-: Inaugural Session · Prof. Debasis Das, Registrar University of Calcutta Dr. Debprasad...

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INTERNATIONAL SEMINAR

“Recent Advances in Chemistry & Material Sciences (2020)”

In Commemoration of the 159th Birth Anniversary of Acharya Prafulla Chandra Ray

Month long Program for August, 2020

Organized by:

Indian Chemical Society

92, AcharyaPrafulla Chandra Road,

Kolkata-700 009, West Bengal, India

Phone: 91-033-2360 9497; Phone & Fax: 91-033-2350 3478

E-mail: [email protected]

Website: https://indianchemicalsociety.com

Platform: Google meet

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Advisory Committee

Professor G. D. Yadav, President

Professor R. D. Kaushik, Vice President

Professor Ashok K Jha, Vice President

Professor Chittaranjan Sinha, Honorary

Secretary

Professor Sudip Kumar Das, Honorary

Treasurer

Professor A C Bhasikuttan, Honorary Editor

Professor Sundargopal Ghosh, Honorary

Editor

Professor ChhandaMukhopadhyay,

Honorary Editor

Professor Suresh C. Ameta, Advisor

Professor Dulal C. Mukherjee, Advisor

Professor (Dr.) D. Banerjea, Advisor

Professor Jai P. Mittal, Advisor

Professor K. B. Pandeya, Advisor

Dr. D. S. Bhakuni, Advisor

Professor Ramesh Chandra, Advisor

Professor Sunil Kumar Talapatra, Advisor

Professor GirjeshGovil, Advisor

Professor M. C. Chattopadhyaya, Advisor

Professor R. N. Prasad, Advisor

ProfessorSukh Dev, Advisor

Professor Samir Biswas, Council Member

Dr. NibeditaChakrabarti, Council Member

Professor Asok Kumar Mallik, Council

Member

Dr. A. Anton Smith, Council Member

Professor K. Mohanan, Council Member

Professor Ch. VenkataRamana Reddy,

Council Member

Professor Sheo Satya Prakash, Council

Member

Professor MahendraNath Roy, Council

Member

Professor Ranjit K. Verma, Council Member

Professor Anand S. Aswar, Council Member

Dr. R. N. Jadeja, Council Member

Dr. R. K. Vatsa, Council Member

Professor K. R. Genwa, Council Member

Dr. RakshitAmeta, Council Member

Professor R. V. Singh, Council Member

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FOREWORD

The Seminar entitled “International Seminar on Recent Advances in Chemistry and Material Sciences (2020)” is being

organized to commemorate the 159th Birth Anniversary of Acharya Prafulla Chandra Ray, the doyen of Chemical Sciences in

India. This is 15th in the series of Symposium, the first one was held in 2006, as a part of Birth day celebration of Acharya

Prafulla Chandra Ray, founder President of the Indian Chemical Society.

The Indian Chemical Society, one of the oldest learned bodies of our national pride was established on May 09, 1924.

Acharya P. C. Ray, after returning from Edinburgh first joined the Presidency College, Kolkata in 1889 and later in 1916,

joined the Department of Chemistry, newly formed University College of Science, University of Calcutta as the Palit Professor

of Chemistry. Acharya Ray was intimately associated with the Indian Chemical Society till the last breath. The school of

chemical research established by Acharya Ray in the University College of Science, where he used to live in the later part of

his life, subsequently spread over the entire country through his many illustrious disciples.Acharya Ray had always strongly

advocated for effective interactions between industries and academia. He himself was the founder of Bengal Chemical and

Pharmaceutical Works Ltd. The development of Chemical and Pharmaceutical industries is one of the important areas to

uncover the job opportunities of Indian youths. “By his own contributions to science, but especially by his personal

influence, Sir Prafulla was, more than anyone else, responsible for the great development of scientific research in India

during the past fifty years.” Nature, 1944, 154, 76.

Acharya Prafulla Chandra Ray was born on August 02, 1861. The Indian Chemical Society solemnly observes this auspicious

day every year in a befitting manner. The programme of the International Seminar includes the publication of the special issue

on Medicinal Chemistry of the Journal of the Indian Chemical Society. This year we are going to observe the 159th Birth

Anniversary of Acharya Ray by organizing a month long International Event entitled “Recent Advances in Chemistry &

Material Sciences (2020)” to be held on August 02, 03, 08, 15, 22 and 29, 2020. The seminar is planned for the full month

of August; inauguration on 2nd August, birthday of Acharya Ray followed by 3rd August and subsequently every Saturday (8/8,

15/8, 22/8 and 29/8/2020) is organized on different themes of Material Chemistry (Convener : Dr. Gourisankar

Roymahapatra, HIT), Organic Chemistry (Convener : Dr. Mijanur Rahaman, CU), Analytical Chemistry (Convener : Dr.

Kamalika Sen, CU) and Physical Chemistry (Convener : Prof. Nikhil Guchhait, CU).

In organizing the Seminar we have received sincere co-operation from every corner, particularly the fellows, and many

organizations for their active participation. We are thankful to all of them. We are also thankful to the Endowment and Invited

speakers whose deliberations, we hope, will certainly elevate the academic standard of the Seminar to a new height, and to

all the distinguished chemists and the participants who responded to our appeal spontaneously in making the Seminar a

grand success, especially to four Conveners who shoulder the problem of organizing the seminar. The untiring efforts of all

the employees of the Indian Chemical Society in making various arrangements of the Seminar are duly acknowledged and

especially to Mr. Biplab Basu for web-platform management. Despite our best efforts there might be some lapses, for which I

sincerely tender my apology.

Professor Chittaranjan Sinha

Convener of the Symposium & Honorary Secretary, Indian Chemical Society

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Programme Details

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Seminar-1 (Day-1)

2nd August (10:00 am – 06:00 pm)(IST)

10:00-10:20 am: Garlanding to Acharya P.C. Ray in Head Quarter

&Address by Prof. G. D. Yadav, President of ICS

10:20-10:30 am: Keynote Address by Prof. D. C. Mukherjee

10:30-10:35 am: Opening of Special Issue of the Journal of Indian Chemical Society

By Prof. Ashutosh Ghosh, Vice-Chancellor, Green University

&

Opening of Book of Abstracts of the International Seminar

By Prof. Debasis Das, Registrar, Calcutta University

10:35-10:55 am: Scientific Address by Prof. Debprasad Chattopadhyay, Guest Editor, JICS

10:55-11:15 am: Scientific Address by Prof. Asit K. Chakraborti, Guest Editor, JICS

11:15-11:25 am: Address by, Prof. Chittaranjan Sinha, Honorary Secretary, ICS

11:25-11:30 am: Vote of thanks by Prof. Sudip K. Das, Honorary Treasurer, ICS

Session- I

Endowment Lectures

Chairman: Prof. G. D. Yadav, President, Indian Chemical Society

11:30 -12:00 am: ‘Acharya J C Ghosh Memorial Award 2018’ Lecture

Professor Uday Maitra, IISc., Bangalore

12.00-12.30pm: ‘Professor P K Bose Memorial Award 2017’ Lecture

Professor S Natarajan, IISc., Bangalore

12:30-1:00 pm: ‘Professor A. K. Chandra Memorial Award 2018’ Lecture

Professor K L Sebastian, IISc., Bangalore

1:00-1:30 pm: ‘Professor P K Bose Memorial Award 2018’ Lecture

Professor Abu T Khan, IIT Guwahati

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Session- II

Poster Presentation & Judgment

1:30-2:30 pm: Video of Poster (5 min duration) will be submitted on or before 27/07/2020, Judges in

different specialized group will judge Followed by online queries

Session- III

Invited Lectures

Chairperson: Prof. Samaresh Bhattacharya, Jadavpur University, Kolkata

2:30-3:00 pm: Prof. J. Otsuki, College of Science and Technology, Nihon University, Tokyo, Japan.

3:00-3.30 pm: Dr. S. S. Katti, Director General ONGC Energy Centre, Delhi.

Session-IV

Award Oral Presentation & Judgment

3:30-5:30 pm: 12 competitors (8 min presentation +2 min discussion)

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Seminar-1 (Day-2)

3rdAugust (10:00 am – 06:00 pm)(IST)

Session-V

Invited Lectures

Chairperson: Dr. Gourisankar Roymahapatra, Haldia Institute of Technology, Haldia

10:00-10:30 am: Prof. Alokesh Bisai, IISER, Kolkata.

10:30-11.00 am: Dr.Santanav Giri, Haldia Institute of Technology, Haldia.

11:00-11.30 am: Dr.Jhimli Bhattacharyya, National Institute of Technology, Nagaland.

11:30-12.00 am: Prof. Chittaranjan Sinha, Head, Department of Chemistry, Jadavpur University

Session- VI

Endowment Lectures

Chairman: Prof. G. D. Yadav, President, Indian Chemical Society

12.00-12.30 pm:‘Dr. Basudev Banerjee Memorial Award 2017’ Lecture

Prof. Swagata Dasgupta, IIT Kharagpur

12:30-1:00 pm:‘Professor D Nasipuri Memorial Award 2018’ Lecture

Prof. S P Goswami, IIEST Shibpur, Howrah

Session- VII

Special Lecture -1

Chairperson: Prof. Susanta Lahiri, SINP, Kolkata

1.00-2.00 pm:Climate Change and Energy & material Sources: Green Chemistry & Engineering in Carbon

Neutral and carbon Negetive Economy

By Prof. G. D. Yadav, President, Indian Chemical Society

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Session- VIII

Endowment Lecture

Chairperson: Prof. G. D. Yadav, President, Indian Chemical Society

2:30-3:30 pm: ‘Acharya Prafulla Chandra Ray Memorial Award’ Lecture, 2018

By Prof. Santanu Bhattacharya, Director, IACS, Kolkata

Session- IX

Industry - Academia Meet

Chairperson: Prof. G. D. Yadav, President, Indian Chemical Society

4:35-5:50 pm: Dignitaries from Industry and Academy

Dr. Amitava Pramanik, IISc, Bangalore

Dr SSV Ramakumar, Indian Oil

Dr Ajit Sapre, Reliance Industries Ltd

Dr Sanjeev S Katti, ONGC Energy Centre

Shri Samir Somaiya, Godavari Biorefineries

Dr Rakesh Bandichor, Dr Reddy’s Lab

Dr Raajshekhar Kinnavar, Rallis.

Session- X

Special Lecture 2

Chairman: Prof. D. C. Mukherjee, Advisor, Indian Chemical Society

5:50-6:20 pm: Dr.Asit K.Chakraborti, Visiting Faculty, IIT Ropar, Punjab

6:20-6:40 pm: Valediction & Feed back

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Seminar-2

8thAugust 2020 (02:00 pm – 10:00 pm) (IST)

Theme: Material Chemistry

Address by Convener: 02:00 pm - 02:05 pm

Address by President ICS: 02:05 pm – 02:15 pm

Session- I

(Invited Lectures)

Chairperson:

Invited talk -1: 02:15 pm – 02:45 pm

“Biomimetic Nanomaterials & Composites: Learning from Nature”

By Prof. Arvind Sinha, CSIR-National Metallurgical Laboratory,

Jamshedpur, India


“Green hydrogen from Proton Exchange Membrane water electrolysis: areview of recent developments in critical

materials and operatingconditions”

By Prof. S. Vasudevan, CSIR - Central Electrochemical Research

Institute, Karaikudi, India


“Polysaccharides/oligosaccharide-based gels as drug carriers”,

By Dr. Sagar Pal, IIT-ISM Dhanbad, India

Session- II

Poster Presentation & Tea Break: 04:00 pm – 05:30 pm

Session- III

(Invited Lectures)

Chairperson: Prof. Surajit Chattopadhyay, Kalyani University

Invited talk -4: 05:30 pm - 06:00 pm (IST)

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“Growth of Semiconductor Quantumdots in Glasses & theirFunctionality as a Photocatalyst for Hydrogen

Production Under SolarLight”

By Dr. Bharat B KaleDirector & DG (A), C-MET, Pune, India.

Invited talk -5: 06:00 pm - 06:30 pm

‘Molecular - ion SIMS: An Innovative Chemical Approach for

Compositional Analysis of Quantum Structures’

By Prof. Purushottam Chakraborty, Adjunct Professor, University of

Pretoria, South Africa.

Invited talk -6: 06:30 pm - 07:00 pm (IST)

“Solid State Technology for the Design of Smart Materials”

By Prof. Javier Ellena, São Carlos Institute of Physics – University of

São Paulo. Av. Trabalhador Sãocarlense, São Carlos/SP - Brazil.


“In silico optimization of antimicrobial peptide enables combinatorial

exploration for novel compounds with anti-infectious activities”

By Prof. Octavio Luiz Franco, Centro de Análises Proteômicas e

Bioquímicas, Pós-Graduação em Ciências Genômicas e Biotecnologia

Universidade Católica de Brasília, Brasília-DF, Brazil

Session- IV

Oral Presentation: 07:30 pm – 09:30 pm

Address by Secretary ICS: 09:30 pm - 09:35 pm

Vote of Thanks by Convener: 09:35 pm - 09:40 pm

Convener: Dr. Gourisankar Roymahapatra,

Haldia Institute of Technology,

E-mail: [email protected]; M – 7001316547

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Seminar-3

15th August 2020 (10:00 am – 09:00 pm) (IST)

Theme: Orthogonality in Organic, Polymer and SupramolecularChemistry

Session- I

Address by Convener: 10:00 am - 10:05 am

Address by President, ICS: 10:05 am – 10:15 am

Poster Presentation: 10:15 am – 12:10 pm


Lunch Break: 01:10 pm – 02:00 pm

Session- II

(Invited Lectures)

Address by Convener: 02:00 pm - 02:05 pm

Address by Prof. D C Mukherjee

Advisor, ICS: 02:05 pm – 02:15 pm

Chairperson: Professor D C Mukherjee, Advisor, Indian Chemical Society

Invited talk -1: 02:15pm – 02:45 pm

“Orthogonal Chemistry: Recent Applications in Analyte Detection”

By Prof. Amit Basak, IIT Kharagpur, India


“Visible Light Developments of Tribromides- A key to

Dearomatisation”

By Dr. Debayan Sarkar, NIT Rourkela, Odisha, India

Session- III


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Session- IV

(Invited Lectures)

Chairperson: Dr. Samit Guha, Jadavpur University, Kolkata

Invited Talk-3: 4.55 pm-5.25 pm

“Systems Chemistry: How complexity emerges from chemistry?”

By Dr. Dibyendu Das, IISER, Kolkata India


“Reactive Self-Assembly of Polymers and Proteins for Therapeutic

Applications”

By Prof. S. Thayumanavan, University of Massachusetts, Amherst,

USA


“Macromolecular Assemblies by Orthogonal Halogen Bonding and

Other, Directional Interactions”

By Dr. Anindita Das, IACS, Kolkata, India


“Solving Society’s Grandest Challenges using Synthetic Biology”

ByProf. Vikramaditya G Yadav, University of British Coloumbia,

Canada

Session- V


Address by Secretary ICS: 08:15 pm - 08:20 pm

Vote of Thanks by Convener: 08:20 pm - 08:25 pm

Convener: Dr. Mijanur Rahaman Molla,

University of Calcutta, E-mail: [email protected]; M – 9239018512

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Seminar-4

22nd August 2020 (10:00 am – 08:00 pm) (IST)

Theme: Horizons of Separation Chemistry

Session- IA

Session- IB

Address by Honorary Secretary: 10:00 am - 10:05 am

Address by Convener: 10:00 am - 10:05am

Oral Presentation: 10:05 am-12:30 pm

Poster Presentation: 12:30 pm-01:30 pm

Oral Presentation: 10:05 am-12:30 pm

Poster Presentation: 12:30 pm-01:30 pm

Lunch Break: 01:30pm – 02:00pm

Session- II

(Inaugural Lecture)

Address by the President, ICS

Chairperson: Professor D C Mukherjee, Advisor, Indian Chemical Society

Inaugural Lecture:02:05pm – 02:25 pm

By Prof. S. M. Khopkar, Indian Institute of Technology Bombay, India

Session- III

(Invited Lectures)

Chairperson: Professor Susanta Lahiri, Saha Institute of Nuclear Physics, Kolkata

Invited Talk -1:02:30 pm – 03:00 pm

“Processes based on ionicliquidsto purify biopharmaceuticals”

By Dr.Mara G. Freire, CICECO - Aveiro Institute of Materials, Chemistry Department,

University of Aveiro, 3810-193 Aveiro, Portugal

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Invited Talk -2:03:05 pm - 03:35 pm

“Separating nuclear isomers and isotopes of the same element – the comeback of hot atom chemistry?”

By Dr. Antonia G. Denkova, Radiation Science and Technology, Delft University of

Technology, Netherlands.


“Use of extraction chromatography for the selective separation of elements”

By Dr.Aude Bombard, TrisKem International, 3 rue des Champs Geons, 35170 Bruz,

FRANCE

Session- IV

Poster Presentation: 04:15 pm - 05:30 pm

Session- V

(Invited Lecture)

Chairperson: Professor Jayati Datta, Heritage Institute of Technology, Kolkata


“Engineering an aqueous energy dense MnO2 Zn battery to challenge Li ion dominance”

By Dr. Gautam G Yadav, Advanced Battery Research, Urban Electric Power, New York,

USA

Address by Honorary Secretary, ICS:06:00 pm - 06:05 pm

Vote of Thanks by Convener:06:05 pm - 06:10 pm

Convener: Dr.Kamalika Sen,

Department of Chemistry, University of Calcutta E-mail: [email protected]; M –916329514

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Seminar-5

29th August 2020 (10:00 am – 08:00 pm) (IST)

Theme: Recent Trend in Physical Chemistry Research

Session- IA

Session- IB

Address by Honorary Secretary: 10:00 am - 10:05 am

Address by Convener: 10:00 am - 10:05am

Poster Presentation: 10:05 am-12:30 pm

Oral Presentation: 12:30 pm-01:30 pm

Poster Presentation: 10:05 am-12:30 pm

Oral Presentation: 12:30 pm-01:30 pm

Lunch Break: 01.30 pm – 02.00 pm

Session- II

Chairperson: Professor A C Bhasikuttan, BARC, Mumbai

Invited talk - 1:02:00 pm – 02:30 pm

“Linear Free Energy Relationships with particular reference to MnIIcatalyzedPeriodate

Oxidation of Aromatic Amines”

By Prof. R. D. Kausik, GurukulKangri University, India

Invited talk -2:02:35 pm – 03:05 pm

“Exploration on the comparative binding aspects of the bio-flavonoid fisetin with triple and double

helical forms of RNA”

By Prof. SumanDas, Department of Chemistry, Jadavpur University, India

Invited talk - 3:03:10 pm - 03:40 pm

“A stochastic algorithmic approach towards the study of reaction path construction and

coulomb explosion in clusters”

By Prof. Pinaki Chaudhury, Department of Chemistry, University of Calcutta, India


“From fluorogens to fluorophores through aggregation, complexation and crystalization”

ByProf. Anindya Dutta, Department of Chemistry, IITBombay, India

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Session- III

Oral/Poster Presentation: 04:20 pm - 05:00 pm

Session- IV

Chairperson: Prof. Debasis Mukhopadhyay, University of Calcutta


“Electrocatalytic CO2 reduction: Overview, Challenges and Perspectives”

By Dr.SoumyabrataRoy, Post Doctoral Research Fellow, Ajayan Research Group, Materials Science

& Nanoengineering, MEB 125, Rice University, USA

Invited talk -6:05:35 pm - 06:05 pm

“Surface modifying macromolecules (SMMs): Synthesis, characterizations, and applications for polymeric membrane materials” By Prof. Dipak Rana, Industrial Membrane Research Institute, Department of Chemical and Biological Engineering, University of Ottawa, Ottawa, Canada

Valedictory Session

Address by the President, ICS: 06:10 pm - 06:30 pm

Address by the Honorary Secretary, ICS: 06:30 pm - 06:50 pm

Vote of Thanks by Convener:06:50 pm - 06:55 pm

Convener: Prof. Nikhil Guchhait,

Department of Chemistry, University of Calcutta, India E-mail: [email protected]; M – 8013468082

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List of Contents

1. Endowment Lectures (Page 19 - 26)

2. Invited Lectures (Page 27 - 47)

3. Award Papers

Award Oral (Page 49 - 85)

Award Poster (Page 87 - 97)

4. Contributory Papers

Oral Presentation (Page 99 - 168)

5. Contributory Papers

Poster Presentation (Page 170 - 219)

6. Acknowledgement (Page 220)

7. Author Index (Page 221-223)

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Acharya P. C. Ray Memorial Award Lecture (2018)

How to Sense Sugars?

Santanu Bhattacharya

Indian Association for the Cultivation of Science, Kolkata &Indian Institute of Science,

Bangalore

[email protected]

Carbohydrates or Sugar molecules have a potential information content that is several orders of magnitude higher than any

other biological macromolecule.

This variety of carbohydrate structures results from the wide range of different monosaccharides (> 100 if all variations are

considered) from which they are composed, and the different ways in which these monomers can be glycosidically joined.

Thus, even a small number of monosaccharide units can provide a large number of different oligosaccharides (also termed

glycans), including branched structures (a unique feature amongbiomolecules).

Not only sugar is important for manifestation of metabolic disorders or other endocrinology related issues, various sugar

derivatives are also important drugs and drug intermediates.

Accordingly it is important to develop rational design of sugar molecular sensors. In this lecture, I shall present the scope of

this research activity with some of our recent work.

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Acharya J C Ghosh Memorial Lecture (2018)

Nanostructured Materials fromBile Salt derived Metallohydrogels

Uday Maitra

Department of Organic Chemistry

Indian Institute of Science, Bangalore 560 012, India

[email protected]

Abstract –Functional molecular gels have been extensively investigated owing to their potential applications in various fields

such as biomaterials, sensing, optoelectronics etc. Among many known gelators, many bile acid derivatives have been shown

to form self-assembled fibrillar networks (SAFINs), eventually leading to the immobilization of solvent molecules around them.

We have recently synthesized a variety of metallogels using bile salts. The use of these novel soft materials for the design of

nanostructured materials, luminescent hydrogels and enzyme/biomolecular sensors will be presented in this lecture.

Yellow photoluminescent CdSe QDs prepared at room temperature

Recent Publications

Gorai, T.; Maitra, U. J. Mater. Chem. B2018, 6, 2143-2150; Chakrabarty, A.; Raffy, G.; Maity, M.; Gartzia‐Rivero, L.; Marre,

S.; Aymonier, C.; Maitra, U.; Del Guerzo, A. Small, 2018, 1802311; Chatterjee, S.; Maitra, U. Nanoscale, 2017, 9, 13820-

13827; Gorai, T.; Maitra, U. Angew. Chem. Int. Ed. Engl.2017, 56, 10730-10734; Chatterjee, S.; Maitra, U. J. Mater. Chem. C,

2017, 5, 4977-4984; Gorai, T.; Maitra, U. ACS Sens., 2016, 1, 934–940; Chakrabarty, A.; Marre, S.; Landis, R.F.; Rotello,

V.M.; Maitra, U.; Del Guerzo, A.; Aymonier, C. J. Mater. Chem. C, 2015, 3, 7561-7566; Laishram, R.; Bhowmik, S.; Maitra, U.

J. Mater.Chem.C, 2015, 3, 5885-5889; Maity, M., Maitra, U., J. Mater.Chem.A., 2014, 2, 18952; Bhowmik, S., Gorai, T.,

Maitra, U. J. Mater.Chem. C., 2014, 2, 1597-1600; Bhowmik, S., Maitra, U. Chem. Commun,2012, 48, 4624; Chakraborty, A.;

Maitra, U.; Das, A.D. J. Mater.Chem., 2012, 22, 18268; Banerjee, S., Kandanelli, R., Bhowmik, S., Maitra, U. Soft Matter2011,

7, 8207.

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Professor P K Bose Memorial Lecture (2018)

Exploration of Nitro-alkene in Organic Synthesis

Abu T. Khan

Department of Chemistry

Indian Institute of Technology Guwahati, Guwahati-781 039, Assam, India.


Nitro-alkene or nitro-olefin is an extremely useful and potential synthetic precursor,and it has been extensively used in organic

synthesis particularly for construction of heterocycles.1 Owing to its remarkable chemical reactivity, it is also called as

‘Synthetic Chameleon.’ These are used in Michael-Addition reaction,2a Diels-Alder reaction,2b Morita-Baylis–Hillman

reaction,2c Friedel-Craft alkylation2d andStetter reaction.2e Inthis lecture,some of our efforts toward synthesis of new organic

molecules will be discussed using nitro-alkene as key building block.3

Nitroalkene/Nitro-olefin New Organic Molecules

References

1. A. Z. Halimehjani, I. N. N. Namboothiri, S. E. Hooshmand, RSC Adv., 2014, 4, 51794 and references therein.

2. (a)T. Arai, A. Mishiro, N. Yokoyama, K.Suzuki, H. Sato, J. Am. Chem. Soc. 2010, 132, 5338. (b) N. Ono, H. Miyake, A.

Kamimura, A. Kaji, J. Chem. Soc., Perkin Trans. 1,:1987, 1929. (c) M. Dadwal, R. Mohan, D. Panda, S. M. Mobin, I. N. N.

Namboothiri, Chem. Commun., 2006, 338. (d) T-Y. Liu, H-L.Cui, Q. Chai, J. Long, B-J. Li, Y. Wu, L-S. Ding, Y-C. Chen,

Chem. Commun. 2007, 2228. (e)D. A. DiRocco,K. M. Oberg, D. M. Dalton, T. Rovis, J. Am. Chem. Soc.2009. 131, 10872.

3. (a) S. Ali, R. Gattu, V. Singh, S. Mondal, A. T. Khan, G. Dubey, P. V. Bharatam,Org. Biomol. Chem. 2020, 18, 1785, (b) R.

Gattu, S. Mondal, S. Ali, A. T. Khan, Org. Biomol. Chem. 2019, 17, 347. (c) R. Gattu, S. Bhattacharjee, K. Mahato, A. T.

Khan, Org. Biomol. Chem., 2018, 16, 3760. (d) S. Bhattacharjee, R. Gattu, A. T. Khan, ChemistrySelect, 2018, 3, 4760. (e) K.

Mahato, P. R. Bagdi, A. T. Khan, Org. Biomol. Chem. 2017, 15, 5625. (f) S. Bhattacharjee, A. T. Khan, Tetrahedron Lett.,

2016, 57, 1831. (g) S. Bhattacharjee, A. T. Khan, Tetrahedron Lett., 2016, 57, 2994. (h) P. R. Bagdi, R. Sidick Basha, M. Lal,

A. T. Khan, Chem. Lett., 2013, 42, 939. (i) A.T. Khan, M. Lal, P. R. Bagdi, R. Sidick Basha, P. Saravanan, S. Patra,

Tetrahedron Lett., 2012, 53, 4145.

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Professor A K Chandra Memorial Lecture (2018)

Energy Transfer in Nano-sized Systems

K.L. Sebastian

Indian Institute of Technology Palakkad

Palakkad 678557

Abstract: We discuss the process of resonance energy transfer from fluorescent dye molecules that serve as energy donors

to three types of energy acceptors namely, a metal nanoparticle, a graphene sheet and carbon nanotubes. In all the cases,

we evaluate the rate of energy transfer and study its dependence on the distance between the donor and the acceptor. For

the case of energy transfer from the dye fluorescein to a 1.4 nm diameter gold nanoparticle, we find that the rate follows the

usual Forster type R-6 distance dependence at large distances. But, at short distances, the rate follows an R-n dependence

with n>6. This is attributed to the effect of quadrupolar and octupolar modes of excitation of the nanoparticle. For the case of

energy transfer from the dye pyrene to graphene, we find a (distance)-4 dependence of the rate. Our analysis implies that for

the case of pyrene kept at a distance z above the plane of graphene, fluorescence quenching can be experimentally

observed up to a distance of 300 Å, which is quite large in comparison with the traditional FRET limit (100 Å). Recent

experiments have in fact observed fluorescence quenching of dyes near graphene. Further, the process has been found to be

very useful in fabricating devices based on graphene, in eliminating fluorescence signals in resonance Raman spectroscopy

and in visualising graphene sheets based on fluorescence quenching microscopy. In the case of transfer to the single-walled

carbon nanotubes, we find both exponential and (distance)-5 behaviour. For the case of metallic nanotubes, when the

emission energy of the fluorophore is less than a threshold, the dependence is exponential. Otherwise, it is (distance)-5. For

the case of semiconducting nanotubes, we find that the rate follows an exponential dependence if the amount of energy that

is transferred can excite only the excitonic transition of the tube. However, if any other band gap transition is allowed, the rate

follows a (distance)-5 dependence. For the case of transfer from pyrene to a nanotube, we find that the rate has a (distance)-

5 dependence and energy transfer is appreciable up to a distance of 175 Å. Finally we predict that if one dopes graphene, the

distance dependence has a crossover from power law to exponential, and this has been confirmed recently. We have

calculated the quenching of vibrational excitations and calculated the linewidth for electronic and vibrational excitations of

molecules in the vicinity of graphene, using a Fano type approach.

23

Professor D. Nassipuri Memorial Award Lecture (2018)

Total Asymmetric Synthesis of the New Stereoisomer(2'R, 3'R) of the

quinoxaline analogue and the dephospho Form Z of the molybdenum

cofactor (Moco) and a New synthesis of its Form B along with a series of New pterin

dithiolenes

Shyamaprosad Goswami

Indian Institute of Engineering Science & Technology Shibpur, Howrah

Molybdenum is the only second row transition metal with important biological functions. Almost all living species use Mo in

active centres of specific redox active enzymes called molybdo enzymes. Form A, Form B, urothione and Form Z are the

organic components and the isolable oxidative degradation products of the unstable free molybdenum cofactor(Moco). In my

lecture, I will discuss our contribution in this area of human natural cofactor synthesis along with the different pterin

components as its precursors and our discovery of cyclic dihydroxy acetone phosphate(CDHAP) itself and its chemical

synthesis. Dihydroxyacetone phosphate (DHAP) is well known and used in the synthesis of natural sugars and the acyl-

DHAP is found to be an important precursor for membrane glycerol ethers which are highly concentrated in excitable tissues

such as brain, nurves and tissues.

3',5'-Cyclic adenosine mono phosphate(cAMP) and 3',5'-cyclic guanosine monophasphate (cGMP) regulate cell to cell

communication process.

24

Professor P K Bose Memorial Lecture (2017)

The Role of Transition Elements in the Design of New Inorganic Pigments:

The Importance of Coordination Geometry

Srinivasan Natarajan

Framework Solids Laboratory, Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560

012, India, Email: [email protected]

Crystalline inorganic oxides displaying bright colours attracted much attention from early days for application as

gemstones and pigments. Ruby (Cr3+ doped Al2O3) and Emerald (Cr3+ doped Be3Al2(SiO3)6) and Azurite (Cu3(CO3)2(OH)2),

Han blue (BaCuSi2O6) and Turquoise (CuAl6(PO4)4(OH)8·4H2O) for example found application as gemstones and pigments

since ancient times.[1] In addition to the naturally occurring gemstones and pigments, several man-made (synthetic) coloured

solids were also developed to meet the demand.[1] Y2BaCuO5, copper substituted apatites, Mn(III) substituted YInO3 and

CaTaO2N – LaTaON2 pervoskites are some of the more recent pigment materials for green, blue, red-yellow colours.[2,3] A

scientific inquiry into the origin of colours of inorganic solids is essential for a rational design and synthesis of coloured

materials. While there are several causes for the colour of solids, the main factor that causes colour in an inorganic oxide

containing transition metal ion is the electronic transitions within the partially filled d-states arising from the ligand field effects

around the transition metal ion. Octahedral and tetrahedral are the most common geometries where the colour and optical

absorption spectra of all the transition metal ions have been well-documented. Transition metal ions in less symmetric

geometries such as distorted octahedral and five-fold coordinated (square pyramidal and trigonal bipyramidal) geometries

produce colours different from those in regular octahedral and tetrahedral geometries in materials. The present talk would

address some of these issues and our efforts towards identifying new chromophores employing transition metal chemistry.[4-6]

Acknowledgements: Thanks are due to Science and Engineering Research Board (SERB), Government of India for the award

of a research project and JC Bose National Fellowship.

[1] P. Ball, Bright Earth:Art and the Invention of Color, The University of Chicago Press, Chicago, 2001.

[2] P.E. Kazin, M.A. Zykin,Y.V. Zubavichus, O.V. Magdysyuk, R.E. Dinnebier, and M. Jansen, Chem. –European J., 2014,

20,165; M. Jansen, H. P. Letschert, Nature, 2000, 404, 980.

[3] A. E. Smith, H. Mizoguchi, K. Delaney, N. A. Spaldin, A. W. Sleight, M. A. Subramanian, J. Am. Chem. Soc., 2009, 131,

17084.

25

[4] S. Tamilarasan, D. Sarma, S. Natarajan and J. Gopalakrishnan, Inorg. Chem., 2013, 52, 5757; S. Tamilarasan, D. Sarma,

M.L.P. Reddy, S. Natarajan, J. Gopalakrishnan, RSC Advances, 2013, 3, 3199; S Tamilarasan, S Laha, S Natarajan, J

Gopalakrishnan, J. Mater. Chem. C, 2015, 3, 4794; S. Tamilarasan, S. Laha, S. Natarajan and J. Gopalakrishnan, Eur. J.

Inorg.Chem., 2016, 288; S. Tamilarasan, S. Natarajan and J. Gopalakrishnan, Chemistry – An Asian J. (2016), 11, 3234.

[5] S. Laha, S. Tamilarasan, S. Natarajan and J. Gopalakrishnan, Inorg. Chem., 2016, 55, 3508; S. Laha, S. Natarajan and J.

Gopalakrishnan, Eur. J. Inorg. Chem., 2016, 288 – 293.

[6] A. Bhim, S. Laha, J. Gopalakrishnan and S. Natarajan, Chemistry – An Asian J, 2017, 12, 2734 – 2743; Inorg. Chem.,

2019, 58, 8560 – 8569; European. J. Inorg. Chem., 2018, 2277 – 2284

26

Dr. Basudev Banerjee Memorial Lecture (2017)

Oxidative Damage of Proteins: Role of Antioxidants

Dr. Swagata Dasgupta, FASc

Professor, Department of Chemistry, Indian Institute of Technology Kharagpur,

Kharagpur INDIA 721302; e-mail: [email protected]

Oxidative damage of proteins can lead to loss of protein function due to amino acid modifications. Tryptophan oxidation and

dityrosine (DT) formation are examples of common modifications. Ribonuclease A (RNase A) dimerization occurs due to the

cross-linkageformed by C-C coupling between two tyrosyl radicals [1].The DT cross-linkage has a strong fluorescence

emission at ~410 nm and thereby behaves as a fluorophore and serves as a biomarker of oxidative stress since it is detected

in patients with age related disorders like Alzheimer’s disease.The presence of suitable antioxidants, e.g. naturally occurring

polyphenols or fullerene based compounds have been found to scavenge free radicals and lower oxidative stress in RNase A

[2]. Encapsulation of polyphenols within β-cyclodextrin (β-CD) or in chitosan nanoparticles not only increase the stability and

bioavailability of the compounds but also prevent DT formation more efficiently as compared to free polyphenols [3.4].

Environmental UV radiation under oxidative stress is also one of the key reasons for the in vivo protein damage/oxidation that

could ultimately lead to several diseases. In vivo/in vitro factors like ultraviolet (UV) radiation, pH, temperature and exposure

to chemical agents result in a disruption of the structural integrity of the proteins in the eye lens. The transparency of the

human eye lens depends on the solubility and stability of the crystallins, the structural proteins of the eye lens. Amino acid

modifications and/or aggregation in human γ-crystallin and other members of the crystallin superfamily are the main causes of

cataract formation. The extent of Trp residue oxidation of the cataractous human γ-crystallin in the presence of the major

green tea polyphenol, (-)epigallocatechin gallate (EGCG) has been investigated. Green tea polyphenols have also been

checked to evaluate their potency against the damage of recombinant human γB-crystallin that has been overexpressed in E.

coli. [5-7]. The results show that the presence of green tea polyphenols has potential benefits against damages caused due to

oxidative stress in proteins.

References

1. Kanwar,R., Balasubramanian, D. (2000) Biochemistry39, 14976-14983.

2. Roy, P., Bag,S., Chakraborty,D., Dasgupta, S. (2018) ACS Omega3, 12270−12283.

3. Roy,P., Dinda, A.K., Chaudhury, Dasgupta, S. (2018) Biopolymers109, 1-15.

4. Roy, P., Parveen. S., Ghosh,P., Ghatak,K., Dasgupta, S.(2019) Biochimie162, 185-197.

5. Chaudhury,S., Ghosh, I., Saha, G., Dasgupta S. (2015)Intl. J. Biol. Macromol.77, 287-292.

6. Chaudhury S.; Bag S.; Bose M.; Das A. K.; Ghosh A. K.; Dasgupta S. (2016) Mol Biosyst. 12, 2901-2909.

Chaudhury S.; Dutta A.; Bag S.; Biswas P.; Das A. K.; Dasgupta S. (2018) Spectrochim. Acta A, 192, 318-327.

27

Invited Lecture

Photo/Electro-Active Metal-Ligand Coordination-Directed Self-Assembly

Joe Otsuki

Department of Materials and Applied Chemistry, College of Science and Technology, Nihon University,

Tokyo, Japan

Coordination interaction is one of the most useful tools for assembling molecules owing to its directionality and a wide range

of strengths and kinetics of bonding. We are interested in constructing photo/electro-active supramolecular devices. To reach

the goal, we need to learn how the component molecules assemble themselves into functional supramolecular organizations.

Axial coordination of pyridyl ligands to zinc porphyrin or chlorophyll derivatives is a simple and versatile interaction to

construct porphyrin-based supramolecular species [1]. We have shown that zinc chlorophyll derivatives tethering a pyridyl

moiety self-assemble into higher-order structures [2]. In the solid-state, linear, polymeric structures are favored while in

solution closed cyclic structures are preferred. We introduced an electron acceptor (fullerene) to this cyclic motif to realize a

light-harvesting antenna/charge separation system, in which charge separation takes place in the 100% quantum yield [3].

More recently, we introduced an electron donor (ferrocene) to construct a complementary light-harvesting/charge separation

system, in which a rare reductive quenching is involved.

Another topic is based on our finding that a pentacopper metallacrown complex spontaneously forms from a mixture of

copper(II) salt and acetylacetone dioxime [4]. In the resulting complex, acetylacetone dioxime has been transformed into a

trioxime. We have subsequently found that a variety of mixtures of 1,3-dione dioxime and copper(II) salt result in multicopper

complexes, in many cases of which the ligand has been transformed into different compound from the feed solution.

In the seminar, I will discuss about the potential of photo- and electro-active (supra)molecule-based materials and devices

taking examples from our laboratory including those mentioned above.

[1] J. Otsuki, J. Mater. Chem. A2018, 6, 6710–6753. [2] Y. Shinozaki, G. Richards, K. Ogawa, A. Yamano, K. Ohara, K.

Yamaguchi, S. Kawano, K. Tanaka, Y. Araki, T. Wada, J. Otsuki, J. Am. Chem. Soc.2013, 135, 5262–5265. [3] Y. Shinozaki,

K. Ohkubo, S. Fukuzumi, K. Sugawa, J. Otsuki, Chem. Eur. J.2016, 22, 1165–1176. [4] J. Otsuki, T. Sekine, Y. Kida, Y.

Shinozaki, S. Kobayashi, T. Tamura, K. Sugawa, I. Yoshikawa, H. Houjou, H. Yoshikawa, A. Tsukamoto, Dalton Trans.2017,

46, 2760–2764.

28

Hydrogen: The Ultimate Carbon-Free Energy Option

and its production using thermochemical cycles

Dr. D. Parvatalu and Dr. Sanjeev Katti*

ONGC Energy Centre, Delhi - 110092 INDIA

While the current world economy is based on fossil fuels, their limited existence coupled with environmental concerns and

global warming shift the focus to green and clean renewable fuels. However, the popular renewables like Solar, Wind,

Geothermal, Hydro-power, etc., cannot reach on their own, the bench mark set up by fossil fuels in terms of their round the

clock-availability, affordability, and volumes. Hydrogen, an energy carrier, is one of the potential answers as it can be

produced using virtually all possible primary energy sources in a clean and green way. Hydrogen generation by

thermochemical water splitting, photo-chemical/photo-electrochemical water splitting processes using solar energy source is

one such example for emerging areas of research interest in recent times. Hydrogen generation using Water Electrolysis is

significantly more expensive than the bench marked SMR-hydrogen production, in view of its total reliance on electricity. The

issue is the development of an affordable technology to meet large scale future energy needs by employing green and clean

technology processes for hydrogen production. Also, the storage and transportation of hydrogen pose significant challenges.

ONGC Energy Centre (OEC) has been pursuing Research, Development and Demonstration (RD&D) in a collaborative

consortium mode with several leading centers of excellence in India (ICT, IIT-D, CSIR-IIP, ARCI, CSIR-CSMCRI, BITS-Goa)

to develop Thermochemical Water Splitting processes as they have potential for large scale generation of hydrogen in a clean

and green manner. OEC is actively working on development of Iodine-Sulfur cycle at 900oC and Copper-Chlorine cycle at

550oC. OEC & ICT have successfully completed the development of a new patented Cu-Cl cycle at mini-pilot scale. Recently,

the closed loop I-S cycle demonstration was done in a quartz/glass set up. Demonstration of the open loop I-S process is in

advanced stages. Several equipment and materials required for Cu-Cl and I-S cycles have also been designed and

developed. The current focus of work is on the improvement in process, development of materials used in construction of

reactors and electrodes, membranes for electrochemical processes and gas separations, catalysts, high temperature

corrosion testing and integration of heat source with the thermo-chemical cycles. In addition, a novel method for storage of

hydrogen is being developed. We have also initiated some work on Hydrogen Fuel cell program in collaboration with CSIR-

CGCRI.

We believe hydrogen will play a major role in the world energy needs in view of its flexibility as a fuel and versatility to make

use of wide range of available energy sources for its generation.

29

Drug Discovery in the Context of Sustainable Chemistry Development

Asit K. Chakraborti*

Department of Chemistry,

Indian Institute of Technology-Ropar, Rupagar, Punjab 140001, India

*e-mail:[email protected]; [email protected]; [email protected]

Sustainability underpins the advancement of modern science. Towards this endeavour, recent past has witnessed notable

advancement in organic synthesis, that holds central stage of drug discovery.1 These are resulting a continuum enrichment

of the synthetic tool box of medicinal chemistry2 in compliance with sustainable development.3 However, these newly

developed synthetic methodologies are poorly reflected in medicinal chemistry practices4 that restricts the discovery phase

within a narrow chemical and a resultant limited IP (Intellectual Property) space. These urge the integration of the modern

synthetic methodologies for sustainable medicinal chemistry research.5The present discussion would involve the sustainable

approaches through induction of the newly developed synthetic methodologies6 to generate new therapeutic leads7 and

further optimization.8

References:

1. M. MacCoss, T. A. Baillie, Science, 2004, 303, 1810.

2. S. D. Roughley, A. M. Jordan, J. Med. Chem. 2011, 54, 3451.

3. P. Tundo, P. Anastas, D. S. Black, J. Breen, T. Collins, S. Memoli, J. Miyamoto, M. Polyakoff, W. Tumas, Pure Appl. Chem.

2000, 72, 1207.

4. D. G. Brown, J. Boström, J. Med. Chem. 2016, 59, 4443.

5. M. C. Bryan, B. Dillon, L. G. Hamann, G. J. Hughes, M. E. Kopach, E. A. Peterson, M. Pourashraf, I. Raheem, P. Richardson,

D. Richter, H. F. Sneddon, J. Med. Chem. 2013, 56, 6007.

6. S. V. Chankeshwara, A. K. Chakraborti, Org. Lett. 2006, 8, 3259. G. L. Khatik, R. Kumar, A. K. Chakraborti, Org. Lett. 2006,

8, 2433.A. K. Chakraborti, S. Rudrawar, K. B. Jadhav, G. Kaur, S. V. Chankeshwara, Green Chem. 2007, 9, 1335. N. Parikh,

D. Kumar, S. Raha Roy, A. K. Chakraborti, Chem. Commun. 2011, 47, 1797.

7. K. Seth, S. K. Garg, R. Kumar, P. Purohit, V. S. Meena, R. Goyal, U. C. Banerjee, A. K. Chakraborti, ACS Med. Chem. Lett.

2014, 5, 512.P. Shah, T. M. Dhameliya, R. Bansal, M. Nautiyal, D. N. Kommi, P. S. Jadhavar, J. Padma Sridevi, P.

Yogeeswari, D. Sriram, A. K. Chakraborti, Med. Chem. Commun. 2014, 5, 1489.S. Pancholia, T. M. Dhameliya, P. Shah, P.

S. Jadhavar, J. Padma Sridevi, P. Yogeshwari, D. Sriram, A. K. Chakraborti, Eur. J. Med. Chem. 2016, 116, 187. T. M.

Dhameliya, R. Tiwari, A. Banerjee, S. Pancholia, D. Sriram, D. Panda, A. K. Chakraborti, Eur. J. Med. Chem. 2018, 155, 364.

8. K. Seth, P. Purohit, A. K. Chakraborti, Org. Lett.2014, 16, 2334; P. Purohit, K. Seth, A. Kumar, A. K. Chakraborti, ACS

Catal.2017, 5, 2452.B. V. Pipaliya, A. K. Chakraborti, J. Org. Chem. 2017, 82, 3767.

30

BIOMIMETIC MATERIALS : LEARNING FROM NATURE

Arvind Sinha

CSIR-National Metallurgical Laboratory, Jamshedpur 831007, India

Email: [email protected]

Abstract

Biomimetics is the abstraction and application of biological principles into human-made technologies in general and materials

science and technology, in particular. Bioinspired materials evolved from the inspirations derived from natural organisms

exhibiting multi-functionality, sustainability and sophistication in its structure property correlations etc.Stringent microstructral

control manifested by structural materials produced by nature could be explained on the basis of underlying supramolecular

matrix and its specific molecular recognition, leading to controlled nucleation and growth of a specific crystal structure for a

particular functionality.

An integration of the nature based concepts with modern science and engineering could lead us to design and develop

different functional nano materials and structures for various engineering application. My talk will demonstrate that, how by

mimicking a matrix mediated biomineralization process of nature, we could synthesize and commercialized biomimetic

functional nanocomposites in different forms, exhibiting stringent microstructural control and designed bioactivity as required

for scaffold based of bone tissue engineering.

31

Solid State Technology for the Design of Smart Materials

Javier Ellena

São Carlos Institute of Physics – University of São Paulo.Av.Trabalhador Sãocarlense, 400 - CP 369,

CEP 13560 570 - São Carlos/SP - Brazil.


Crystal engineering has become a rich discipline whose success requires an iterative process of design, synthesis,

experimental solid-state characterization and computational methods, Taylor-made proprieties. By focusing on molecular

recognition events during nucleation and growth, we have discovered new ways to control the internal structure of crystals

and the production of materials with useful physical, chemical as well as technological properties. This vast area of research

that allows the design of functional materials with specific properties ranges from Metal-organic frameworks (MOFs) and

coordination polymers (CP) to Pharmaceutical materials.

MOFs and CPs, for example, are hybrid porous crystalline materials formed by metal centers and organic linkers. Throughout

the last years, all kinds of metals and ligands have been used in the synthesis of these materials, to give rise to the wide

range of different networks, architectures and topologies. The great importance of these compounds lies in the various

properties that they can have due to modification of their structural components. Among the most important properties include

gas adsorption, photoluminescence,1 materials for ommunication,2 light emitting diodes,3 heterogeneous catalysis, magnetic

devices,4,5 chemical sensors, 1a,6 contrast agents7 and drug administration.8 Research in this area involves synthetic

methodologies, characterization and evaluation techniques with multiple properties, allowing interdisciplinary work and the

participation of different actors in the scientific society. The strategic expansion of the materials science research area involve

the multiple applications from waste treatment to the medical field, form the storage of hydrogen fuel to the solar energy

devices.

In the same way, solid-state technologies have been also used to solve one of the main problems affecting developing

countries, such as the influence of high drug costs on government public health policies as well as drug quality control.

Within this broad framework, this seminar will discuss the application of solid-state technology methods for the synthesis,

design and development of supramolecular of new functional materials of the most diverse three-dimensional topologies

types and technological properties.

References

(1) (a) D'Vries, R. F.; Alvarez-Garcia, S.; Snejko, N.; Bausa, L. E.; Gutierrez-Puebla, E.; de Andres, A.; Monge, M. A. Journal of

Materials Chemistry C2013, 1, 6316; (b) D'Vries, RF; Gomez, GE; Mondragon, LP; Onna, D; Barja, BC; Soler-Illia, GJAA;

Ellena, J. Data In Brief, 2019, 27, 104709; (c) Gomez, G. E.; Kaczmarek, A. M.; Van Deun, R.; Brusau, E. V.; Narda, G. E.;

Vega, D.; Iglesias, M.; Gutierrez-Puebla, E.; Monge, M. Á. Eur. J. Inorg. Chem.2016, 2016, 1577.

(2) He, H.; Ma, E.; Cui, Y.; Yu, J.; Yang, Y.; Song, T.; Wu, C.-D.; Chen, X.; Chen, B.; Qian, G. Nat Commun2016, 7.

(3) Nascimento Neto, J.A.; Valdo, A.K.S.M.; Silva, C.C. da; Guimarães, F.F.; Queiroz Jr. L.H.K.; Maia, L.J.Q. de Santana, R.C.;

Martins, F.T. J. Am. Chem. Soc.2019, 141, 8, 3400–3403.

(4) D’Vries, R. F.; Iglesias, M.; Snejko, N.; Gutiérrez-Puebla, E.; Monge, M. A. Inorg. Chem.2012, 51, 11349.

32

(5) Ricco, R.; Malfatti, L.; Takahashi, M.; Hill, A. J.; Falcaro, P. Journal of Materials Chemistry A2013, 1, 13033.

(6) Gomez, GE; Onna, D; D’Vries, RF; Barja, BC, Ellena, J; Narda, G; Soler-Illa, GJAA, J. Material Chemistry C, 2020,

https://doi.org/10.1039/D0TC02623A

(7) Ray Chowdhuri, A.; Bhattacharya, D.; Sahu, S. K. Dalton Transactions2016, 45, 2963.

(8) (a) Della Rocca, J.; Liu, D.; Lin, W. Acc. Chem. Res.2011, 44, 957(b) Horcajada, P.; Serre, C.; Vallet-Regí, M.; Sebban, M.;

Taulelle, F.; Férey, G. Angew. Chem.2006, 118, 6120.

33

In silico optimization of antimicrobial peptide enables combinatorial exploration for novel

compounds with anti-infectious activities

Octavio Luiz Franco1,2

1 Centro de Análises Proteômicas e Bioquímicas, Pós-Graduação em Ciências Genômicas e

Biotecnologia Universidade Católica de Brasília, Brasília-DF, Brazil.2S-Inova Biotech, Pós-graduação em Biotecnologia,

Universidade Católica Dom Bosco, Campo Grande, MS, Brazil.

Antimicrobial peptides (AMPs) have attracted considerable attention because of their multiple and complex mechanisms of

action toward resistant bacteria. However, reports have increasingly highlighted how bacteria can escape AMP

administration. Here, the molecular mechanisms involved in Escherichia coli resistance to antibiotics were investigated

through comparative transcriptomics. Furthermore, we also describe the use of a genetic algorithm to design synthetic AMPs

derived from plant (Pg-AMP1) a glycine-rich peptide previously isolated from guava seeds and sea animals (clavanins). This

approach yielded both peptides classes that possess an unusually high proportion of arginines and use tyrosine residues as

hydrophobic counterparts. Guavanin 2 emerged as a prototype AMP, among fifteen guavanin analogues screened for their

activity against an engineered luminescent strain of Pseudomonas aeruginosa. Similarly, clavanin-MO was also selected.

Both peptides were further characterized in terms of structure, activity and biotechnological potential. These novel peptides

were unstructured in water and underwent a coil-to helix transition in hydrophobic environments. This conformation was

corroborated by NMR analysis in dodecylphosphocholine micelles, which revealed an α-helical structure. Guavanin 2 and

clavanin-MO caused a bactericidal effect at low micromolar concentrations to several resistant bacteria, causing membrane

disruption, without triggering depolarization but rather hyperpolarization. In summary the present work presents a

computational approach to explore natural products for the design of short and potent peptide antibiotics that could be used

against resistant bacteria. Peptides have been also evaluated against Sars CoV 2.

34

Green hydrogen from Proton Exchange Membrane water electrolysis: a review of recent

developments in critical materials and operating conditions

S. Vasudevan

CSIR - Central Electrochemical Research Institute, Karaikudi – 630 006, India


Abstract

Alternative energy sources like solar, wind, thermal, ocean, geothermal, thermonuclear, hydrogen etc., are being

considered as possible sources of energy to meet the growing demand. However, none of these energy sources except

hydrogen has all the desirable qualities to replace petroleum and natural gas. For example, some are only intermittently

available; others are available away from the consumption centers and cannot be used as fuel for transportation. Therefore,

out of the above alternative energy sources, hydrogen is considered the best option, which could form the link between the

new energy sources and the user. Hydrogen is the clean fuel and when used as a fuel, produces only water. In the hydrogen

energy system, it is envisaged that hydrogen will be produced from non-fossil energy sources, and will be used in every

applications where fossil fuels are used today. Over the last decade there have been increasing research efforts to

investigate the various aspects of the hydrogen energy systems like production, storage and transport and its

applications.Generation of hydrogen via electrolysis is a well-known and established technology. There are two main types of

electrolyser [Alkaline and Proton Exchange Membrane (PEM)] and both are well proven and long-lived. Electrolysis has been

traditionally based on an alkaline technology, but Proton Exchange Membrane (PEM) electrolysers are now coming to the

forefront. However, due to the high cost of both electricity and material, only a small proportion (4 -5%) of the worldwide

hydrogen production comes from electrolysis. Yet electrolyser costs are expected to drop within the few years as a

consequence of standardization, mass-production, and a greater competitiveness. The demand for clean-produced hydrogen

and its storage potential spell enormous possibilities for renewable electrolysis in the future. Even non-renewable electrolysis

is bound to play an important role in the short-term as a source of moderate amounts of hydrogen for small fuelling stations

and domestic applications.

In future low-carbon economics, electrolyser technology could provide a central solution to meeting both the power

management needs of the electricity sector and the needs of the transport and industrial sectors for low/zero carbon fuels.

Electrolytic hydrogen could thereby displace large proportions of non-electricity fuel consumption.Hence, the new market

potential for electrolyser dwarfs the existing market potential and on a global scale it is truly vast.

In this talk some of the important and recent developments in the electrochemical alternatives with newer materials

for hydrogen generation are discussed. The talk also covers hydrogen based technologies developed at CSIR-CECRI.

35

Macromolecular Assemblies by Orthogonal Halogen Bonding and Other Directional Interactions

Anindita Das

School of Applied and Interdisciplinary Sciences, IACS, Kolkata-700 032.


Abstract: Self-assembly of synthetic polymers into well-defined nanostructures finds relevance in various applications.

Concurrently, multicomponent systems constituted of several distinct supramolecular interactions operating simultaneously

and orthogonally are prerequisite for creating more complex supramolecular architectures with advanced properties.

Recently, halogen (X)-bonding has emerged as a powerful tool for molecular recognition. However, their influence in dictating

macromolecular assembly in solution phase is still at its infancy. We envisaged that orthogonal utilization of X-bonding with

other directional non-covalent interactions can be an interesting combination for introducing structural complexity in

multicomponent polymeric systems. With this objective, we have studied the co-assembly of a polymeric halogen bond (XB)

donor with different XB accepting aromatic building blocks that can grow into 1D supramolecular polymers by either H-

bonding or dipolar interactions. The X-bonded strategy for conjugating covalent polymers with their supramolecular analogues

confers highly complex supramolecular graft-copolymers with tunable surface functionality, unprecedented stability and

stimuli responsive properties. Various design aspects of these hybrid systems and their properties will be discussed in this

presentation.

References

1. Priimagi, A.; Cavallo, G.; Metrangolo, P.; Resnati, G. Acc. Chem. Res.2013, 46, 2686-2695.

2. Vanderkooy, A.; Taylor, M. S. J. Am. Chem. Soc.2015, 137, 5080-5086.

3. Rajak, A.; Das, A. Polym. Chem.2020, 11,695-703.

4. Jamadar, A.; Karan, C. K.; Roy, L.; Das, A. Langmuir2020, 36, 3089-3095.

5. Jamadar, A.; Das, A. Polym. Chem.2020, 11, 385-392.

36

Visible Light Developments of Tribromides- A key to Dearomatisation

Debayan Sarkar

Associate Professor, Department of Chemistry, National Institute of Technology Rourkela, Odisha,

India-769008

Dearomatization is a versatile synthetic tool for transformation of a simple planar molecule to a more functionalised diverse

non-planar molecular skeleton allowing a fast access to synthetic complexity. Notably, the last decade has seen a

tremendous urge to develop sustainable versions of this transformation which can be applied to a wider context. Important

functionalisations along with conversion of these planar molecules to three dimensional molecules like

Aminocyclohexadieneones, azido-napthaleneones and Peroxo-cyclohexadieneones constitute the central core for a vast set

of medicinally important molecules and thus create an extreme focus of attention. Certainly, a generalised oxidative strategy

which carefully aaccomplishes this “trio” of reactions aminative, azidative and Peroxodative dearomatisations can be a

reaction of tremendous synthetic importance. This trio of reactions has been accomplished using Phenyl trimethyl ammonium

tribromide(PTAB) as an effective reagent.Intramolecular dearomative carbo-spirocyclization (IDCS) with phenols acts as

straight forward route towards solving molecular complexity. Interestingly, spirocyclic dienones with their inherent three-

dimensional (3D) conformational constraint and rich structural diversity are found in a number of natural products and are

known to carry a wide range of pharmacological activities

References

1. Debayan Sarkar*, Sagarika Behera, Sarbani Ashe, Bismita Nayak, Saikant Kumar Seth 2017, Tetrahedron, 51, 7200-7209

; 2. Debayan Sarkar*, M.K.Ghosh Tetrahedron Letters, 2017, 58, 4336-4339; 3.Debayan Sarkar*, Nilendri Rout, Manoj

Kumar Ghosh, Santanab Giri , J. Org. Chem. 2017, 82, 9012-9022; 4. M. Arisawa, K.Sawahata, T. Yamada, Debayan

Sarkar, M.Yamaguchi Organic Letters 2018 , 20(4), 938-941; 5. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, Puspendu

Kuila 2017, New Journal Of Chemistry, 2017, 41, 3715—3718;6. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, Organic and

Biomolecular Chemistry, 2016, 14, 7883-7886. 7. Debayan Sarkar*, M.K.Ghosh, Nilendri Rout, RSC Advances , 2016, 6,

26886.8. Sushree Ranjan Sahooa, Debayan Sarkar* Organic Letters (Accepted Article) 2020 9. Sushree Ranjan Sahoo and

Debayan Sarkar* Organic and Biomolecular Chemistry2020, 18, 4619-4627

37

Systems Chemistry: How complexity emerges from chemistry?

Dibyendu Das

Assistant Professor, Department of Chemical Sciences, IISER Kolkata, E-Mail: [email protected]

Homepage: www.ddaslab.com

There remain critical gaps in our understanding of the emergence of functional biopolymers in the origins of Earth’s

biosphere. For instance, extant proteins, evolved over millions of years, carry out an impressive array of responsibilities, from

catalysis and molecular recognition to motility and compartmentalization. One of the major goals of our lab is to investigate

the possible origins of advanced enzymatic functions from folds of short peptide based paracrystalline phases.1,2 Further, we

are excited in understanding the non-equilibrium structures of living systems.3-6 I will show our recent discoveries of simple

chemical systems that can be substrate-driven to access higher energy self-assembled states, just as seen in Natural

microtubules. Entwined with negative feedback networks, I will attempt to sketch our aims of developing self-assembled

autonomous materials that can show temporal control of functions.3,5

Reference

1. B. Sarkhel, A. Chatterjee and D.Das*. J. Am. Chem. Soc. 2020 142 4098-4103

2. A. Reja, S.P. Afrose, D. Das*. Angew. Chem. Int. Ed. 2020 59 4329-4334

3. S. Bal, C. Ghosh, T. Ghosh, R. Vijayaraghavan and D. Das*. Angew. Chem. Int. Ed. 2020, (Accepted Article)

4. S.P.Afrose, S. Bal, A. Chatterjee, K. Das, D. Das* Angew. Chem. Int. Ed. 2019 58 15783-1578

5. S. Ahmed, A. Chatterjee, K. Das and D.Das* Chemical Science 2019 10 7574-7578

6. S. Bal, K. Das, S. Ahmed and D.Das* Angew. Chem. Int. Ed. 2019 58 244

38

Reactive Self-Assembly of Polymers and Proteins for Therapeutic Applications

S. Thayumanavan

Department of Chemistry, University of Massachusetts, Amherst, MA 01003

[email protected]

Direct use of proteins, to address a specific deficiency, has the promise to mitigate the off-target effects of typical

drug molecules. The show-stopper here is protein delivery. Most current approaches are restricted to delivery of extracellular

proteins (e.g. insulin). This leaves behind a rather large number of pathologically important intracellular proteins. We report a

novel self-assembly strategy that addresses key shortcomings of prior approaches. Here, the protein itself acts as the

template for the polymer to self-assemble around it. Because the protein is the central component in the self-assembly,

protein loading is high. Moreover, the polymer is designed such that the assembly is non-toxic, not prone proteolytic

degradation in serum conditions, but releases the protein cargo in the cytosol with complete retention of their structure and

function. Complementary approaches taken in this regard will be discussed.

39

Recent Trends in Analytical Chemistry

S. M. Khopkar

Indian Institute of Technology, Bombay, India

When Prafulla Chandra Ray discovered mercuric nitrite and 8 hydroxychloroquine reliable method were not

available.However in subsequent years in 1956 the British scientists re discovered thesecompounds.They characterised

mercury by cold vapour atomic absorption spectroscopy while hydroxychloroquine was determined by Reversed Phase

HPLC.

Last few years have witnessed spectacular developments in analytical chemistry. In chromatography we have novel methods

like Ion Chromatography, Supercritical Fluid Chromatography or Capillary Electrophorsis. The former facilitates environmental

speciation of ions while latter provides means for separation and determinations at nanogram concentrations.

In quantitative analysis Atomic Absorption Spectroscopy or Inductive Coupled Plasma Atomic Emission Spectroscopy

dispenses the need of prior separation of interfering ions before analysis.

In surface analysis Scanning electron spectroscopy including ESCA,Auger and Atomic Force Spectroscopy provided means

not only for knowing the concentration but the structure and bonding involved in the substances. In elucidation of structure we

have NMR ESR Mossbauer spectroscopy along with X ray technique to provide precise information on the structure of the

compound.

In electroanalytical chemistry we have a variety of technique in Polrographylike DC,AC,Square wave technique providing both

qualitative and quantitative analysis. High frequency and conductance methods are most useful for characterization.

In separation methods in solvent extraction it is possible to extract anions eveninthe drop of the extractant. While in Ion

exchange chromatography difficult separation of Zr-Hf or Nb-Ta was feasible in few minutes.

In nuclear chemistry neutron activation analysis is still dominating the scene of the analysis at tracer concentrations.

Finally we conclude chemist is always in search of rapid method of analysis which is applicable at nanogram concentration

involving no interferences in determination. The statistical analysis has also provided us to ascertain the errors and decide as

to what extent the data and results are reliable and trustworthy.

40

Separating nuclear isomers and isotopes of the same element – the comeback of hot atom

chemistry?

Antonia G. Denkova1,R. Bhardwaj1, P. Serra Crespo1, J.L.T.M. Moret1, J. R. Van Ommen2,

H.T.Wolterbeek1

1Radiation Science and Technology, Delft University of Technology

2Chemical Engineering, Delft University of Technology, E-mail: [email protected]

The idea to apply hot atom chemistry to produce radionuclides with high specific activity dates back to the 1950s but has

received much less attention in the last two decades. However, new materials, new irradiation possibilities as well as

increased demand for radionuclides have pushed us to revive hot atom chemistry. Here we show two examples how such

principles can be used. In the first case we show how bond rupture due to internal conversion can be applied to design a

177mLu/177Lu generator. 177mLu decays to 177Lu partly by internal conversions, leading to the emission of Auger electrons and

eventual loss of valence electrons. We show that when complexing 177mLu with a chelator able to form strong complexes such

as DOTA (1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid), 177gLu can be released and collected. Initially, we used

the molecule DOTATE and reverse phase chromatography to enable the separation, but the results showed that 177mLu as

well as 176Lu also come free due to dissociation from DOTA. In order to achieve high quality of 177gLu having less than 0.02 %

of 177mLu it is important to reduce the contribution of 177mLu due to dissociation from DOTA. This has been achieved by storing

the 177mLu-DOTA complex at 77K for different times and extracting the 177gLu by liquid-liquid extraction. The results show that

contamination of 177mLu can be reduced reaching values that satisfy clinical use.

The second example is the separation of 64Cu from 63Cu using the Szilard Chalmers method. 64Cu can be produced by

various methods, but the direct production from 63Cu in nuclear reactors results in low specific activity 64Cu. The specific

activity of 64Cu was previously shown to be increased using the Szilard Chalmers method and an organic molecule in which

the Cu was incorporated. However, upon irradiation the organic molecule breaks and limiting the total activity and the specific

activity that can be achieved. Here, we show that shielding the gamma radiation originating from the nuclear reactor helps

significantly to increase the specific activity of 64Cu.

References:

1Bhardwaj, R., van der Meer, A., Das, S. et al. Separation of nuclear isomers for cancer therapeutic radionuclides based on

nuclear decay after-effects. Sci Rep 7, 44242 (2017). https://doi.org/10.1038/srep44242

2 Bhardwaj, R., Wolterbeek, H.T., Denkova, A.G. et al. Radionuclide generator-based production of therapeutic 177Lu from its

long-lived isomer 177mLu. EJNMMI radiopharm.chem.4, 13 (2019). https://doi.org/10.1186/s41181-019-0064-5

3Moret, J.L.T.M., Hardens, T.A., van Batenburg, O., Wolterbeek, H.T., van Ommen, J.R., Denkova, A.G., 64Cu enrichment

using the Szilard-Chalmers effect – The influence of γ-dose, Applied Radiation and Isotopes, 160, 2020,

https://doi.org/10.1016/j.apradiso.2020.109135.

41

Use of extraction chromatography for the selective separation of elements

Bombard A.1, Happel S.1

1TrisKem International, 3 rue des Champs Geons, 35170 Bruz, FRANCE, [email protected],

Analytical chemistry might be considered the “detective” field of chemistry, its aim being the identification and quantification of

a product, an element, stable isotopes/isotope ratios, or a radioisotope in all kind of matrices. An analytical analysis is

typically comprised of distinctive steps such as sampling, sample preparation, separation, and detection. This webinar will

focus on the separation part. Depending on the analyte, the matrices/interferents and the detection equipment, the separation

strategy to get to the result shall differ to address the respective challenges.

Analytical methods based on nuclear measurement techniques such as alpha and beta spectrometry (e.g. liquid scintillation

counting; LSC) are employed to quantify so-called difficult-to-measure (DTM) alpha and beta-emitting radionuclides. The

quantification of these radionuclides will typically require the removal of often very complex matrix elements. Their removal

then allows for the preparation of thin sources (alpha spectrometry) or mixing of the samples with LSC cocktails (LSC

counting). They will further require the removal of other potentially interfering radioelements that may interfere with the

quantification of the analytes e.g. due to spectral overlap. This is especially true for the determination of beta emitters through

LSC.

These nuclear measurement techniques are typically used in fields such as environmental monitoring (monitoring of nuclear

installations, natural radioactivity, control of food and water, NOMR industry), bioassay (incorporation control), the analysis of

samples from decommissioning, waste monitoring. They may further be employed for the quality control of radionuclides for

medical use.

Mass-spectrometry based methods on the other hand will mainly require the removal of isobaric interferences (incl.

polyatomic isobaric interferences), particularly when very precise isotope ratios are to be determined. Nevertheless, the

removal of matrix elements and the preconcentration of analytes are also of high importance to improve precision and

detection limits. Typical applications of MS based methods will include the dating of geochemical samples, and the

determination of isotopic ratios for food provenancing, nuclear forensics and metalomics.

A very frequently employed separation technique that is used to overcome these challenges is extraction chromatography. An

overview over some recent examples of applications of this separation technique in some of the above-mentioned fields will

be presented.

42

Processes based on ionic liquids to purify biopharmaceuticals

Mara G. Freire

CICECO - Aveiro Institute of Materials, Chemistry Department, University of Aveiro, 3810-193 Aveiro,

Portugal

[email protected]

Human ageing is continuously advancing and will become one of the key driving forces of societal change in the decades

ahead. Specific needs of new affordable biopharmaceuticals to treat age- and prosperity-related diseases will considerably

increase, reinforcing the demand for scalable and cost-effective production technologies. Biopharmaceuticals have largely

improved the treatment of many diseases, and in some cases are the only approved therapies available for specific human

disorders. These biologic-based products include recombinant therapeutic proteins, antibodies and nucleic-acid-based

products. Despite all advantages of biopharmaceuticals, their extremely high manufacturing cost is still the most challenging

feature limiting their widespread use. Continuous discoveries in molecular biology and genetics, combined with advances in

media and feed development, have significantly increased the production titres, being the downstream processing the main

current bottleneck in biopharmaceuticals production.

To overcome this drawback, while taking advantage of their designer solvents ability, novel processes based on ionic liquids

(ILs) have been investigated for the purification of antibodies and nucleic-acid-based biopharmaceuticals. Results achieved

with the use of aqueous biphasic systems or three phase-partitioning systems formed by ILs and supported IL materials as

novel chromatographic supportswill be presented and discussed. Some integrated preservation-separation processes using

ILs will be also overviewed. The key accomplishments and future challenges in the field will be highlighted.

Acknowledgements: This work was developed within the scope of the project CICECO-Aveiro Institute of Materials,

UIDB/50011/2020 & UIDP/50011/2020, financed by national funds through the Portuguese Foundation for Science and

Technology/MCTES.

43

Linear Free Energy Relationships with particular reference to MnII catalyzed Periodate

Oxidation of Aromatic Amines

R. D. Kaushik

Professor and Head, Department of Chemistry

Former Dean, Faculty of Science

Former Dean, Faculty of Engineering & Technology

Former Dean, faculty of Ayurved & Medical Sciences

GurukulKangriUniversity, Haridwar-249404 (Uttarakhand), India


Abstract

Different type of LFERs like Hammett, Taft, Van Bekkum, Sekigawa, Brown & Okamoto etc shall be discussed. Their

application in deciding few salient features of mechanism of reactions shall also be undertaken. Linear and non-linear nature

of corresponding plots gives important information related to the mechanism of concerned reaction. On the basis of kinetic

studies, and isokinetic relationship, the mechanistic features of the reaction series, MnII catalyzed non-Malapradian Periodate

Oxidation of Aromatic Amines, shall be discussed. LFER studies indicate the stabilization of positive charge on the anilino

nitrogen by resonance and that the transition state formed should be with a considerable positive charge. The reactions are

first order in oxidant, substrate and catalyst and get influenced by dielectric constant of the medium. The reactions are

characterized by the formation of many intermediates which finally give the benzoquinones i.e. main product. One mol of

substrate consumes two moles of oxidant in the initial part of most of the reactions. High negative value of entropy of

activation is another feature of these reactions which indicates the involvement of solvent interactions in these reactions.

Special pH effect has been reported and the rate-pH profile shows a maximum which is characteristic of the aromatic amine

oxidized. Rate law explaining the effect of pH and formation of intermediates and the isolated products is proposed. Gross

mechanism and the molecular mechanism have been proposed on the basis of the kinetic features, LFER studies and the

identified reaction products.

Key words: Linear free energy relationships, Non-Malapradian oxidation, aromatic amines, MnII, benzoquinones

44

Surface modifying macromolecules (SMMs): Synthesis, characterizations, and applications for

polymeric membrane materials

Dipak Rana

Senior Research Scientist, Industrial Membrane Research Institute, Department of Chemical and Biological Engineering,

University of Ottawa, Ottawa, Canada

Abstract:

Surface modifying macromolecules (SMMs) can be utilized to modify the surface of membranes by incorporating them into

the host membrane polymer matrix. The reason for the membrane fabrication process is for the SMMs to relocate to the

layers’ surface to bring down the surface energy at the outside of the membrane. A phase inversion process is done without

any additional

surface modification steps in order to modify a membrane’s surface. SMMs can be hydrophilic, hydrophobic, or charged

depending upon the end-capping agents’ properties of their functional groups. The characterization of different SMMs and the

blend will be discussed. SMMs have been found in a wide range of uses in membrane separation processes including

treatment of the Ottawa River water, decrease of bio-fouling by silver (Ag) incorporation, removal of endocrine-disrupting

compounds (EDCs) and pharmaceuticals and personal care products (PPCPs), fouling reduction of thin-film composite (TFC)

nano-filtration (NF) membranes, seawater desalination by membrane distillation (MD), and numerous other applications that

will be discussed.

45

A stochastic algorithmic approach towards the study of reaction path construction and

coulomb explosion in clusters

Pinaki Chaudhury


University of Calcutta

§E-mail: [email protected]; [email protected]

The problem of tracing out reaction paths in clusters has been studied using stochastic algorithmic procedures. The methods

employed are adaptive mutation simulated annealing and parallel tempering. These methods, though differing in architecture

and mode of operation, are endowed with potent qualities so as to handle situations where multiple solutions exist and search

out the best from a myriad of possibilities. We have employed these techniques in the search for transition states and follow

the full structural change through these transition states and hence map out possible paths of transformation. Another

interesting phenomenon exhibited by charged clusters is the one of coulomb explosion, where clusters below a certain

threshold size can fragment into smaller units following certain criteria. This problem is studies in charged carbon dioxide

clusters as well as doped nobel gas clusters.

[1] P Naskar, S Talukder, P Chaudhury; Phy. Chem, Chem. Phys. 19, 9654 (2017)

[2] S.Ghorai, P Naskar, P Chaudhury; Phy. Chem, Chem. Phys. 20, 22379 (2018)

[3] RH Mirdha, P Naskar, P Chaudhury; Molecular Physics; 118 , e1645368 (2020)

[4] K. Ghosh, R. Sharma, P Chaudhury; Phy. Chem, Chem. Phys. 22, 9616 (2020)

46

Electrocatalytic CO2 Reduction: Overview, Challenges and Perspectives

Dr. Soumyabrata Roy Postdoctoral Research Fellow, Rice University, TX, USA


Abstract: Century-long anthropogenic activities, since the industrial revolution, has led to enormous increase in atmospheric

CO2 levels (beyond the deadly 400 ppm mark), leading to severe climate change issues that threaten the existence of our

society. With the dependence of the world’s energy infrastructure on fossil fuels, till foreseeable future, we need to develop

carbon-negative technologies for CO2 mitigation, to balance the disturbances in the natural carbon cycle. Electrocatalytic CO2

reduction (eCO2RR) is one of the most potential avenues towards achieving sustainable energy economy and global climate

change targets by harvesting renewable energy into value-added fuels and chemicals. From an industrial standpoint,

eCO2RR provides specific advantages over other reduction pathways e.g. thermochemical, photochemical etc., in terms of a

much broader product scope, high product specificity and easy adaptability to the renewable electricity infrastructure.

However, unlike water electrolyzers, lack of suitable cathode materials for eCO2RR impedes the commercialization of CO2

electrolyzer technology, which has a material design challenge at its core. The current state-of-the art catalysts in eCO2RR

suffer largely from low catalytic rates, low C2+ product selectivity, higher overpotentials and long-term stability. Overcoming

the scientific and applied technical hurdles for commercial realization demands a holistic integration of catalytic designs, deep

mechanistic understanding and efficient process engineering. In my talk I will be focussing on the electrocatalytic avenue for

CO2 mitigation from a material design to process engineering perspective. Showcasing an example from our research

findings, I will try to harp on the importance of informed material engineering, which lay at the core of all such successful

strategies.

47

From fluorogens to fluorophores through aggregation, complexation and crystalization

Anindya Datta Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India


Dimethyl-2,5-bis(4-methoxyphenylamino)terephthalate (DBMPT) has a flexible structure, by virtue of which it is almost

nonfluorescent in solutions. In aggregates formed by addition of a poor solvent, as well as in those with surfactants and

triblock copolymers, DBMPT is strongly fluorescent. Aggregates with surfactants have been used as platforms for white light

generation, while conjugates with triblock copolymer exhibit shape dependent cell permeability. The shape of aggregates

formed with triblock copolymers depend on the length of the hydrophilic part of the polymers. Salophen, a Schiff base and its

derivatives have also been studied in this context. Fluorescence quantum yield and lifetime of salophen increase by orders of

magnitude upon complexation and in solid form/ matrix. The extent of enhancement is significantly more in its monomeric Al3+

complex (SalAl+) than in its dimeric Zn2+ complex (SalZn).1 Interestingly, fluorescence is quenched in the SalAl+ crystals.

These trends are rationalized in the light of molecular arrangement of salophen and its complexes in their pure solid forms.2

Introduction of alkoxy groups in salophen ring is found to alter not only the photophysics, but also molecular packing of the

molecules in their crystals, leading to a higher emissivity of the Al3+ complexes in their crystalline form.3 More recently, we

have studied other Schiff bases, in which Zn complexes are dimeric, but the ligand molecules are not stacked. These

complexes turn out to be significantly more emissive than the free ligand, thereby supporting the role of -stacking in

determining the emissivity of these complexes. Careful selection of structural and electronic properties is required to optimize

emissivity of similar complexes and free ligands in their solid state.4

References

(1) Khan, T.; Vaidya, S.; Mhatre, D. S.; Datta, A. The Prospect of Salophen in Fluorescence Lifetime Sensing of Al3+. J. Phys. Chem. B2016, 120 (39), 10319–10326.

(2) Khan, T.; Datta, A. Impact of Molecular Arrangement and Torsional Motion on the Fluorescence of Salophen and Its Metal Complexes. J. Phys. Chem. C2017, 121 (4), 2410–2417.

(3) Khan, T.; Datta, A. Enhanced Fluorescence with Nanosecond Dynamics in the Solid State of Metal Ion Complexes of Alkoxy Salophens. Phys. Chem. Chem. Phys.2017, 19 (44), 30120–30127.

(4) Dasgupta, S.; Khan, T.; Datta, A. Excited State Dynamics of Fluorogenic Molecules, in Advances in Spectroscopy: Molecules to Materials, Singh, D. K.; Das, S.; Materny, A. eds. Springer 2019

48

Award Papers

Award Oral (1 – 37)

49

AO-1

Origin of the electronic conductivity in La2CuO4 synthesized by solution combustion method

PAYAL ARORA

Government College for Girls, Sector-14, Gurugram, Haryana- 122001, India

[email protected]

Abstract

Lanthanum cuprate La2CuO4, a layered perovskites oxide was synthesized using solution combustion method at different

calcination temperatures using urea as a fuel. XRD characterization confirms the pure phase of the synthesized material. The

effect of calcination causes shrinking in the lattice parameters affirm the change in the oxygen stoichiometry. Shrinkage in

lattice size helps in attaining the conductivity. Four Probe (Van der Pauw’s) and CP-AFM analysis were carried out to

understand the influences of calcination temperature on electrical conductivity. Four-probe analysis of as-synthesized

La2CuO4 doesn’t show conductivity, but shows conductivity of calcined compounds with a different extent. CP-AFM result

shows that the grain size of La2CuO4 crystallites increases with the increase of heat treatment temperature. TUNA current

micrograph of compound La2CuO4 in CP-AFM concludes conductivity is not properly channelized and present in the grain

boundaries. CP-AFM give assurance of maximum conductivity of La2CuO4 calcined at 1000oC by looking in TUNA current

micrograph. For identifying the reason of conductivity in La2CuO4, we again synthesized compound with different precursor

amounts. On increasing amount of urea in La2CuO4, increase in conductivity was observed in four-probe technique. Thus,

CP-AFM and lattice size effect together explains the conductivity behaviour of La2CuO4with change in the temperature.

50

AO-2

Green Synthesis of Silver and Palladium Nanocomposites: A Study of Catalytic Activity towards Etherification

Reaction

Pritam Singh1, Mita Halder1, Santanu Ray2, Adity Bose3 and Kamalika Sen1*

1Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009, India

2Surface Analysis Laboratory, School of Environment and Technology, University of Brighton, Brighton, BN2 4GJ, United

Kingdom

3Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073, India

*E-mail: [email protected]

Abstract

The work deals with the synthesis of a biomolecule based Ag, Pd and Ag-Pd bimetallic nanocomposites using rutin as a

capping agent and their catalytic activity was examined towards etherification reaction. The Ag@rutin nanocomposite was

synthesized at pH 12 and Pd@rutin and Ag-Pd@rutin nanocomposites were synthesized at pH 1. The as synthesized

nanocomposites were characterized using N2 adsorption-desorption isotherm, high resolution transmission electron

microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), absorption spectroscopy, thermogravimetric analysis

(TGA), powder X-ray diffraction (PXRD), X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma-optical

emission spectrometry (ICP-OES). The catalytic activity of the synthesized nanocomposites was examined towards

etherification reaction between cinnamyl acetate and p-cresol chosen as model substrates. All the three synthesized

nanocatalysts were effective towards the studied reaction although Pd@rutin showed highest catalytic activity among them.

The best reaction condition and highest reaction yield was obtained in presence of water as a solvent, K2CO3 as a base,

under refluxing condition for 18 h of reaction time. The similar catalytic activity was further examined towards different

substituted analyte to check the applicability of the nanocatalyst. The products showed yields with 85-91% with a turn over

frequency of the catalyst lying in the range 17490-18724 h-1. The ICP-OES data suggested a very negligible amount of metal

is leaching out in the reaction mixture and the Pd@rutin nanocatalyst can be reused up to four times without a considerable

loss of catalytic activity. The use of Ag based heterogeneous catalyst towards such O-allylation reaction is the first as best of

our knowledge.

51

AO-3

Tri-Component Based Aqueous Biphasic System: One Step Forward to Construct a Greener Biphasic System

Laboni Das1, Sankar Prasad Paik2 and Kamalika Sen1*

1Department of Chemistry, University of Calcutta, 92 APC Road, Kolkata 700 009, India

2Department of Chemistry, SundarbanMahavidyalaya, Kakdwip 743347, India

email: [email protected]

Abstract:

In extraction chemistry, aqueous biphasic system (ABS) offers a greener substitute of the traditional liquid-liquid extractions in

which toxic, volatile and inflammable organic solvents are used1. ABS is generally composed of two mutually incompatible

aqueous solutions of polymer-polymer, polymer-salt, salt-salt, carbohydrate - polymer etc, at a certain thermodynamic

condition1,2. According to literature, the carbohydrate-polymer system is one of the least studied systems among them.

Carbohydrates have the advantage of havingnonionic, nontoxic, biodegradable nature withcheap, easy availability. In this

work, polymer-carbohydrate ABS consisting of 18% (w/v) aqueous solutions of D-mannitol and PPG#400 (100%), clear phase

separation takes place at high temperature (≥309 K). To overcome such an obstacle, we need to increase the salting out

ability of the carbohydrate rich phase which may be attained by increasing the ionic strength of the solution. As a consequent,

ionic liquid (IL) can be introduced as an adjuvant to the carbohydrate solutionto increase the salting out property of the

carbohydrate rich phase. Thus, we have mixed the aqueous solutions of D-mannitol with IL (tris (2-hydroxyethyl) methyl-

ammonium methyl sulfate), and then as a conjugate solution, the mixture is added to the aqueous solution of PPG#400 which

provides a new aqueous biphasic system. This newly formed tri-component based ABS requires only 16% (w/v) of D-

mannitol, 16% (w/w) of IL and 90% (v/v) of PPG#400. Not only the suppressed concentrations, this tri-component ABS can be

formed at room temperature (301 K). Now to verify the feasibility of our IL- carbohydrate -polymer system, we have also

designed ABS composed of PPG#400(80%,v/v) and IL (60%, w/v) at 301K. In a tri-component ABS, less amount of IL is

required, it is economical and also influence the biphase formation; which eventually proves the advantage of our newly

designed IL+carbohydrate -polymer ABS system.The phase diagrams were plotted using Merchuk equation.

References:

1. Freire, M. G. et al. Chem. Soc. Rev. 2012, 41, 4966–4995.

2. Sadeghi, R. et al. Polymer2016, 98, 365-377.

52

AO-4

Synthesis of biofuel additives from biodiesel waste using furfural over anchored 12-tungstosilicic acid

Dhruvi Pithadia&Anjali Patel*

Polyoxometalates and Catalysis Laboratory, Department of Chemistry, Faculty of Science, The Maharaja Sayajirao University

of Baroda,Vadodara, Gujarat, India

[email protected]& (091)9924081608, [email protected]*& (091)9638103500

Abstract

The substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively

investigated for the manufacture of high value-added products. As a result of this, there has been an unparalleled revolution

in biodiesel industries producing surplus glycerol as a by-product. Collectively, up to date, these industries are unable to

exploit all the glycerol formed from biodiesel manufacturing units. Hence, from the view point of Green chemistry, it is of great

demand to convert glycerol to bio-additive products.

The present work consists of heterogeneous catalyst comprising 12-tungstosilicic acid anchored to nanoporous MCM-48

(TSA/nMCM-48) and its characterization by various physicochemical techniques. The catalytic activity

of the synthesized catalyst has been explored for the acetalization of glycerol

at 30 ℃ with furfural and detailed study was carried out by varying different parameters to achieve 89 % conversion with

selectivity of 69 % dioxane. The

TON was found to be 7355 as well as the catalyst was also found to be recycled up to 4 runs without any loss in the activity

[1].

Figure 1: Acetalization of glycerol with furfural

References:

1. A. Patel & D. Pithadia, Appl. Catal. A-Gen. 602 (2020) 117729

53

AO-5

Investigation of Antibiofilm activity of green silver nanoparticles against bacterial biofilm

Moumita Majumdarand Tarun Kumar Misra*

Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura 799046, India

E-mail: [email protected]/[email protected]

In the present era of multiple drug resistance bacteria, there is a crucial need to improve alternative medications to treat

bacterial infections. Bacteria become resistant towards conventional antibiotics through genetic mutation and formation of

multi-layer matrix structures, called biofilms [1,2]. Eco-friendly metal nanoparticles, especially silver nanoparticles (AgNPs)

with their extraordinary antimicrobial activity have evolved as an alternative to multidrug-resistant bacteria [3]. In the present

study, Citrus macroptera (CM) fruit extract stabilized silver nanoparticles (CM-AgNPs) have been developed and evaluated

against biofilms of two bacteria, Bacillus subtilis and Pseudomonas aeruginosa. CM-AgNPs show significant inhibition on

biofilm production at very low concentrations. Structural alterations of biofilm was confirmed by performing atomic force

microscopy. To understand the detailed mechanism, molecular docking studies have been performed between CM-AgNPs

and proteins of biofilms of the bacteria. These are mainly transcription factors which control the biofilm production of bacteria

of interest. Strong electrostatic interactions indicate CM-AgNPs effectively bind the proteins of B. subtilis and P.

aeruginosa. Therefore, the experimental outcomes and computational studies make the whole research work accommodating

towards the development of possible alternative treatment based on nanoparticle therapy against a wide range of bacterial

infections concerning biofilm formation.

References

[1] Donlan, R. M. & Costerton, J. W. (2002) Biofilms: survival mechanisms of clinically relevant microorganisms, Clinical

microbiology reviews. 15, 167-193.

[2] Rogers, A. (2008) Molecular oral microbiology, Caister academic press.

[3] Kaviya, S., Santhanalakshmi, J., Viswanathan, B., Muthumary, J. & Srinivasan, K. (2011) Biosynthesis of silver

nanoparticles using Citrus sinensis peel extract and its antibacterial activity, Spectrochimica Acta Part A: 79, 594-598.

54

AO-6

A short commentary on the ‘why’s of biomass-derived carbon material towards water pollution remediation

Akito I Sema1, Parimal Chandra Bhomick2, Jhimli Bhattacharyya1*

1Department of Chemistry, National Institute of Technology Nagaland, Chumukdima, Dimapur

Nagaland – 797103.

2Department of Chemistry, Immanuel College, Dimapur, Nagaland – 797 112.

Email: [email protected], [email protected]

Abstract

Clean water accessibility is expected to decrease and create water stress globally in the near future due to rapid growth of

population, urbanization and industrialization. UNESCO estimated that 80% of the global wastewater is exposed to the

natural environment without any precautionary treatment — making individual exposed to myriad contaminants with severe

health risks. Such contaminants present in the natural water resources becomes a threat to aquatic life and human survival.

Thus, treatment technologies (e.g., reverse osmosis, membrane separation, ion-exchange, adsorption, solvent extraction,

and advanced oxidation method) are applied to eliminate contaminants from the polluted water. But, adsorption using

biomassderived carbon reliably accounts for an effective method owing to its simple operation, costeffectiveness, high

removal efficiency and lesser chemical utility. It has gained much attention among researchers during the recent years; as

such treatment technology reduces the cost of production with higher surface area, and enhanced porosity. The significance

of this work is to provide succinct information with recent research articles on why biomass carbon as an adsorbent material

is a viable and eco-friendly method towards water pollution remediation. In addition, synthesis of activated carbon from

natural wastes, their characterization and application (along with glimpses of thermodynamics and kinetics of the procedure)

are briefly described here. The carbon based material synthesized by us showed excellent adsorption properties during water

treatment.

Keywords: Contaminants, Biomass, Porosity, Water treatment, Remediation, Adsorption isotherm studies.

55

AO-7

One-Dimensional NiSe-Se Hollow Nanotubular Architecture as a Binder-Free Cathode with Enhanced Redox

Reactions for High-Performance Hybrid Supercapacitors

Suvani Subhadarshini1, Dipak K. Goswami1,2 , Narayan Ch. Das1,3

1School of Nano Science and Technology, Indian Institute of Technology Kharagpur, Kharagpur, India.

2Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur, India.

3Rubber Technology Centre, Indian Institute of Technology Kharagpur, Kharagpur, India

ABSTRACT

Selenium enriched nickel selenide (NiSe-Se) nanotubes supported on highly conductive nickel foam (NiSe-Se@Ni foam)

were synthesized using chemical bath deposition with the aid of lithium chloride as a shape directing agent. The uniformly

grown NiSe-Se@Ni foam, with its large number of electroactive sites, facilitated rapid diffusion and charge transport. The

NiSe- Se@Ni foam electrode, exhibited a superior specific capacitance value of 2447.46 F g-1 at a current density value of 1

A g-1 in a 1 M aqueous KOH electrolyte. Furthermore, a high-energy-density pouch-type hybrid supercapacitor (HSC) device

was fabricated using the proposed NiSe-Se@Ni foam as the positive electrode, activated carbon on Ni foam as the negative

electrode, and a filter paper separator soaked in a 1 M KOH electrolyte solution. The HSC delivered a specific capacitance of

84.10 F g-1 at a current density of 4 mA cm-2 with an energy density of 29.90 Wh kg-1 at a power density of 594.46 W kg-1

for an extended operating voltage window of 1.6 V. In addition, the HSC exhibited excellent cycling stability with a

capacitance retention of 95.09% after 10,000 cycles, highlighting its excellent potential for use in the hands-on applications.

The real-life practicality of the HSC was tested by using it to power a red light-emitting diode.

KEYWORDS: hybrid, supercapacitor, NiSe-Se, nanotube architecture, conductive, electrode

56

AO-8

Catalytic Water Oxidation by a Mononuclear Ruthenium(III) Complex with an Anionic, Redox-Non-Innocent Ligand

Animesh Kundu, and Sukanta Mandal*

Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur - 721302, W.B.

Abstract:

This work describes catalytic water oxidation activity of a mononuclear ruthenium(III) complex [Ru(L)(pic)3] (H3L = 2,2’-

iminodibenzoic acid, pic = 4-methylpyridine), using Ce(IV) as an oxidant in pH 1. The detail mechanistic investigations of

water oxidation have been carried out by the use of spectroscopy, electrochemistry, kinetic analysis and computational

studies. Electrochemical study suggests that water oxidation proceeds via formal high-valent RuVII species. The capability of

accessing such a high valent state is derived from the non-innocent behavior of the anionic-tridentate ligand framework which

helps in accumulation of oxidative equivalents in cooperation with metal center. This metal-ligand cooperation is important to

facilitate the multi-electron oxidation of water. Mechanistic investigation reveals water oxidation at single-site of Ru where O-

O bond formation takes place via radical-radical coupling pathway between the oxygen atom of ruthenium-oxo species and

the oxygen atom of hydroxocerium(IV) ion.

Keywords: Non-innocent Ligand, Ruthenium Complex, Water Oxidation, Catalysis.

Reference: Kundu, A.; Dey, S. K.; Dey, S.; Anoop, A.; and Mandal, S. Inorg. Chem 2020, 59, 1461−1470.

57

AO-9

Arm Growth and Facet Modulation in Perovskite Nanocrystals

Sumit Kumar Dutta

School of Materials Sciences, Indian Association for the Cultivation of Science, Kolkata-700032, India

Email Id: [email protected];

Abstract:

Highly emissive isotropic CsPbBr3 perovskite nanocrystals are typically observed in a six-faceted cube shape. When a

unique approach was adopted and the reaction medium was enriched with halides, arm growth on all six facets was carried

out and reported. Analysis suggested that these armed nanostructures were obtained from intermediate polyhedron shaped

structures having 26 facets, and these were formed under halide-deficient conditions. Surface energy calculations further

supported the possible existence of all facets for both of these structures under different halide composition environments.

Arm lengths could also be tuned with a function of reaction temperature. Formation of stable facets in polyhedron shaped

nanostructures and their transformation to respective hexapods under halide-deficient and halide-rich conditions add new

fundamental concepts for these nanostructures and their shape evolutions.1 Further, these nanostructures were explored for

photocatalytic reduction of CO2 and their activities were compared with traditional cubic nanoparticles. With the support of

density functional theory, the adsorption and desorption probabilities of reactants/products in different facets were also

calculated and correlated with experimental findings.2 These results indicated that facets and defects of perovskite

nanocrystals are equally important for carrying out catalytic reactions.

Figure 1: Schematic presentation of formation of the hexapod

structure from the intermediate polyhedrons along with

corresponding microscopic images and comparison of catalytic

activities.

Reference:

1. J. Am. Chem. Soc. 2019, 141, 40, 16160–16168.

2. J. Phys. Chem. Lett. 2020, 11, 9, 3608–3614.

58

AO-10

Five Member Aromatic Heterocyclic Super alkali Complexes (M=Li, Na), A Promising Potential Hydrogen Storage System

Mrinal Kanti Dash1,2,$, Gobinda Ch. De1, Gourisankar Roymahapatra2* , Santanab Giri2 1Department of Chemistry, Cooch Behar Panchanan Barma University, Cooch Behar 736101, India

2School of Applied Science and Humanities, Haldia Institute of Technology, Haldia 721657, India *Email: [email protected], $Email: [email protected]

Abstract: In the concurrent world of growing energy demands hydrogen is considering to be one of the best alternatives to

the existing energy scenario. Although a large number of materials have been investigated for hydrogen storage, none of

them satisfies all the conditions and all the requirements to reach the highest target. In development of new hydrogen storage

materials, we have used six different aromatic five member heterocyclic systems (Immidazole, Pyrazole, Oxazole, Isooxazole,

Thiazole, and Isothiazole,).We have shown that the alkali (Li/Na) metallated heterocyclic system are stabilized as cation and

found to be super alkali[1] with a vertical electron affinity ranges 7- 9 eV. Quantum chemical calculations reveal that six

different aromatic five member heterocyclic systems can adsorb up to 5 H2 molecules with gravimetric wt% of 11. In all the

complexes alkali (Na and K) sites are interacting with molecular hydrogen

through ion induced dipole interaction; implying the process as physisorption.

Binding energy values favour gradual H2 adsorption.

Keywords: Hydrogen storage, Super alkalis, Physisorption

Reference:

[1] R. Parida, G. N. Reddy, A. Ganguly, G. Roymahapatra, A. Chakraborty and Santanab Giri, Chem. Commun., 2018; 54, 3903-3906.

Fig1: IsooxazoleLi (+) 5H2

59

AO-11

A New Class of Superhalogen Based Anion Receptor in Li-Ion BatteryElectrolytes1

Rakesh Parida


Department of Chemistry, National Institute of Technology Rourkela

Abstract: In the search for new additives (anion receptors) in Li-ion batteryelectrolytes especially for LiPF6 and LiClO4, we

have theoretically designed boron-basedcomplexes by coupling with different heterocyclic ligands. The validation of the

formationof modeled compounds involves reproduction of available experimentally reportedabsolute magnetic shielding and

chemical shift values for different boron complexes. Ascompared to the commonly used tris(pentafluorophenyl) borane, our

designedcompounds suggest that the complexes like B[C2HBNO(CN)2]3, B[C2HBNS(CN)2]3,and B[C4H3BN(CN)2]3 are

promising additives.

1. R. Parida, G. N. Reddy,A. Chakraborty,S. Giri, M. Jana, J. Chem. Inf. Model. 2019, 59, 2159−2164

60

AO-12

Fabrication and Comparison of Wear Rate Characteristic of Al2O3 and ZrO2 based Ceramic Composite Material

Gaurav Tamrakar

Assistant Professor, Department of Mechanical Engineering, Kalinga University, Naya Raipur (CG)

[email protected]

ABSTRACT

Composite materials are materials consisting of two more distinct chemical constituents in different phases which combine

together to form new material with property unique to both of the material. In this research work we study about Al2O3 and

ZrO2 based polymer matrix ceramic composites. In polymer matrix ceramic composite the supporting structure consists of

polymer selected as epoxy (formaldehyde and phenol) and the ceramic acts as the filler material selected as Al2O3 and

ZrO2. We are try to study the abrasive wear properties of widely used composites Al2O3 and ZrO2 by varying the different

weight percentage 10%, 20%, 30% of the ceramics in the polymer matrix. Both ceramic composites are subjected to wear at

different concentrations in polymer matrix. For testing a wear rate we used Pin-on-disc Machine running at different RPM 250,

500, 750, 1000. The wear rate for both the ceramics at different concentrations are calculated and compared in order to find

the most optimum concentrations for each of the composites. Thereby the results of the two ceramic composites are to be

compared with each in order to find out the ceramic which brings about a better change in properties. The conclusions find,

wear rate for Al2O3 is less than ZrO2 thus Al2O3 is more wear resistant ceramic composite as compared to ZrO2.

Keywords: Alumina (Al2O3), composites, wear, zirconia (ZrO2).

61

AO-13

Mechanochemical Synthesis: a green method for the synthesis of N- and O-containing heterocyclic compounds

Nasseb Singh Synthetic Organic Chemistry Laboratory, School of Biotechnology, Shri Mata Vaishno Devi, University Katra-182 320, Jammu

and Kashmir, India

E-mail address: [email protected] &[email protected],

Abstract: Mechanochemical Synthetic Technique (MST) is one the emerging green methods of organic synthesis.1 It

involves the coupling of mechanical and chemical phenomenon. Do and Friščići et.al.regard mechanochemistry as a force of

synthesis.2 N- and O-containing heterocyclic compounds constitute a well recognized group of molecules that possesses

several types of biological activities and are known to be potent pharmacophores. In this paper, recent advances in the

mechanochemical synthesis of N- and O- containing heterocyclic molecular entities will be presented and described. This will

include different reactions, functional group transformations, catalytic processes, and photochemical processes that were not

carried under mechanochemical synthesis of organic molecules.

Keywords: Green Chemistry; Mechanochemical Synthesis; N-/O-Heterocycles

Acknowledgements: UGC New Delhi vide. F. No. 39–788/2010 (SR), SMVDU University Katra, CSIR-IIIM Jammu, and

University of Jammu.

Reference:

1. Schilter, D. Nat Rev Chem 2018, 2, 331

2. Do, J.L. & Friščić, T ACS Cent. Sci. 2017, 3, 1, 13-19

62

AO-14

γ-irradiatedSelenium Nanoparticles for Optical Sensing of Cancer Biomarker

Shalmali Basu, Debashree Das, Kamalika Sen*

Department of Chemistry, University of Calcutta, 92 APC Road, Kolkata 700009, India

Abstract:

Early detection and supervision of cancer using cancer biomarkers is a well focused area in recent research and development

field. Carcinoembryonic antigen (CEA) is the protein present in body which is associated with different types of cancer like

colorectal cancer, etc. Various methods like electrochemiluminescence, potentiometric, electrical, electrochemical methods

are already in use for CEA detection [1]. Low sensitivity and specificity of these methods demand optical detection methods to

take charge. In this novel study, use of selenium nanoparticles (SeNP) for optical detection of CEA has been studied. Results

establish efficacy of SeNP to sense CEA even at its low concentration when their respective UV-visible spectroscopy was

performed. Surface activity of γ- irradiated (24h, 72h) Se nanoparticle (γ-SeNP) was studied that could deliver higher signal

enhancement as it could sense CEA better compared to SeNP alone. Biotin (a part of vitamin B family) was incorporated to

SeNP and γ-SeNP for finer detection of CEA owing to its extremely high affinity and specificity towards many proteins [2].

Further modification of signal intensity was achieved using biotin which makes this optical method to be a sensitive as well as

specific one for superior detection of biomarkers.

Reference:

[1] Barman, S.C., Hossain, M.F., Yoon, H. and Park, J.Y., 2018. Biosensors and Bioelectronics, 100, pp.16-22.

[2] Hirsch, J. D., Eslamizar, L., Filanoski, B. J., Malekzadeh, N., Haugland, R. P., Beechem, J. M., and Haugland, R. P.,

2002.Analytical biochemistry, 308(2), pp.343-357.

63

AO-15

Design of C-2 methyl ether-based glycosyl donors towards stereoselective synthesis of 1,2-trans-β-O-glycosides

Mosidur Rahaman Molla, Dr. Rima Thakur*

National Institute of Technology, Patna, Email id: [email protected]

Abstracts: Oligosaccharides bearing 1,2-trans--O-glycosidic linkage is found in a large number of naturally occurring bio-

active compounds with prominent therapeutic properties.1 To understand the biological significance of newly isolated

compounds and to synthesize these biomolecules in larger scale for development of drugs and vaccines, it is pertinent to

develop stereoselective synthesis of the β-anomers.2 While 1,2-trans--O-glycosylation have classically been achieved by

neighboring group participation (NGP) of C2-O-acyl group, its strong “disarming” effect resulting in sluggish glycosylation and

possibility of side products giving rise to low yield has reduced its application.3 In contemporary glycochemistry, introduction

of “arming” ether based participating groups at C2 of the donors, especially benzyl ethers, has emerged as a promising

methodology for β-glycosylation.4 Owing to this synthetic significance, we became interested in developing C2-O-methyl

ether based stereodirecting participating groups on glycosyl donors. This presentation will include our recent explorations with

C2-cyanomethyl (CNMe)5 and C2-(4-methyl-tetrazole)methyl ether as orthogonal participating groups to obtain the 1,2-trans-

-O-glycosides in high to excellent stereoselectivity, good yields. The synthesis, stereoselective glycosylation, mechanistic

insights and removal of these novel methyl ethers will be key highlights of the discussion.

Reference

1. Zhu, X.; Schmidt, R. R. Angew. Chem. Int. Ed. 2009, 48, 1900−1934.

2. Shaw, M.; Kumar, A.; Thakur, R..Trends In Carbohydr. Res. 2017, 9, 1-28.

3. Fraser-Reid, B.; Grimme, S.; Piacenza, M.; Mach, M.; Schlueter, U. Chem. Eur. J. 2003, 9, 4687-4692.

4. Buda, S.; Nawój, M.; Gołębiowska, P.; Dyduch, K.; Michalak, A.; Mlynarski, J. J. Org. Chem. 2015, 80, 770-780.

5. Molla, M. R.; Das, P.; Guleria, K.; Subramanian, R.; Kumar, A; Thakur, R. J. Org. Chem. 2020,

doi.org/10.1021/acs.joc.0c01249.

64

AO-16

Designing of a Double-Edged Molecular Probe for Fluorescent Sensing of Serum Albumin and as an Optical Beacon

in Theranostics Application

SubhajitGuria,[a]Susanta Adhikari*[a]

[a]Department of Chemistry, University of Calcutta, 92 A. P. C. Road, Kolkata-700009, India


Abstract:

Cells are the elemental unit of life that is capable of self-directed replication. However, the mechanism of autonomous

reproduction may sometimes be compromised by aging, genetic or environmental factors, leading to an unrestricted cell

division to generate an abnormal mass of tissue called tumors.An efficient way to treat tumor cells is by using

chemotherapeutic agents. However, their use is limited by their poor water solubility, low bioavailability, and non-specific

distribution in the body tissues and organs, leading to serious side effects and toxicity. To overcome this problem

encapsulation of chemotherapeutics using nanocarriers has gained significant attention. Albumin, an intrinsic ingredient of

blood, has been viewed as a promising biocompatible material for cellular imaging and drug delivery applications.1Herein, we

have designed a small-molecule probe: DFPAC-OH, which can specifically interact with serum albumin to generate a highly

sustainable fluorescent nano-aggregate: DFPAC-OH@BSA-NPs, useful for bioimaging and in-vitro drug-delivery applications.

Cellular internalization and pH-responsive drug-release behavior of a hydrophobic drug thymoquinone (TQ) encapsulated in

DFPACOH@BSA-NPs: TQ-DFPAC-OH@BSA-NPs has been evaluated in A549 cells. The cytotoxic effect and intracellular

Reactive Oxygen Species (ROS) generation were additionally examined to support the anticancer property of TQDFPAC-

[email protected]

References:

1. Wang,J.; Zhang, B. Curr. Med. Chem.2018, 25, 2938-2953.

2. Guria, S.; Ghosh,A.; Upadhyay, P.; Das, M. K.; Mishra, T.; Adhikary, A.; Adhikari, S. ACS Appl. Bio Mater.2020, 3, 5,

3099–3113.

65

AO-17

Design and Development of Methoxy-enriched Cationic Stilbenes for Anticancer Therapeutics

Tanushree Mishra, Susanta Adhikari

Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata-700009, India.

Email:[email protected]

Abstract:

Stilbene-based compounds are largely described for their antioxidant activity. But their use as anticancer chemotherapeutics

is hampered by poor pharmacokinetic properties and non-selectivity towards cancer and non-cancer potency.1 To overcome

these drawbacks, twin chain cationic lipid conjugated, methoxy-enriched stilbene derivatives were designed, synthesized and

evaluated for their anticancer potency. Our findings reveal that HMSC16, a molecule with the highest number of methoxy

groups and with C16-twin chain lipid, is the most potent as well as the most selective anticancer agent when compared to the

other synthesized derivatives and commercially available stilbene-based drug, tamoxifen, and resveratrol. To justify these

results, we have conducted a series of mechanistic experiments where we found that HMSC16 induced ROS generation,

apoptosis, and autophagy by affecting the mitochondrial, lysosomal and nuclear pathways. Further cell cycle analysis data

reveals that HMSC16 not only induces cell death but is also involved in the arrest of the cell cycle at the sub-G1 phase.

Moreover, HMSC16 showed self-aggregation property owing to a possibly favorable hydrophilic-lipophilic balance. The self-

aggregation property of HMSC16 allowed it to entrap hydrophobic drugs, withaferin. With entrapped withaferin, HMSC16

showed additive if not synergistic cell killing effect in HeLa cells. From the above results, we concluded that HMSC16 can be

used not just as a drug but also as a drug delivery agent.2

References:

1. Kapetanovic, IM.; Muzzio, M.; Huang, Z.; Thompson, TN.; McCormick, DL. Cancer chemotherapy and pharmacology 2011,

68, 593-601.

2. Yousuf, Md.; Jinka, S.; Adhikari, S.; Banerjee, R. Bioorg, Chem., 2020, 98, 103719

https://doi.org/10.1016/j.bioorg.2020.103719

66

AO-18

Efficacy of 1,1-diphenylhydrazin on bioproduction of lactic acid

Prachi Prakash

Department of (Organic) Chemistry, B. N. Mandal University, Madhepura (Bihar)

Abstract:

The efficacy of 1,1-diphenylhydrazin on bioproduction of lactic acid byLactobacillus pentosus NCIM-2256 has been assessed.

It has been found that the mutagen, i.e., 1,1- diphenylhydrazin at concentrations 4.0×10–5M enchances the bioproduction

of lactic acid to an exent of 8.255% higher in comparison to control whileat5.0×10–5Mandonwardsconcentrationsof 1,1-

diphenylhydrazin inhibits the production of lactic acid to a great extent in comparison to control.

The influence of mutagens in fermentation technology specially lactic acid fermentation has been studied

extensively.Some mutagens where tested by many workers for different fermentations process and were found most of

them were found useful for higher production of the desired products. Thus, it is concluded that a large number of

mutagens have been employed to generate the mutatnts of differentmicrobesbutstilltherearesome chemical

mutagenswhose influence on production of lactic acidbyLactobacilluspentosusNCIM-2256have

notbeenwellstudiedandestablished.Therefore, in the present investigation the authors have made an attempt to study the

production of lactic acid by Lactobacillus pentosus NCIM-2256 exposed to exposed to1,1-diphenylhydrazin.

(Keywords: Lactic acid fermentation, 1,1- diphenylhydrazin and Lactobacillus pentosus NCIM-2256).

67

AO-19

Programmed Supramolecular Nanoassemblies for Biological Applications

Mijanur Rahaman Molla

Department of Chemistry, University of Calcutta, 92 A.P.C. Road, Kolkata-09


Programmed supramolecular nanoassemblies and their triggered disassemblies are found to have a remarkable impact in the

field of targeted drug and gene delivery applications. In this aspect, stimuli responsive polymeric or dendrimer-based

nanoassemblies have been used as potential materials in nanomedicine. Though these materials have been widely studied to

find potentiality in nanomedicine, they showed some limitations such as metastability, lack of homogeneity, poor

reproducibility (for polymers), low solubility and non-degradability(for dendrimers). On the other hand, small molecular

amphiphile or bolaamphiphile-based nanoassemblies will be of great choice for drug delivery applications as they do not

show above said limitations. But, all these systems have a major drawback of premature disassembly due to dilution effect

while they are in the vascular system. Hence, to fabricate a robust nanocarrier to minimize the above said limitations, we

believe cross-linking the core or surface of the small molecule-based nanoassemblies will be the right choice.

To that end, we designed and fabricated a bolaamphiphilic cross-linked nanoassembly endows with pH responsive

degradation for stable noncovalent guest encapsulation and controlled release. The cross-linking was performed to further

stabilize the nanoassemblies at a concentration below its critical aggregation concentration (CAC) in a large volume of water

or serum for drug delivery applications. Thus, this system can simultaneously address premature drug release and safety

issues. The nanoassemblies integrated with a β-thioester linker, which can be hydrolyzed selectively under mildly acidic

conditions (pH ~ 5.3) at a slow rate, thus empowers controlled release of guest molecules. The biological evaluation revealed

that doxorubicin loaded cross-linked nanoassemblies (CNs-DOX) are nontoxic to normal cells such as HEK-293T or PBMC,

but in contrast, showed a robust apoptotic effect on colon cancer cells, HCT-116, indicating excellent specificity. Thus, the

fabrication reproducibility, robust stability, triggered drug release and cell selective toxicity behaviour makes this small

molecular system very promising in the field of chemotherapeutic applications.A detail account of the molecular design,

synthesis, self-assembly, triggered disassembly and biological evaluation will be discussed in the presentation.

References:

1) J. Zhuang, M. R. Sordon, J. Ventura, L. Li, S.Thayumanavan, 2013, 4, 7421-7435

2) M. R. Molla, P. Rangadurai, G.M. Pavan, S. Thayumanavan, Nanoscale, 2015, 7, 3817-3837

3) S. Mondal, M. Saha, M. Ghosh, S. Santra, K, Das Saha, and M. R. Molla, Nanoscale Advances, 2019, 1, 1571-1580.

4) S. Santra, M. A. Sk, A. Mondal and M. R. Molla, Langmuir, 2020, 36, 882-8289.

68

AO-20

Iron Oxide Nanoparticles: Synthesis, Morphological Analysis, Antibacterial Activity, Cytotoxic Effect on Lung Cancer

Cell line

Sangharaj Diyaliaand Bhaskar Biswas[a]*

aDepartment of Chemistry, University of North Bengal, Darjeeling 734013, India

Email- [email protected]

Abstract:

Focusing on the huge importance associated in developing functional materials, this research study deals with synthesis,

characterization of morphology, antibacterial activity and cytotoxic effect of iron oxide nanoparticles (IONPs). IONPs have

been successfully fabricated through thermal decomposition of a diiron(III) complex precursor. The morphology of the

nanoparticle has been delineated with different spectroscopic and analytic methods. Scanning and transmission electron

microscopy (FE-SEM and HR-TEM) analyses estimate the cross linked porous structure of IONPs with an average size ~97

nm. Dynamic light scattering (DLS) study of IONPs determines the hydrodynamic diameter as 104 nm. The cytotoxic behavior

of IONPs has been examined against human lung cancer cell line (A549) through acridine orange (AO), ethidium bromide

(EB) and Hoechst 33258 staining studies which ensure the mode of apoptosis for cell death of A549. Furthermore,

measurement of reactive oxygen species (ROS), loss of mitochondrial trans-membrane potential and depolarization pattern

suggest the destruction of mitochondrial membrane of Staphylococcus aureus, leading to effective bactericidal propensity

which holds a good promise for IONPs to become a clinically approved antibacterial agent.

69

AO-21

Elucidation of sulfamethazine-surfactant complexation via spectroscopy, neutron and light scattering techniques

A. Mavani, Aben Ovung, Jhimli Bhattacharyya*

Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur,

Nagaland – 797 103, Email: [email protected],[email protected]

Abstract:

In recent years, great progress has been achieved for drug’s targeted delivery and controlledrelease via surfactant system.

Micellar solubilization of poorly soluble drugs with surfactants iswidely used for the dissolution for selective and efficient drug

delivery. Sulfamethazine (SMZ), an antibacterial compound (widely used as veterinary medicine) can hinder the synthesis of

folicacid in micro-organisms and thus inhibits the bacterial growth. Though SMZ is a common pharmaceutical drug, it is

sparingly soluble in water. Here we have studied the complex formation of SMZ with Cetyl-tri-methyl-ammonium-bromide

(CTAB), a well-known cationic surfactant to increase its solubility and hence bio-availability. Different techniques like UV-vis

and fluorescence spectroscopy, Small Angel Neutron Scattering (SANS), Dynamic Light Scattering (DLS), Zeta potential

measurement have been used to monitor the formation, size(s) and charge(s) of the micelles during the complexation,

quantitatively. The increase in solubilityof SMZ was linear with increasing surfactant concentration, as a consequence of

associationbetween the drug and micelles. Surfactants also aide in the passage of active ingredients across various

membranes, that must be traversed in order for the active ingredient to reach the target site. Therefore, micellar solubilization

works as a smart solution to raise the bioavailability of sparingly soluble drug molecules.

Keywords: Surfactant, Micelle, SMZ, Drug delivery, Spectroscopy, SANS, DLS, Zeta potential

Acknowledgement: This research work is supported by UGC-DAE, Mumbai Center, BARC, Mumbai. Authors acknowledge

Dr. V. Siruguri, Director, UGC-DAE, Mumbai Center and Vinod, K. Aswal, Debes Ray; Solid State Physics Division, Bhabha

Atomic Research Centre, Mumbai (collaborator of the research scheme mentioned above).

70

AO-22

Elucidation of binding interactionsofsulfanilamide antibiotics to myoglobin by spectroscopic, calorimetric and

computational methods

Aben Ovung, Jhimli Bhattacharyya,*

Department of Chemistry, National Institute of Technology Nagaland

Chumukedima, Dimapur, India – 797103.


Abstract

Studies on the interaction of antibiotic drugs with bio-macromolecule are helpful for understanding their molecular aspects of

the binding path. In this study, interaction on the sulphanilamide antibiotic drugs, Sulfamethazine (SMZ) and Sulfadiazine

(SDZ) with heme protein, Myoglobin (Mb) have been elaborated through different analyses from spectroscopic, calorimetric

and computational approachs. The binding constant and apparent binding constant from the Benesi- Hildebrand plot and

Fluorescence quenching analyses, respectively were obtained to be in the order of 104 M-1 with SMZ having higher affinity

with Mb as compared to that of SDZ. The significant loss in the helicity of the protein and the perturbation of the protein

structure after binding with drug were confirmed by Circular Dichroism (CD), Infra Red and Synchronous fluorescence

spectra. The binding interaction was found to be dominated by electrostatic and hydrophobic forces as confirmed by pH, salt

and temperature dependent fluorescence studies and further complemented by molecular docking studies. Molecular docking

analyses presented best probable binding sites of the drugs into the protein pockets. The thermodynamics of binding was

estimated from the temperature dependent fluorescence experiments.Thus the present study explores the potential binding

properties of the well known sulfonamide drugs with myoglobin; correlating the structural& functional aspects and energetics

of the drug-protein interaction.

Keywords: Sulfanilamide, Myoglobin, Spectroscopy, Calorimetry, Molecular Docking, Thermodynamics

Figure 1. Chemical structures of (A) SMZ (B) SDZ and (C) Mb

71

AO-23

Pt/Co3O4 Surpasses Benchmark Pt/C: An Approach Toward Next

Generation Hydrogen Evolution Electrocatalyst

Rajkumar Jana,† Chandra Chowdhury,† Sudip Malik,*,‡ and Ayan Datta*,†

†School of Chemical Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata-32, India

‡School of Applied & Interdisciplinary Sciences, Association for the Cultivation of Science, Jadavpur, Kolkata-32, India

Abstract:

Rational design of composite hybrid structures tuned in atomic level interaction can circumvent the instability of the

water splitting catalysts. Here, low-temperature aqueous phase synthesis of a hybrid hydrogen evolution electrocatalyst

made of a few nanometer Pt clusters anchored on Co3O4 nanosheets with remarkable stability and superiority over the

state-of the-art Pt/C is achieved. Manipulation of cluster binding energy to support material gives rise to superior activity

(3.8 times) and extraordinarily enhanced durability. Pt/Co3O4 composite achieved current densities of 10 and 50

mA/cm2 at overpotentials as low as of 70 and 170 mV, respectively. A combinatorial approach of theory and experiment

opens an avenue to design HER catalyst beyond Pt/C.

Reference: Jana, R., Chowdhury, C., Malik, S., Datta, A., ACS Appl. Energy Mater.2019, 2, 5613−5621.

72

AO-24

Modification of Silver Nanoparticles to Spectrophotometric Sensor for Cysteine

Shamim Ahmed Khan, Tarun Kumar Misra*


Abstract

Silver nanoparticles (AgNPs) exhibit absorption bands for surface Plasmon resonance (SPR) in the visible region.1 The SPR

band is sensitive to its prevailing environment. The added foreign substance may change the SPR band position.2 Utilizing

such phenomenon researchers have developed nanoparticle-based sensors for biologically and chemically important

molecules or ions3. Amino acids are the building block of different essential proteins and take part in various biological

pathways. Therefore, their deficiencies trigger many diseases. So, evaluation of amino acids in patient’s samples is an

important task for diagnosis purpose. Cysteine is an important amino acid responsible for many diseases and its minute

determination is required for diseases diagnosis. We have modified AgNPs surface with N-(1-napththyl)ethylenediamine

(NEDA+) cations which are fluorescent active species but it is quenched when these cations adsorbed onto the surface of

AgNPs. This modified AgNPs has been used as a spectrophotometric sensor (Fig 1 and 2) for cysteine in its anionic and

neutral forms. The detection limits (LoD to LoL) of anionic cysteine are 0.1786-1.589 µM and 0.0851 - 2.0 µM. In case of real

sample matrix, it shows 95% recovery results. However, neutral cysteine is less sensitive; 0.307-2.7 µM and 0.135-2.78 µM.

Aggregation kinetics was studied for evaluating association constants. Thus, NEDA-AgNps can act as a dual-tool sensor for

quantification of cysteine, both anionic and neutral forms.

References

[1] N. G. Bastús, J. Piella, and V. F. Puntes, Langmuir, 2016, 32, 290–300.

[2] R. Choudhury, A. Purkayastha, D. Debnath, T.K. Misra, J. Mol. Recognit. 2016, 29, 452.

[3] R. Choudhury, T.K. Misra, Colloids Surfaces A Physicochem. Eng. Asp.2018, 545, 179.

73

AO-25

In Silico Identification of a Potent Arsenic Based Lead Drug Di-phenyl phenoxy roxarsone

against SARS-CoV-2

Joyita Dutta 1, Gourisankar Roymahapatra1*

1School of Applied Science and Humanties, Haldia Institute of Technology, Haldia 721657, India.

*Corresponding Author: G. Roymahapatra, (email: [email protected]; [email protected])

Abstract:

In this articlewe have tried to address to plausible identification of a novel lead drug molecule against COVID-19. A series of

arsenical roxarsone derivatives were designed optimized and analyzed with in silico study to search the inhibitor of novel-

corona viral replication or to stop the life cycle. The molecules were screened based on their chemical reactivity with respect

to conceptual density functional theory (CDFT) and global reactivity descriptors. All the derivatives were blindly docked using

iGEMDOCK v2.1 individually with RNA dependent RNA polymerase (RdRp) of SARS-CoV-2, as it appears to be the primary

target of antiviral drugs. Based on the idock score in the catalytic pocket di-phenyl-phenoxy roxarsone identified as promising

inhibitor against SARS-CoV-2 with binding free energy calculated as -86.8 kcal/mol. Site specific docking was also executed

with target site, receptor binding domain (RDB) of spike glycoprotein of SARS-CoV-2 whose structure was computationally

designed using Phyre2 server. The interaction study of RDB with di-phenyl-phenoxy roxarsone revealed a binding energy of -

133.3 kcal/mol. Thus it can be concluded from the above in silico experiment that screening of potential arsenic drugs would

help in development of new therapeutic drug for COVID-19.

Key Word: Drug molecule design, di-phenyl-phenoxy roxarsone, COVID-19

74

AO-26

Synthesis, characterization, DNA binding and biological activity of

one Copper(II) Schiff base complex

Niladri Biswasa, Chirantan Roy Choudhurya*


West Bengal State University, Barasat,


Abstract

Transition metal complexes with Schiff base ligands provide an interesting area for many chemists as well as biologists in

several research fields. The interaction of such kinds of metal complexes with DNA has been widely studied to develop

probes for the nucleic acid structures and chemotherapic agents. These type of complexes generally bind to DNA by

electrostatic binding, groove binding, intercalative binding or partial intercalative binding. In this present work, one dinuclear

copper(II) thiosemicarbazide complex, [Cu2(L1)2(N3)2], has beensynthesised and characterised by elemental analysis, IR, UV-

Vis, cyclic voltammetry and singlecrystal X-ray structure analysis. The DNA binding properties of copper(II) complex are

explored by employing UV-Vis, fluorescence spectral methods, cyclic voltammetry and also viscosity measurements. Protein

binding behaviour in vitro is studied by multispectroscopictechniques using both BSA and HSA. Furthermore, the molecular

docking technique has also been used toascertain the mechanism of action of the complex towards DNA, BSA and HSA.

Notably, the in vitrocytotoxicity of complextowards two cell lines (AGS and A549 cancer cells) demonstrates that complexhas

very good broad spectrum anticancer activity.

75

AO-27

Differential effect of selenourea and selenocystine on methemoglobinemia in nondiabetics and diabetics

Debashree Das1, Souvik Sen2, Kamalika Sen1*

1 Department of Chemistry, University of Calcutta, 92, APC Road Kolkata 700009

2 KPC Medical College & Hospital, 1F, Raja Subodh Chandra Mullick Road, Jadavpur, Kolkata, West Bengal 700032, India

Abstract: Organoselenium drugs like selenourea (SeU) and selenocystine (SeC) are found to exhibit potential anticancer

activity. However, little isknown about the interaction of these selenium containing drugs with the vital erythroidprotein

hemoglobin.Here, a comparative study of the interaction of organoselenium drugs with hemoglobin and heme moiety has

been performed using different spectroscopic techniques to find out their role on drug induced methemoglobinemia, a

hematological disorder caused due to excessive conversion of Fe2+ to Fe3+ in hemoglobin. We found that though these two

drugs have similar binding affinity towards hemoglobin, they have differential interactions with the heme group. SeU itself had

no effect on the absorption maxima of HbA at 630 nm with respect to time even with 400 µM concentration. However, it was

rapidly converted to nanoselenium in presence of nitrite and there was an increase in the absorbance rate at 630 nm in

presence of nitrite owing to the generation of reactive oxygen species in the medium. On the contrary, for similar ratio of

metHb to SeC (1:8), % reduction of metHb was found to be 27.46 ± 0.82 and 16.1 ± 2.4 for non-diabetic and diabetic

samples respectively, which implies lower efficiency of SeC in diabetics.

76

AO-28

Detection of alpha-emitting 238U using radiotracer by liquid scintillation counter-triple-to-double-coincidence ratio

technique

Nabanita Naskar1,*, Sayantani Mitra1,2, Susanta Lahiri1

1Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata-700064, India

2Department of Environmental Science, University of Calcutta, Kolkata-700019, India


U has three natural long-lived isotopes: U-238 (99.2742%; T1/2=4.468×109a), U-235 (0.7204%; T1/2=7.04×108a) and U-234

(0.0054%; T1/2= 2.455×105a). All have weak radioactivity however, U-238 is the common radioisotope and naturally occurring

primordial radionuclide. Presence of U-238 is often at trace concentrations in environmental samples, especially in

aqueous/water medium where it forms mobile uranyl ions. In many cases, decay properties of U-238 is considered for their

quantitative measurement in aqueous samples using liquid scintillation counter-triple-to-double coincidence ratio (LSC-TDCR).

However, reliable detection of alpha-emitting 238U depends on several chemical and physical parameters. To understand the

chemical behavior of 238U, different strengths of uranyl nitrate (UO2(NO3)) solution were prepared viz., 0.05, 0.1, 0.5, 1, 5, 10,

50, 100, 200 ppm U. 1 ppm U corresponds to ~0.114 Bq. In each case, 8 mL of U was mixed with 12 mL cocktail (an important

component in alpha-beta counting) and counted in LSC for 600 s. It was observed that lower U concentration (<10 ppm), alpha

activity could not be detected efficiently but at higher strengths, reliable activity was obtained. In respective cases, proper

blanks and references were prepared and counted in similar manner. From this study, it may be concluded that alpha-emitting

238U is detectable in LSC but with proper sample and standard preparations, amount of cocktail, instrumental parameters like

window settings, pulse length index, etc.

Reference:

[1] Naskar, N., et al. (2020). Radiogenic Quality Assessment of ground and riverine water samples collected from Indian

Sundarbans. Environ. Res. DOI: 10.1016/j.envres.2020.109407

77

AO-29

MOLECULAR DYNAMICS STUDIES OF EFFECTS OF GLUCOSE ON LIPID BILAYER

Somdev Pahari, Prof. Madhurima Jana

Department of Chemistry, National Institute of Technology, Odisha, India


The crucial functional characteristics of a cell membrane, such as the dipole potential, hydration forces, excluded volume, etc.

depend on the orientation of interfacial water molecules. Further saccharides molecules are found to be accumulated by

several organisms to preserve bio membranes against various stresses like, temperature, oxidative, osmotic etc.1-3

Therefore, understanding membrane-saccharide interaction has been of great interest for the scientific community. There

exist few contrasting hypotheses on membrane-saccharide interactions that motivated us to explore the saccharide

concentration dependent modulation of lipid bilayer properties. In the present report we performed a series of molecular

dynamics (MD) simulations of 1, 2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayer and glucose molecules with

varying concentrations. Emphasis has been given to study the reshaping of the DMPC bilayer by developing our own code.

We find that the thickness of bilayer decreases in presence of glucose, thereby making the DMPC bilayer thinner. Electron

density profile, curvature of bilayer, diffusivity of lipid molecules and hydrogen bonding indicates that higher concentration of

glucose stabilize the bilayer structure. We believe that our study would provide molecular level of understanding on the

membrane-saccharide interactions responsible to preserve the cell structure and biological functions.

REFERENCES

1. Steponkus, P. L.; Webb, M. S. Freeze-Induced Dehydration and Membrane Destabilization in Plants. In Water and Life:

Comparative Analysis of Water Relationships at the Organismic, Cellular, and Molecular Levels; Somero, G. N., Osmond, C.

B., Bolis, C. L., Eds.; Springer-Verlag: Berlin, Germany, 1992.

2. Thilo, L.; Trauble, H.; Overath, P., Low serum cholesterol and suicide, Biochemistry 1977, 16, 1283– 1290.

3. Welti, R.; Rintoul, D. A.; Goodsaid-Zalduondo, F.; Felder, S.; Silbert, D. F., Gel phase phospholipid in the plasma

membrane of sterol-depleted mouse LM cells. Analysis by fluorescence polarization and x-ray diffraction. J. Biol. Chem. 1981,

256, 7528–35

78

AO-30

Spectroscopic Studies of Sorbitol-Caffeine Interactions for Plausible Remediation of Diabetic Neuropathy

Bhavya Srivastava1, Souvik Sen2 and Kamalika Sen1*

1Department of Chemistry, University of Calcutta, 92 A. P. C. Road, Kolkata 700009, India

2K. P. C. Medical College, 1F, Raja Subodh Chandra Mullick Road, Jadavpur, Kolkata, 700032, India


Abstract

Diabetic neuropathy (DN) is linked with the accumulation and oxidation of sorbitol, formed in the polyol pathway giving

fructose and advanced glycation end products (AGE), which are potential sources of hyperglycemia-induced oxidative

stress[1]. The measure of sorbitol in serum thus can act as a good indicator in the diagnosis and monitoring of the diabetic

complications[2]. To analyse the sorbitol level in serum medium, fluorometric enzymatic assay was performed[3]. To remove

the excess sorbitol from the body, proposed binding of sorbitol with caffeine was investigated. Their interaction in serum

medium was studied and established by UV-Vis, fluorescence spectrophotometry and time-correlated single photon counting

(TCSPC). The linear calibration of sorbitol (in the range 10 mM-50 mM) was done using UV-Vis spectrophotometry. Time

scan experiments furnished the reaction rate of sorbitol assayed solution as well as sorbitol-caffeine complex as 0.021 min-1

and 0.018 min-1 respectively. A sudden drop was observed in the fluorescence lifetime of NADH present in sorbitol assayed

solution upon complexation with caffeine i.e., from 1.774E-09 to 1.23E-10 s; which indicates the hindrance in the formation of

NADH and the probable formation of some other species. Isothermal titration calorimetric (ITC) experiments clearly indicate

the number of binding sites (i.e., 3.89, 1.40, 2.07) that exist between sorbitol and caffeine at the complexation ratio of 1:1.2,

1:1.5 and 1:3. The present method can be helpful in pharmacological and therapeutic studies of sorbitol using caffeine for

treating diabetic neuropathy.

References:

[1] Shi, G. J., Shi, G. R., Zhou, J. Y., Zhang,W. J., Gao,C. Y., Jiang,Y. P., Zi,Z. G.,Zhao, H. H., Yang,Y.,& Yu, J. Q.

(2018) Biomed. Pharmacother.101, 510-527.

[2] Amin, R., Ali, R. S., Hidayat, R., Permana, H., Kartasasmita, A. S., & Hilmanto, D. (2017) Int. J. Biol. Med. Res. 8, 6020-

6022.

[3] Shinohara, R., Ohta, Y., Yamauchi, M., & Ishiguro, I. (1998) Clin. Chim. Acta273, 171-184.

79

AO-31

Nitrogen Doped Carbon Quantum Dots-MnO2 Nanowires Based Fluorescence Probe for Detection of Cholesterol and

Glucose

Lakshita Dewangan, Manmohan L. Satnami School of Studies in Chemistry,

Pt. Ravishankar Shukla University, Raipur (C.G.) – 492010 Email: [email protected]

Abstract

Cholesterol and Glucose is clinically important analytes in human fluids and their sensitive detection is significant in

diagnosis. In this study, FRET based fluorescence “switch-off-on” of Nitrogen doped Carbon Quantum Dots (N-CQD) in the

presence of MnO2 Nanowires have been successfully applied to fabricate a fluoremetric biosensing platform for detection of

Glucose and Cholesterol. The Cholesterol and Glucose could be oxidised by Cholesterol oxidase (ChOx) and Glucose

oxidase (GOx) in accompanied with the formation of H2O2 intermediate. The H2O2 thus produced resulted in the

decomposition of MnO2 Nanowires (brown) to give Mn2+ ions (colorless), which induced the absorption of MnO2 Nanowires

decreased and the fluorescence of N-CQDs increased consequently. The linear detection ranges of Glucose and Cholesterol

are obtained in µmol range by fluorescent method. This strategy gives a new selection of eco-friendly precursors in carbon

nanomaterials and such a consecutive recognition process provides valuable insights for bio-analysis.

Keywords: N-CQD, MnO2 Nanowires, Cholesterol Oxidase, Glucose Oxidase, Cholesterol, Glucose.

80

AO-32

Sugar Based Xerogelfor Environmental Remediation

DipikaPan, Nira Parshi, JhumaGanguly*

Department of Chemistry, Indian Institute of Engineering Science and Technology, Shibpur, Howrah,

West Bengal-711103, India

E-mail: [email protected]* and [email protected]

Hydrogelis cross linked visco-elastic materials in presences of water molecules in three-dimensional network. The

hydrogel is rehabilitated to solid, Xerogel on dehydration of hydrogel. Xerogel has a few advantageous over hydrogel in terms

of enormous surface area, high porosity along with very small pore size, easier to handle and preservation. Here, a new

functionalized Xerogel has been developed from hydrogel of Chitosan/Cinnamaldehyde (CC, Fig.1).The driedCCis

characterized by the conventionaltechniques [1] and the efficiency in adsorption for its large surface area has been studied

with two model food additives, Carmoisine and Tartrazine in aqueous environment (Fig.2). These additives for food are

neurotoxic and allergic for human health and also in excess, may affect the liver of animal body. The optimization of operative

and prolonged adsorption capacity of CC has been investigated with variable environmental stimuli, concentration and time

using spectrophotometer. [2]The consecutive performance of the xerogel extends its sustainability as material and the sugar

based resources causes no further toxic wastes during remediation application.

References

[1]Nira Parshi, Dipika Pan, Vishal Dhavle, Biswajit Jana, Santu Maity, Jhuma Ganguly, International Journal of Biological

Macromolecules,1411 , 2019, 626-635

[2]S. Maity, N. Parshi, C. Prodhan, K. Chaudhuri, J. Ganguly, Carbohydr. Polym.,2018, 193, 119

Fig.2.Real image of food color adsorption

81

AO-33

Nanorings in Photodynamic Therapy

Dr Moumita Gangopadhyay*

*Assistant Professor, Department of Chemistry, Ghatal Rabindra Satabarsiki Mahavidyalaya, Ghatal, Paschim Medinipur

721212, West Bengal, India, E-mail: [email protected],

Photodynamic therapy (PDT) is one of the most promising cancer treatments of the modern era due to its non-invasive mode

of operation. PDT is a light-induced treatment modality involving a photosensitizer (PS), which absorbs light to reach its

excited state, wherefrom it can generate various reactive oxygen species (ROS), e.g. singlet oxygen, hydroxyl radical,

superoxide radical, etc.1 The hydrophobicity of first-generation PSs were a major drawback for in-vivo application,and

nanoparticle-mediated PSs were developed to overcome this drawback.2 The unique physical properties of

nanoparticles,such as their small size, shape, and large surface area, made them easily permeable inside the tumor cells.

Various nanoparticles have found extensive applications in in-vivo PDT, e.g. polymeric,4 organic,4 inorganic,3 semiconducting

metal-based nanoparticles,3 quantum dots,5 carbon dots, MOF,6 etc. Recent advancements in nanoparticle-based PDT have

revealed that nanorings show highly promising results.7 Researchers have reported that atomic-level nanostructures like

nanorings can provide larger surface area and better localized surface plasmon resonance than conventional nanoparticles,

which in turn afford better loading capacity for the PSs and extremely high photothermal conversion efficiency.

References

1. D. K. Chatterjee, L.S. Fong, Y. Zhang, Adv. Drug Delivery Rev.2008, 60, 1627-1637.

2. E. D. Sternberg, D. Dolphin, C. Brickner,Tetrahedron1998, 54, 4151–4202.

3. M. Sivasubramanian, Y. C. Chuang, L-W. Lo, Molecules2019, 24, 520-537.

4. Y-E K. Lee, R. Kopelman, Methods Mol Biol2011, 726, 151-178.

5. P. N. Joshi, J Anal Pharm Res2016, 3, 55-58.

6. J. Lu, L. Yang, W. Zhang, P. Li, X. Gao, W. Zhang, H. Wang, B. Tang, Chem. Commun., 2019, 55, 10792-10795.

7. Y. Wang,N. Gong,Y. Li,Q. Lu, X. Wang,J. Li,J. Am. Chem. Soc. 2020, 142, 1735−1739.

82

AO-34

Backbone Boron-Functionalized Imidazole Derivatives as Fluoride Sensors and as Ligand for Luminescent Copper

Complexes

Iruthayaraj Avinash, Sabeeha Parveen and Dr. Ganapathi Anantharaman

Department of Chemistry, Indian Institute of Technology Kanpur, U.P.-208016, India

Email: [email protected], [email protected]; Whatsapp No.: 9198048280

Backbone functionalization of imidazoles/imidazolium salts with Lewis base/donor group has drawn notable attention due to

their interesting coordination chemistry and the application of their metal complexes in catalysis, medicine, and materials.1

However, backbone-functionalization of imidazoles with Lewis acidic/acceptor groups are less explored. The incorporation of

a Lewis acidic group such as diarylborane (BAr2) at the backbone of imidazole could lead to interesting properties such as

luminescence and ambiphilic nature. Hence these molecules can be used as (i) efficient optical sensors for fluoride ions

whose contamination in drinking water has caused adverse effect to human health and (ii) ambiphilic ligands to synthesize

luminescent metal complexes.

In our pursuit towards the chemistry of novel and useful heteroatom-functionalized imidazole derivatives,2 in this work,

incorporation of a Lewis acidic BMes2 moiety at imidazole backbone has been achieved by metal-halogen exchange

procedure.3 Among them, two isomeric boron/phosphine-functionalized imidazoles, monoboron-functionalized imidazoles and

their imidazolium salts were synthesized. The metalation studies of BMes2 substituted P^N type imidazole ligand with CuI

afforded luminescent L2Cu4I4 type metal complexes. The fluoride sensing properties of BMes2 containing imidazole

derivatives were studied. In this oral presentation, the synthesis, reactivity, metalation and fluoride sensing studies of

backbone boron-functionalized imidazole derivatives will be discussed.

References:

1. (a) Bates, J. I.; Kennepohl, P.; Gates, D. P., Angew. Chem. Int. Ed. 2009, 48, 9844-9847; (b) Mendoza-Espinosa, D.;

Donnadieu, B.; Bertrand, G. Chem. - Asian J. 2011, 6, 1099– 1103.(c) Ruiz, J.; Mesa, A. F., Chem. Eur. J. 2012, 18, 4485-

4488; (d) Zhang, Y.; César, V.; Storch, G.; Lugan, N.; Lavigne, G., Angew. Chem. Int. Ed. 2014, 53, 6482-6486. (e) Ruiz, J.;

Mesa, A. F.; Sol, D., Organometallics 2015, 34, 5129-5135.

2. (a) Karthik, V.; Bhat, I. A.; Anantharaman, G., Organometallics 2013, 32, 7006-7013; (b) Karthik, V.; Gupta, V.;

Anantharaman, G., Organometallics 2014, 33, 6218-6222; (c) Tripathi, S.; Anantharaman, G., CrystEngComm 2015, 17,

2754-2768; (d) Karthik, V.; Gupta, V.; Anantharaman, G., Organometallics 2015, 34, 3713-3720; (e) Gupta, V.; Karthik, V.;

Anantharaman, G., RSC Adv. 2015, 5, 87888-87896; (f) Avinash, I.; Gupta, V.; Karthik, V.; Anantharaman, G., J. Organomet.

Chem 2017, 851, 104-114; (g) Avinash, I.; Parveen, S.; Anantharaman, G., J. Indian Chem. Soc. 2018, 95, 713-719.

3. Avinash, I.; Parveen, S.; Anantharaman, G., Inorg. Chem., 2020, 59, 5646-5661.

83

AO-35

First Example of Copper(I) Catalyzed Decarboalkoxymethylation of Alkyl 2-[1-(Pyridin-2-yl)-1H-pyrrol-2-yl]acetates

Sk Asraf Ali

Department of Chemistry, University of Calcutta, e-mail: [email protected]

Defunctionalization reactions have an important role for chemical synthesis especially for the preparation of simple organic

moiety from complex organic moiety. The greater bond dissociation energy of C-C bond or Carbon-heteroatom bond is the

main limitation of removal of functional groups. This higher activation energy of C-X bond form metal carbanion complex

which is the key intermediate of defunctionalization as well as the cross coupling reactions.Recently, chelation-assisted

transition-metal catalysed C-C/C-N bond formation has been powerful tool for selective organic transformation. Furthermore,

this strategy also provides a platform to execute previously unattainable reactions with more abundant and less expensive

first-row transition metals. Extensive study has been done over the decarboxylation reaction of aromatic or

heteroaromatic system via copper catalyst but metal assisted deesterifications are limited in recent era. Keeping

challenge in mind, we have first developed a copper-catalysed, pyridyl directed decarboalkoxymethylation of methyl 2-(1-

(pyridin-2-yl)-1H-pyrrol-2-yl)acetate derivatives. Moreover, the same transformation has been achieved by the metal free

simple approach via alkali mediate hydrolysis followed by the acidic workup. This methodology provided large array of

bicycle/tricyclic 2,5 unsubstituted fused pyrrole derivatives. The detailed mechanistic investigation and limitation of our

methodology also documented in this study.

84

AO-36

Construing the binding mechanism of Yohimbine with heme protein: A Biophysical Approach

Vibeizonuo Rupreo and Jhimli Bhattacharyya

Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur 797103, Nagaland, INDIA ,


Yohimbine (Yoh) is one of the most noted indole alkaloids with rich chemical and medical applications. This bio-active

compound is traditionally extracted from the bark of African yohimbe tree (Pausinystalia yohimbe). It is used as an

aphrodisiac since ages, but also is claimed to exhibit beneficial properties in the management of dysmenorrhoea,

hypertension, fevers, leprosy, coughs, antidiuresis, and as an anaesthetic. Looking at the vast applications of Yoh, it is well

understood that elucidation of binding interaction of this alkaloid with bio-macromolecules e.g., proteins, followed by

estimation of thermodynamic profile will be beneficial towards sustainable drug development. Thus we report the interaction

studies of Yoh and the oxygen transporting heme protein, haemoglobin (Hb) using various spectroscopic techniques (UV-Vis,

fluorescence, FTIR) and finally estimated the overall dynamics of the binding phenomenon. Stable 1:1 complex formation

between Hb and Yoh with good binding affinity (order of the binding constant is 105 M-1 at 298 K). Occurrence of isosbestic

point in the absorption spectra indicates equilibrium between the free drug and the bound drug with Hb. The conformational

perturbation of Hb structure was revealed by infra red (IR) data due to incorporation of the drug inside the 3D protein moiety.

Thermodynamics of the interaction was estimated from the temp dependent fluorescence experiments.

Keywords: Yohimbine, Indole alkaloid, Myoglobin, Protein-Drug Interaction

Acknowledgement: This academic research work is supported by NER-Twinning Project Scheme, DBT, Govt. of India and

TEQIP-III, NIT Nagaland. Authors acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and

Integrative Biology, New Delhi (collaborator of the twinning scheme mentioned above).

85

AO-37

Aldolase Cascade by Self Assembled Nanotubes of Short Peptide Amphiphile

Antara Reja

IISER, Kolkata

Present biology uses a number of highly evolved enzymes in complex chemical networks to achieve the cascade of events

required for anabolic and catabolic pathways. The remarkable catalytic prowess of such modern enzymes arises from

complex three-dimensional structures accessed by long peptide sequence which folds to create binding sites featuring

specific resides. Precise arrangement of such residues helps in manipulating protonation events, inducing a charge-transfer

relay network to polarize and activate nucleophile or electrophile and so forth. Interestingly, unlike extant enzymes which work

on very specific substrates and usually specialize in only one reaction, the primitive catalyst had very broad specificities.

Fewer rudimentary enzymes showed promiscuity in the primordial conditions as they were capable of working on multiple

substrates, catalyzing forward and reverse steps for the cascade of reactions required for early metabolic capabilities and

thus contributed greatly towards enrichment of the chemical inventory. Gradual divergence towards specialized roles of

enzymes happened through duplication, mutation and selection which led to the existing diversity of biocatalysts and their role

towards increased metabolic efficiency. For instance, modern aldolases act as lyases which use lysine and tyrosine in the

binding pockets for selectively catalyzing the forward and the reverse steps of the aldol cascade. Carbon-carbon bond

manipulation is critical for diverse reactions, from formose reaction to modern metabolic pathways such as Calvin cycle and

glycolysis. We asked whether a short peptide capable of accessing homogenous nanostructures would be able to foreshadow

the generation of an enzyme binding pocket and catalyze both the forward and reverse steps of C-C bond cascade

transformations. Towards this end, we report self-assembled nanotubes capable of carrying out two of the most critical

transformations in extant biology, selective carbon-carbon bond breaking/formation, and importantly directing cascade

reactions for specific condensation product distribution.

86

Award Papers

Award Poster (1 – 11)

87

AP-1

Bi-dented Schiff Base Coordinated Cu (II) and Zn (II) Complexes : Synthesis, Crystal Structure, DNA/Protein Binding,

Molecular Modelling Study and cellular nuclear morphology

Manik Das1 and Tithi Maity2*

1Department of Chemistry, Prabhat Kumar College, Contai, Email: [email protected]

2 Department of Chemistry, Prabhat Kumar College, Contai, Email: [email protected]

Abstract:

Two new metal complexes of Cu(II)1 and Zn(II) 2having two bi dented two Schiff base ligands (E)-4-bromo-2-(((4-

bromophenyl)imino)methyl)phenol (HL1) and (E)-2-(((4-bromophenyl)imino)methyl)phenol (HL2) have been synthesized and

identified by CHN analysis and UV and NMR spectroscopy. Single crystal X-ray analysis revealed that the two complexes

are mononuclear four coordinated system and there are substantive CH...π and π...π interaction in the crystal packing of

complex 1 and 2 respectively. After thorough characterization, the complexes are exploited to check their bio-medical

applications. The efficacy of the complexes with respect to the interaction with DNA and protein were investigated by adopting

electronic spectral titration,circular dichroism spectal titration and viscosity measurement. The fluorescence intensity

quenching of Ethedium Bromide-DNA adduct and HSA after gradual addition of incremental concentration of complexes with

quenching constant in the order of 105 M-1 clearly indicate the effective interaction of the complex 1 and 2 with DNA/protein.

The binding constant value shows that complex 2 has higher DNA binding ability than complex 1 where as in case of HSA the

situation appeared to be reverse. Molecular docking study will exhibit a good justification of the experimental result. Moreover

the cellular staining technique with AO and PI unveil early apoptosis process by the complexes.

88

AP-2

A fight between Defense Weapons of the Immune System and COVID-19 virus

Ananya Das Mahapatra, Dr. D. Chattopadhyay, Prof. Chittaranjan Sinha

ICMR – National Institute of Cholera and Enteric Diseases

P-3, C.I.T Road, Scheme – XM, Beliaghata, Kolkata – 700010

Abstract: The Coronavirus disease 19 (COVID-19) is a highly transmittable and pathogenic viral infection caused by severe acute

respiratory syndrome Coronavirus-2 (SARS-CoV-2), which first occurred in Wuhan City, Hubei Province, China and spread

around the world.On January 30, 2020 the World Health Organization declared the outbreak as a Public Health Emergency of

International Concern. If our immune system unable to fight back the virus goes down the wind pipe and infect lungs and it

hampers gas exchange through lungs. In addition, most of patients with severe COVID-19 displayed significantly increased

serum levels of pro-inflammatory cytokines (e.g. IL-6, IL-1β, IL-2, IL-8, IL-17, G-CSF, GM-CSF, IP-10, MCP-1, CCL3, and

TNFα) and particularly, the massive “cytokine storm” reflects a widespread uncontrolled dysregulation of the host immune

defense. Thus, given the key role of the immune system in COVID-19, thoughtful machinery behind the immune

dysregulation might give us clues for the management of the severe cases and for preventing the transition from mild to

severe stages. We would like to highlight about the story behind global crisis due to COVID-19 disease severity and immune

response.

89

AP-3

New Insights into Interactions between Anti-Alzheimer’s drugs and Functionalized-Ionic Liquid

Srishti Sharma and Kallol K Ghosh*

*School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.),492010


Considering the imminent role of ionic liquids in pharmaceutical industry, the interaction of amino acid functionalized-ionic

liquid (AIL) i.e., 4-((hydroxyimino)methyl)-1-(2-(octylamino)-2-oxoethyl)pyridin-1-iumbromideO=C(NCCCCCCCC)

C[N+]1=CC=C (C=NO)C=C1.[Br-] abbreviated as 4-PyC8with anti-Alzheimer’s drugs viz. 1,2,3,4-tetrahydroacridin-9-amine

(tacrine) and 7-methoxy-N-(2-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethyl)-1,2,3,4-tetrahydroacridin-9-amine

trihydrochloride (PC-37) have been studied at physiological conditions. Here, tacrine is a standard whereas PC-37 is a

synthesized anti-Alzheimer’s drug. The inclusion complexation, characterization and binding ability of 4-PyC8 and anti-

Alzheimer’s drugs has been investigated both in aqueous and solid state by UV-vis, fluorescence, FTIR and 1H NMR, COSY

and NOESY spectroscopy. The UV-vis spectroscopy study confirms the formation of a new complex between IL-anti-

Alzheimer’s drugs and FTIR confirms their interaction. The shifts in the 1H NMR spectra also supports that the IL has

interacted with drugs. The results obtained from 1H NMR is in agreement with FTIR. The current investigation unravels that

the IL w

90

AP-4

Mesoporous Boron Carbon Nitride (BCN): A Robust Material for Ultrafast Dye Degradation

Indrapal Karbhal

School of Studies in Chemistry, Pt. Ravishankar Shukla University Raipur (C.G.)


Mesoporous Boron Carbon Nitride has been synthesized by a very facile method using silica nanoparticles as a template.

Boric acid, cyanamide and glucose have been used as a source of boron, nitrogen and carbon respectively. Doping of B and

N play a key role to degrade the dyes and both the B and N act as electrophile and nucleophile respectively, which are

responsible for the degradation of the dyes. The following dyes such as methylene blue (MB), rhodamine B (RB) and methyl

orange (MO) have been treated with mesoporous Boron Carbon Nitride and the very exciting result were obtained, the dyes

were degraded within 5-10 min under visible light. Around 80-90 % of dye degraded within a very short time due to material

properties such as high surface area as well as B and N doped playing a key role to generate hydrophilicity and increases the

wettability as well as unique porous morphology to access the dye. All the properties show the material is a robust and active

metal-free catalyst for dye degradation and the advantage of the material is very cheap, scalable and reusable.

Abstract: Boron Carbon Nitride (BCN), Dye degradation, Metal-free catalyst, methylene blue (MB), rhodamine B (RB) and methyl orange (MO)

91

AP-5

Acid Mine DrainageAggregation Behaviour ofCationic and Anionic Surfactants in

presence of Imidazolium Based Ionic Liquid

Lavkesh Kumar Singh Tanwar,and Kallol K. Ghosh*

School of Study in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010 (C.G.)


Abstract:

Herein, theaggregation behaviour ofcationic and anionic surfactants, [cetyl-trimethylammonium bromide (CTAB) and sodium

dodecyl sulphate (SDS)] have been investigated in different wt% of ionic liquid (IL) viz. 1-decyl-3-methyl-imidazolium tetra

fluoroborate [Dmim][BF4]in aqueous medium.Significantparameters, such ascritical micelle concentration(CMC), interfacial

and thermodynamic parameters have beencalculatedusing surfacetensiometery and conductivity measurements.The

aggregation behaviour (Nagg) and Stern-Volmer constant (Ksv) has been evaluated using fluorescence spectroscopic

technique via.steady-state fluorescence quenching method.Micellization behaviour of surfactants have been studied by FTIR

spectroscopy.It has been observed that CMC value of SDS significantly decrease on interaction with different wt% of

[Dmim][BF4] IL which may be due to the stronger electrostatic interaction of��ions (SDS) with imidazoliumcation of

[Dmim][BF4] IL, whereas, no significant changes was observed in case of CTAB.This studyconclude that the CMC values of

pure surfactants decreases in the presence of different wt% of IL,while SDS shows significant decrease in the CMC values.

92

AP-6

Studies of Host-Guest supra molecular inclusion complexation between functionalized

Ionic Liquid and Cyclodextrins

Subhashree Jayesh Pandya and Kallol K Ghosh*

School of Studies in Chemistry,

Pt. Ravishankar Shukla University, Raipur (C.G.)492010, India.

E-mail:[email protected]

Abstract:

Host-guest complexation between oxime functionalized ionic liquid (IL) (S)-2-((hydroxyimino)methyl)-1-(2-((1-(octylamino)-1-

oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)pyridin-1-ium bromide (2-PyPheC8)with cyclodextrins (α and β CDs) have been

studied. The formation of inclusion complexes (ICs) were confirmed by UV–vis spectroscopywhich further have been

validated byFT-IR,1H NMR and COSY methods.The binding constant of ICs complex was determined byUV–vis spectroscopy

and the effect oftemperature was also checked. Job's plot methodrevealed formation of 1:1 stoichiometry. Significant

thermodynamic parameters like enthalpy (∆H), entropy (∆S) and Gibb’s free energy (∆G) were also calculated. The H-

bonding, electrostatic force and hydrophobic interactions were involved in the formation of complexation.

93

AP-7

Photoluminescence Amplification of Cerium Attached Graphene Oxide Nanoparticles:

Exploration of the Role of Cerium

Dinesh Kumar Pyne[a], Tuyan Biswas[a], Shovon Chatterjee[b], Arnab Halder[a]*

[a]Department of Chemistry, Presidency University, Kolkata 700073, India.


[b] Department of Chemistry, IIT Kanpur, Kanpur-208016, India.

Abstract:

Amplification of photoluminescence intensity of graphene oxide based nanoparticles (GONP) has becoming a major

challenge in material science because of excellent applicability of the materials in optoelectronics, fluorescence-imaging,

optical sensing and drug delivery. Success is still untouched in spite of several attempts by tagging of organic dye molecule

and the complexes of lanthanide elements. Here, we report an one-pot synthesis to develop highly luminescence GONP

incorporated with cerium ions to study the origin of photoluminescence amplification depending upon binding modes of

cerium ions with GONP. Although the aqueous chemistry of cerium ion facilates the existence of non-emissive Ce (IV), but,

the binding of trivalent luminescent cerium in the core of the GONP and the photoinduced reduction of Ce (IV) by GONP

through different non-radiative pathways involving low lying states of GONP results more than 100 fold amplification of

photoluminescence intensity compared to GO. The mode of interaction and energy transfer have been investigated to

understand the photoluminescence enhancement by using steady state as well as time resolved luminescence spectroscopy.

Presence of two oxidation states of cerium has been confirmed by XPS.

Keywords: Graphene oxide, Nanoparticles, Photoinduced reduction, Energy transfer.

Reference:

1. X.-P. Wu, L. Gagliardi, D. G. Truhlar, J. Am. Chem. Soc. 2018, 140, 7904.

2. B. Liu, J. Xie, H. Ma, X. Zhang, Y. Pan, J. Lv, H. Ge, N. Ren, H. Su, X. Xie, L. Huang, W. Huang, Small. 2017, 13,

1601001.

94

AP-8

A Study of Removal of Methylene Blue Using Ceramic Pellets

Priyanka Sharma and Kushal Qanungo Division of Chemistry, University Institute of Science, Chandigarh University, Gharuan, Mohali, Punjab- 140413, E-mail:

[email protected]

Abstract:

Cylindrical ceramic pellets of 6 mm diameter and 5 mm height, have been prepared using low fire clay and water in mild steel

mould and fired at 850 ºC in a muffle furnace. The pellets have been used to absorb a cationic dye methylene blue from

aqueous solutions. We present here a study of methylene blue removal by these pellets using several kinetic models to

understand the kinetics of adsorption process.

95

AP-9

Cu-MOF Interwoven rGO as a High Capacity Supercapacitor Electrode Material

Mayank K Singh1#, Anoop K Gupta2#, Sarathkumar K1, Dhirendra K Rai1*

1Discipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore

2Discipline of Chemistry, Indian Institute of Technology Indore

#Equal Contribution, *Corresponding author: [email protected]

ABSTRACT

In this epoch of energy crisis, there is a continuous mismatch of energy demand and supply.To overcome this sustained

problem, a possible solution is to design high-efficiency energy storage materials.In this work, Cu-MOF has been synthesized

using a tetracarboxylic acid linker (H4L: 3,3’,5,5’-tetracarboxydiphenylmethane) by solvothermal technique, which has been

used to fabricate a composite with rGO (reduce graphene oxide) using an eco-friendly, fast and simple ultrasonication

approach. The resulting Cu-MOF-rGO composite was probed by various physicochemical characterization techniques. The

supercapacitor performance of the materials, investigated by cyclic voltammetry (CV), galvanostatic charge/discharge (GCD),

cyclic performance, and electrochemical impedance spectroscopy (EIS), shows that the composite material exhibits high

specific capacitance (CS) of 366.6 Fg-1 at 1A g-1with excellent cyclic stability.All the results suggest that as-prepared material

could be a promising candidate for electrode material in supercapacitor applications.

Figure 1: Schematic illustration of hybrid material for energy storage application

Keywords: Hybrid Materials, Supercapacitor, Ultrasonication, Eco-friendly, Cyclic voltammetry, Specific Capacitance

96

AP-10

Identification of Natural Products Possessing Glucagon Like Peptide-1 Receptor Agonist Activity from the

Plants Recognized to have AntiDiabetic Potential

Debanjan Chatterjee 1 , Asutosh Goswami 1 ,Alok Jain1 , Abhijeet S. Kate*

National Institute of Pharmaceutical Education and Research (NIPER)-Ahmedabad ,Opposite Air force base station Palaj

,Gandhinagar, Gujarat-382355,India *Corresponding author – [email protected]

Abstract:

Diabetes mellitus is a chronic metabolic disorder responsible for morbidity in the western world and is gradually becoming

prevalent in developing countries too. Hypoglycaemia(Sulfonylurea),diarrhoea (Biguanide) are major issues of available

therapies for T2DM . Extensive research brings out various new targets including Glucagon Like Peptide-1(one synthetic drug

is recently approved by USFDA, Rybelsus by Novo Nordisk), is the newest therapeutic targets and it is also increases the

insulin secretion, reduces gastric emptiness, increase glucose uptake and storage in skeletal muscle and liver. But this orally

bioavailable semaglutide is costlier (774$ per month) for the T2DM sufferers of developing countries. Natural products has a

vast history for curing disease and it contains different varieties of skeletons with various bioactivities, provides a great

opportunity for the development of new lead or drugs with potent activity as GLP-1R agonist. Initially 251 small molecules

were selected for in silico study based on their preliminary in vitro anti diabetic activity in different cell line. Among these 251

compounds ‘A’ , ‘B’, ‘C’, ‘D’, ‘E’ , ‘F’ have shown good in silico anti diabetic activity in different molecular docking software

based on their binding affinity and interaction with different amino acid against GLP-1 model . Depending upon the in silico

data top screened molecules, two molecules is isolated by targeted isolation in sufficient quantity .Then the structure is

confirmed by characterization study and finally in vitro GLP- 1 assay and molecular dynamics study, will be performed for the

establishment of mechanism of action.

Acknowledgements Dr.Abhijeet S.Kate , Dr.Alok Jain National Institute Of Pharmaceutical Education and Research – Ahmedabad (NIPER-Ahmedabad) References 1. Patel, D. K. et al. (2012) ‘An overview on antidiabetic medicinal plants having insulin mimetic property’, Asian Pacific Journal of Tropical Biomedicine. Asian Pacific Tropical Biomedical Magazine, 2(4), pp. 320–330. doi: 10.1016/S2221- 1691(12)60032-X. 2. Fonseca, V. A. et al. (2012) ‘The American Diabetes Association diabetes research perspective’, Diabetes, 61(6), pp. 1338–1345. doi: 10.2337/db12-0435. 3.Holz, G. G., Leech, C. A. and Habener, J. F. (2000) ‘Insulinotropic toxins as molecular probes for analysis of glucagonlike peptide-1 receptor-mediated signal transduction in pancreatic β-cells’, Biochimie, 82(9–10), pp. 915–926. doi: 10.1016/S0300-9084(00)01171-8. 4. Newman, D. J. and Cragg, G. M. (2007) ‘Natural products as sources of new drugs over the last 25 years’, Journal of Natural Products, 70(3), pp. 461–477. doi: 10.1021/np068054v. 5. Lau, J. et al. (2015) ‘Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide’, Journal of Medicinal Chemistry, 58(18), pp. 7370–7380. doi: 10.1021/acs.jmedchem.5b00726

97

AP-11

Structural insights into the binding mechanism prediction of triazolothiadiazoles as human deoxycytidine

triphosphate pyrophosphatase 1 inhibitors through molecular modelling studies

Shashank Shekhar Mishra, Chandra Shekhar Sharma

Department of Pharmaceutical Chemistry, Bhupal Nobles’ College of Pharmacy,

Bhupal Nobles’ University, Udaipur-313001, Rajasthan, India

The dCTP pyrophosphatase 1(dCTPase) enzyme modulates the cellularnucleotide pool by the catabolism of noncanonical

and canonical dNTPs. Various research investigations suggest that dCTPase is associated with cancer progression, cancer

cell stemness, association with poor clinical prognosis and decreasedresponse to anticancer nucleoside analogues. The

objective of the present investigation is to elucidate the structural features which are responsible for dCTPase enzyme

inhibition by structure activity relationship study. To design novel, potent inhibitors, we investigate the binding mechanism

through molecular docking, and molecular dynamics simulation. Experimentally validated triazolothiadiazoles based inhibitors

were identified from the literature and 2D and 3D QSAR studies were carried out by VLifeMDS plateform. The robust 2D and

3D QSAR model was selected on the basis of statistical values. The study suggests that the presence of an additional

electronegative atom at the benzene ring increase the inhibition. Docking study reveals that the all inhibitors show excellent

binding with target protein. The dynamics simulation results indicate that the systemwas perfectly equilibrated and acceptable

for small, globular proteins. This investigation provides the lead for the design and development of novel and potent dCTPase

inhibitors. The study also explores the new target in the search of potential anticancer drug.

98

Contributory Papers

Oral Presentation (1-68)

99

OP-1

2019-nCoV

Md. Mobashshir Sulaiman

(B.Sc. Chemistry from Oriental College Patna City, Patna, Patliputra University), e-mail-

[email protected], Whatsapp No.- 6209964887

Dr. Aftab Ahmad Sulaiman (Assistant Professor Engg. Chemistry School of Technology Maulana Azad National Urdu

University(A Central University), Hyderabad Satellite Campus Darbhanga), e-mail- [email protected]

Abstract-

Covid-19 derived from Coronavirus Disease 2019 (COVID-2019). Symptoms - : • Fever • Cough • Shortness of breath.

Exposures: If clinical or exposure history are concerning for COVID-2019: 1) Isolate patient: Provide face mask and use N95

respirator, gowns, gloves and eye protection to assess patient AND 2.Most people infected with the COVID-19 virus will

experience mild to moderate respiratory illness and recover without requiring special treatment. Older people, and those with

underlying medical problems like cardiovascular disease, diabetes, chronic respiratory disease, and cancer are more likely to

develop serious illness. Vaccines: - Further novel vaccines and drugs are expected within a month after going through the

trial period in which few of them are as follows.

Sodium Citrate

Key words;Hydroxychloroquine,sodium citrate,azithromycin,N95.

Reference : Title- A Textbook of Immunology and Immunotechnology, Author- B.Annadurai, Publisher- S. Chand

Publishing, 2008, ISBN- 8121928079, 9788121928076, S. Chand Publishing, 2008, Length- 306 Pages.

100

OP-2

Reviewing the chemistry of interaction of anticancer drugs with Human serum albumin

Anu Radha#*,Ritika Vaishnav1, Nancy Jaswal2, Lalit Sharma3

#Assistant Professor, Division Chemistry- UIS, Chandigarh University, Gharuan, Punjab,

*Research Scholar, I.K. Gujral Punjab Technical University, Jalandhar, Punjab.

3Professor, Shaheed Bhagat Singh State Technical Campus, Firozpur, Punjab.

1,2 M.Sc. Student, Division Chemistry- UIS, Chandigarh University, Gharuan, Punjab

*Corresponding author: Anu Radha, Assistant Professor, Division Chemistry- UIS,

Chandigarh University, E-mail: [email protected]

Abstract

The objective of this review is to study the interaction of plasma proteins with different anticancer drugs. Clinical medicines,

chemistry and life sciences acquire the major interest in this field of study. Plasma protein binding is the unit by which

medicines get attach to blood proteins. Depiction of biological features of protein is usually performed by vital metal ions

binding on drugs through the riconfiguration. Pharmacodynamics and pharmacological effect on drugs determines the drug

protein interaction property of a drug. These factors also determine the manner of action, uses of drug and effect of this on an

organism. A drug should grasp the target site, specifically as well as professionally for the enhanced treatment result. At the

present cancer is the main disease spreading tremendously. Hence forth numerous anticancer drugs have been equipped for

the detection and treatment of cancerous cells. This study deals with the drugs that act as inhibitors for the progression of

timorous cells and also prevents the growth of these cancers in stigating cells.

Keywords:PlasmaProtein, Anticancer drugs,Depiction,Pharmacological,Pharmacodynamics.

SCHEME: Figure showing the interaction of drugs and metal ions with albumin at their particular binding sites

101

OP-3

Synthesis, structural investigations and antimicrobial application of Zn(II) complexes with nitrogen, oxygen donor

macrocyclic Schiff base ligands incorporating nitrogen-containing heterocyclic ring

Arti Vishwkarma, Soumitra K. Sengupta

Department of Chemistry, DDU Gorakhpur University, Gorakhpur-273009, India

Email Id- [email protected]

ABSTRACT

A new series of macrocyclic zinc(II) complexes have been prepared by the template synthesis of Schiff bases derived from 3-

(phenyl/ substituted phenyl)-4-amino-5-hydrazino-1,2,4-triazoles and salicyldehyde/ 2-hydroxy-1-naphthaldehyde with 1,5-

dibromopentane/1,4-dibromobutane in the presence of zinc(II) acetate in equimolar ratio in ethanol. Tentative structures of

the complexes have been proposed with the help of spectral techniques (IR, 1H-NMR and 13C-NMR) and elemental

analyses; while surface morphology and particle size of the complexes has been investigated by SEM and PXRD studies.

The antimicrobial studies were conducted to assess the growth inhibiting potential of the ligands and their corresponding

complexes against different species of pathogenic fungi and bacteria.

Keywords: Zinc(II) complexes, IR, NMR, SEM, PXRD, Antimicrobial.

102

OP-4

Controlled Release of 5-Fluorouracil by a Novel L-Lysine Based Polyesterurethane Material

Synthesized from Epoxide and CO2 via a Novel Dicopper Salen Catalyst

Arunangshu Kundu1; Gobinda Chandra De1, Sushobhan Ghosh

1Department of Chemistry, Cooch Behar PanchananBarma University , Cooch Behar, West Bengal 736101, India.

2Department of Chemistry, ICT,Mumbai, India. Email: [email protected]

Abstract: Controlled release of anticancer drug 5-Fluorouracil by several delivery systems are known including porous

polymeric materials. Herein we report a novel L-lysine based porous polyesterurethane material 1 which acts as a controlled

release vehicle for 5- Fluorouracil. Polyesterurethane material 1 was synthesized from a green isocyanate and phosgene free

synthetic route involving conversion of epoxide 2-(phenoxymethyl)oxirane and CO2 to cyclic carbonate 2 followed by ring

opening with an amino acid LLysine to a bishydroxy compound 3 under green aqueous reaction condition. The bishydroxy

compound 3 was subsequently reacted with 0.66 equivalent of trimesyl chloride in presence of triethyl amine to get the

polyesterurethane material 1. The polyesterurethane material 1 was characterized via NMR, IR and MALDI analysis. From

the SEM image of the polyesterurethane 1 and 5-Fluorouracil encapsulated polyesterurethane 1 it is evident that the material

1 remain with porous topology which is filled by 5 Fluorouracil that is further evidenced by EDX spectroscopy with the

presence of Fluorine. The controlled release of 5-Fluorouracil from the drug encapsulated 1 was monitored via UV visible

spectroscopy at pH 7.4

Key Words: Polyesterurethane, Cyclic Carbonate, Controlled Release, 5-Fluorouracil.

103

OP-5

Phenol Removal in Fixed-Bed Column Using Green Adsorbent Neem Leaves

Ashanendu Mandal

Chemical Engineering Department

University of Calcutta, 92, APC Road, Kolkata-700009, India


Abstract

The research aims to carry out the fixed-bed column study of phenol removal from wastewater by green adsorbent neem

leaves. The adsorbent was characterized by SEM, XRD, FTIR and BET analyzers. The optimum pH was determined by batch

experiments. The column experiments were performed at optimum pH 3 at different bed height (8.5-13.5 cm), flow rate (10-30

ml/min) and phenol concentration (100-300 mg/L). The experiments show that the breakthrough and exhaustion times

increase with the rise of bed height, but decrease with the rise of flow rate and phenol concentration. The adsorption

mechanism involves the interactions between the cellulose, hemicelluloses and lignin materials of the adsorbent and phenol

molecules through n- π, π-π and H-bonding. The kinetic study with the experimental results shows that the Yen et al. model

(r2 = 0.9911, KY = 0.63711 ml/mg.min, qY = 6165 mg/gm) was fitted best. The scale-up design was performed using the best

fitted kinetic model. Desorption of phenol from used adsorbent with ethanol solution (30% v/v) indicates 60.10% regeneration

efficiency. The safe disposal of used adsorbent is possible by incineration. The multiple linear regressions (MLR) and artificial

neural networks (ANN) show that the experimental results can be used with successful predictions.

104

OP-6

Assessment of Exhalation Flux of Radon Gas and Content of Radium in the Soil of Copper Mineralized Area of

Singhbhum, Jharkhand

Asheesh Mishra

Department of Physics, IIT Dhanbad


ABSTRACT

Radionuclides of U decay series exist in trace amounts in all soils and rocks on earth in variable concentrations. Among these

222Rn in its gaseous form is exhaled by the soil of a geological location and is the main contributor to the environmental

radioactivity. A 222Rn exhalation flux study was done in the heavily mineralized region of the Singhbhum Copper Belt (SCB) of

Jharkhand. A substantial seasonal variation in the soil gas exhalation was witnessed which could be attributed to the

seasonal atmospheric factors. The mean 222Rn exhalation flux from the soil was estimated to be in the range of

0.005� �� to 0.020� �� with a mean of 0.010 ± 0.004� �� and GM of 0.010� ��.

Also, 20 soil samples collected from the study area were analyzed by the emanometric method which estimated the 226Ra

content in the soil in the range of 8.60� �� to 62.60� �� and a mean value of 38.67 ± 16.54� ��.

105

OP-7

Effect of Bio-additives as viscosity reducers for Indian waxy crude oil

Biswadeep Pal, Tarun Kumar Naiya*

Department of Petroleum Engineering, Indian Institute of Technology (Indian School of Mines) Dhanbad


In colder region Petroleum Industry experiencing wax deposition problems in reservoirs, wellbore to surface facilities and

transportation in pipelines. Petroleum Industry losses of billion dollars for mitigation the wax deposition and associated

problem in terms of cost of heating and chemicals required for prevention and control, use of scrapper for preventing chock in

pipeline and stop of production etc. A number of methods including addition of pour point depressants and wax crystal

modifier have been used to handle these problems. However, the chemical methods are most effective and economical

methods comparing with other methods but some conventional chemicals like triethanolamine are very expensive, carbon di

sulfide high toxic and flammable which are required special attention before use it as a PPD.

Bio-additives are synthesized from edible oil by simple trans-esterification reaction. After addition of Bio-additives with crude

oil it decreases pour point maximum 8℃ of WCO crude oil at 1200 ppm dosage level.

The rheological properties of crude oil with bio-additives with different concentration were studied in the temperature range of

25°C to 45°C. It was observed from the studies that viscosity of WCO was greatly reduced (>55%) due to addition of 1200

ppm additives at 40°C and flow becomes close to Newtonian. A complete analysis of wax crystals size distribution at

microscopic level was performed. Microscopic studies showed that with the addition of PPD the size of wax crystal size has

reduced significantly and observed modified crystal configuration in a fine dispersed form.

So, based on the results obtained from the pour point depression study and the rheology study that addition of Bio-additives

was clear reduce the pour point of WCO. Reduction of surface tension clearly shown surface film also effects the pour point of

the crude oil. Morphological study clarifies that PPD dispersed the wax crystals which increases its flow characteristic.

Acknowledgement:

Financial support from DST (SERB) [Project No: EEQ/2016/000650] is greatly acknowledged. We would like to express

thanks to ONGC, Ahmadabad Asset, Gujarat, India for their consistent cooperation for collection of crude oil samples from

different oil fields.

106

OP-8

Modulated Microencapsulation of Nanoparticles with functionalized Chitosan based Hydrogel and their targeted

application

Biswajit Jana, Shubhankar Ghorai and Jhuma Ganguly*

Department of Chemistry, Indian Institute of Engineering Science and Technology, Howrah, 711103, India

[email protected],*[email protected].

Microencapsulation increases the stability of tiny particles or droplets by various covalent or non covalent interactions in either

solid, liquid, solution or gel phase. Microencapsulation has been developed effective protection from environmental stimuli,

controlled degradation, increasedlongevity and preserved the inherent activity.Polysaccharides based encapsulation usually

has been oriented with three dimensional networks within micrometers to nanometers size, even at swollen by the solvents.

Chemical inertness and interlocked network retain vast amounts of solvents in Microgels without dissolving. The fabrication of

Chitosan based microgel templates have been investigated with change of cross-linkers and incorporation of nanoparticle in

the above context.The measurement of the effectiveness of encapsulation and structural investigation are performed by

modern instrumental aids. ZnO nanoparticle based chitosan hydrogel has prominent fluorescence efficiency due to the

presence of ZnO nanoparticles.Nanocomposite shows pH-sensitivity in swelling behavior and improved mechanical

properties. Microencapsulated compositehydrogel has great potentiality in removing toxic dyes from aqueous system without

the formation of wastage materials, extended its application as anti-viral agent for biomedical area and also useful in

catalysis.

Figure:SEM image of gel(left), Dye adsorption study with variation of pH (right).

Reference

1. Maity, S.; Ray, S, S.; Chatterjee, A.; Chakraborty, N.; Ganguly, J. ChemistrySelect.2018, 23, 6575.

2. Parshi, N.; Pan, D.; Dhavle, V.; Jana, B.; Maity, S; Ganguly, J. Int. J. Biol. Macromol.2019, 141, 626.3. Maity, S.; Naskar,

N.; Lahiri, S.; Ganguly, J. Environ. Sci.: Water Res. Technol.2019

107

OP-9

The Design of Molecule and Molecular Frame Towards Deliverable Properties

Chittaranjan Sinha

Department of Chemistry, Jadavpur University, Kolkata – 700 032


The design of molecule is an art and habit of a chemist. It is a multidisciplinary diverse subject. The combination of

material properties and synthetic versatility bring materials of diverse properties such as, electronic, magnetic, optical,

structural, mechanical, biological, environmental etc.

Chemistry is the cause of all the functioning of life. About one-third of naturally occurring elements regulate live

process. The small molecules (oxygen, water, amino acids, glucose etc), ions (cations and anions), and macromolecules

(polysaccharides, proteins, fats etc) are imperative in life. Metals in medicines include Pt (Cisplatin), Au (arthritis) etc. CO, NO

are cardiovascular signaling molecules; Na+, K+ regulate nerve impulse; Ca2+, Mg2+ control muscle activity and the structural

element of bone, teeth, shell, clotting of blood; Mg2+ uses in photosynthesis; V5+ uses for plant growth; Cr3+ regulates glucose

metabolism; Mn2+ monitors PS-II and pyruvic acid cycle; Fe2+/3+ are part of Hb, Mb, Cyt-C, Ferritin, Ferredoxin etc.; Co2+ is

used in Vit-B12; Cu+/2+ functions in hemocyanin, ASc-A etc; Ni2+ acts in urease enzyme; Zn2+ is mother of 350

metalloenzymes; Mo is used in Nitrogenase, hydrogenase, nitrate reductase, Xanthine oxidase etc. However, non-

biodegradable nature of the ions makes them very susceptible to the living systems. The imbalance of ion equilibrium in the

cells may disturb electrolytic balance, damage specific organs, interferes the vital enzymatic processes etc. Hence, the

determination of trace/ultra-trace level of ions around the environment of human life is an essential task of modern research.

Biological/medicinal applications of the molecules have been carried out by trial-and-error process. Now high

throughput screening is an effective way to identify chemical entities that target a biological system of interest. Computer-

aided drug design (CADD) is a very useful tool in the structure-optimization for novel drug candidates. Out of million

compounds from libraries the theoretical manipulation identifies the lead molecule which may be synthesized in the laboratory

and their applications may be fruitful. Toxicity of the drugs may be computed to execute the significance of the biologically

active molecules

In this Seminar we will focus some of our research results on the deliberate design for the trace analysis of

biologically important ions (Zn2+, Al3+, Cr3+, Mg2+, Pd2+, F-, HF2-, PO4

3-, AsO33-, H2PO4

-, CN-, ATP) and also design of

molecules functionalizing known drugs and on metal ion binding to serve as more effective drugs.

108

Few publications (to consult)

Spectrochim. Acta Part A, 2020, 225, 117471 (CN-); J. Indian Chem. Soc. 2019, 96 (10), 1279-1285 (Zn2+); ACS omega

2019, 4 (5), 8451-8464 (Al3+, HF2-); Dalton Trans. 2019, 48 (48), 17818-17830 (Cu2+); Sensors and Actuators B: Chemical

2018, 252, 257-267 (Zn2+, Al3+); New J. Chem. 2018, 42 (8), 6236-6246 (PO43-, AsO3

3-); Dalton Trans. 2017, 46 (28), 9245-

9252 (Pd2+); ; Dalton Trans. 2017, 46 (47), 16516-16524 (Cr3+); Polyhedron 2018, 152, 1-10 (Pt-anticancer); J. Biol. Inorg.

Chem. 2018, 22 (6), 833-850 (Cu-sulfonamide); Spectrochim. Acta Part A: 2015, 150, 268-279 (Sulfonamides); Polyhedron

2015, 99, 77-86 (Ni-SMX)

109

OP-10

Structures and photochromic activity of some metal ion complexes of azoimidazoles

Dr.Debashis Mallick*

Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata-700051.


In this presentation, the coordination chemistry of Zn(II), Cd(II), Hg(II), and Pb(II) with 1-alkyl-2-(arylazo)imidazole (RaaiR/)

are described. The ligand acts as unsymmetrical N,N/-chelator and possesses azoimine [–N=N–C=N–] chromophore. 1,3-

Dalkyl-2-(arylazo)imidazolium iodides (RaaiR/2

+)I- are used to synthesise inorganic ionic solids and have been characterised

by structural study. Photochromic property of azoimidazoles and metal derivatives are also explored and their property has

been rationalised by DFT calculation.

110

OP-11

Bio-inspired Aerobic Oxidation of Organic Molecules using Immobilized Nonheme IronComplexes

Dr. Debobrata Sheet

Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073,


Abstract Selective oxygenation of hydrocarbons using dioxygen as oxidant using environmentally non-benign metal ions is a

formidable challenge.[1] A plethora of polypyridyl bound iron(II) complexes have evolved gradually as functional/structural

models of the well-known iron containing nonheme enzymes and are reported to oxy-functionalize several hydrocarbons. DFT

simulations and indirect probes reveals in-situ iron-oxygen intermediate as the active oxidant.[1]In most models oxidation

reactions results in deactivation of the active sites due to ligand oxidation and dimerization of iron-centers, thus limiting

homogeneous complexes to stoichiometric conversions.

Immobilization of these complexes onto a suitable solid support provides stability to the catalyst, facilitates easy separation

and prevents deactivation of active sites that caused dimerization reactions. With this concept the presentation elucidates

immobilization of a series of iron(II)-non heme complexes on solid support such as alkane thiolate gold nanoparticles and

PAMAM dendrimer carbon nanotubes (CNTs) conjugate.[2,3] The immobilized iron(II)-complexes augmented reaction rates

surpassing the homogenous complexes by many ordersand triggered catalytic oxidation products.[2] Interestingly, iron(II)

complex anchored to PAMAM-CNTs modelled both the primary and secondary active sites of enzymes and unlocked new

horizons towards development of artificial enzymes for bio-inspired oxidation reactions [3]

References

1) W. Nam, Acc. Chem. Res, 2015, 48, 2415; W. Nam, Y. M Lee, S. Fukuzumi, Acc. Chem. Res, 2014, 47, 1146.

2) (a) D. Sheet, P. Halder, T. K. Paine, Angew. Chem., Int. Ed. 2013, 52, 13314; D. Sheet, A. Bera, R. D. Jana, T. K.

Paine, Inorg. Chem. 2019, 58, 4828-4841

3) D. Sheet, A. Bera, Y. Fu, A. Desmecht, O. Riant, S. Hermans, Chem.- Eur. J.2019, 25, 9191-9196

111

OP-12

STUDIES ON OPTIMIZATION OF VOLTAMMETRIC CONDITIONS FOR ULTRA TRACE LEVEL DETERMINATION OF OF

URANIUM IN SEA WATERS

Dr. Rajni Bais

Assistant Professor, Department of Chemistry

J. N. V. University, Jodhpur- 342005, India


ABSTRACT

A study on electroreduction of uranium (VI) with thioglycolic acid in acetate buffer has enabled the optimization of

voltammetric conditions for its determination at ultra trace levels. A limit of quantification of 0.005 µg/ml was achieved using

differential pulse polarography (DPP). Major ions such as lead, nickel, vanadium and zinc did not interfere. The method was

successfully applied for the determination of uranium in seawaters. The results have further been validated by AAS method.

Keywords: Uranium, DPP, sea waters.

112

OP-13

Multifunctional MOFs for gas adsorption, Sensor and Catalysis

Sharad Kumar Sachan, Sarita Tripathi, Namita Singh, Renganathan Srirambalaji and Ganapathi Anantharaman*

Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur -208016

[email protected]

Porous materials such as zeolites have made an indispensable impact in the day to day life to commercial applications. The

structural rigidity created by primary [SiO4]4- and [AlO4]3- units and associated with the framework stability are one of the prime

criteria for its vast applications. However, many times the applications based on these materials remain dormant due to the

difficulties related to the structure and functional correlations as well as nuances of the synthetic procedure. Alternatively,

materials made of coordination polymers (CPs) or metal-organic frameworks (MOFs) have gained enormous attention due to

its simplicity in preparation, structural diversity and the applications in gas-adsorption, separation of small molecules,

catalysis, sensing of small molecules to hazardous materials, drug delivery, nonlinear optics, proton conductivity, and other

biomedical related processes. These prominences of MOFs/CPs in the last three decades have stimulated colossal amount

of research interests in the study of frameworks having multifunctional properties. The diversity in applications are mainly

attributed to the robustness of the MOFs against hydro- and thermal stability at various pH medium besides maintaining the

crystallinity and their porosity. In addition the presence of Lewis acidic/basic sites these MOFs were potentially used as

catalysts for various organic transformations.1-3In this talk, the preparations of some mixed metal oxides and CPs/MOFs

derived imidazole based carboxylic acid systems, and metal substrates will be presented. In addition, the properties of these

systems in the areas of gas adsorption, luminescence-based sensing/remediation of hazardous materials and catalysis will be

presented.4

References:

1. (a) Kreno, L. E.; Leong, K.; Farha, O. K.; Allendorf, M.; Van Duyne, R. P.; Hupp, J. T. Chem. Rev., 2012, 112, 1105–1125;

(b) Kitagawa, S.; Kitaura, R.; Noro, S. Angew. Chem., Int. Ed. 2004, 43, 2334-2375.

2. (a) Huang, Y.-B.; Liang, J.; Wang, X.-S.; Cao, R. Chem. Rev., 2017, 46, 126–157; (b) Yaghi, O. M. et al. Chem.Rev., 2012,

112, 673-674. (c) Reinares-Fusac, D.; Aguirre-Díaz, L. M.; Iglesias, M.; Snejko, N.; Gutiérrez-Puebla,E.; Monge, M. Á.;

Gándara, F. J. Am. Chem. Soc. 2016, 138, 9089-9092.

3. (a) Penke. Y. K., Anantharaman, G. Ramkumar, J.; Kar, K. K. J. Hazard. Mater.2019, 354, 519-530. (b) Penke. Y. K.,

Anantharaman, G. Ramkumar, J.; Kar, K. K. ACS appl. Mater. Interfaces.2017, 9, 39441. (c) Penke, Y.K.; Anantharaman, G.;

Ramkumar, J.; Kar, K. K. RSC Adv., 2015, 6, 55608.

4. (a) Tripathi, S.; Anantharaman, G. CrystEngComm, 2015, 17, 2754-2768. (b) Mohapatra, C.; Tripathi, S.; Chandrasekhar,

V.; Anantharaman, G. Cryst. Growth.Des.2014, 14, 3182-3185.

113

OP-14

Solvent-free, mechanochemically scalable synthesis of 2,3-dihydroquinazolin-4(1H)-one using Brønsted acid

catalyst

Gauravi Yashwantrao, Valmik P. Jejurkar, Rajpratap Kshatriya and Satyajit Saha*

Dept. of Dyestuff Technology, Institute of Chemical Technology, Mumbai, Maharashtra-400019

Corresponding author (Satyajit Saha) email: [email protected]

Abstract: Although the synthesis of novel N-heterocyclic molecules is extremely demanding as well as challenging, the

involvement of toxic solvents often triggers environmental safety concerns, resulting in process-engineering challenges.

Herein, we have demonstrated a rapid, environmentally benign and energy efficient scalable method for the synthesis of 2,3-

dihydroquinazolin-4(1H)-one by grinding in a mortar pestle as well as mechanochemically via ball milling using p-TSA

catalyst. The ability to accomplish the reaction in the absence of solvent via grinding or milling with p-TSA catalyst, with an

immediate reduction in the cost and operational procedures, features the significant advantages of this protocol. The

scalability and significance of the operational parameters during mechanochemical milling in the tubular ball mill were also

demonstrated. Excellent yield in short duration, large substrate scope, product scalability, and easy recoverability are the

prime features of this mechanochemical solvent-free protocol for the synthesis of 2,3-dihydroquinazolin-4(1H)-one. The study

also demonstrated the significant role of ball diameter to improve the efficiency of the milling operation in this

mechanochemical synthesis.

Keywords: Ball milling, Mechanochemical synthesis, heterocycles, solvent free reaction

Reference:

G. Yashwantrao, V. P. Jejurkar, R. Kshatriya and S. Saha* ACS Sus. Chem. Eng. 2019, 7, 13551−13558.

114

OP-15

A Study on the Status of Antioxidant Vitamins (Vitamin-A and Vitamin-E) in Urolithiasis Patients

T.V.R.K.Rao*and Gunja Kumari

Department of Chemistry, Purnea College, Bihar

Abstract

Aetiology of urinary stone disease is a function of multiple factors. Besides physicochemical aspects of crystal aggregation

and stone formation, studies on the role of oxidative stress in urolithiasis are also getting attention in recent years. The

objective of the present study is to trace the status of antioxidant vitamins viz., vitamin-A and vitamin-E, in urinary stone

disease. Twenty five urolithiasis patients, 20 male and 5 females in the age group of 20 to 55 years, were selected for study.

Twenty normal healthy persons, 14 male and 6 females in the age group of 20 to 55 years were also selected for study as

controls. Serum retinol, and serum α-tocopherol levels of subjects and controls were estimated. Results revealed that the

levels of vitamin-A and vitamin-E in the stone patients were significantly lower (p < 0.03 for vitamin-A & p < 0.006 for

vitamin-E) than that of the normal healthy persons. As such, urinary stone disease seems to be associated with a low

antioxidant vitamins’ status. This might be due to their (vitamins’) increased utilisation to fight the oxidative stress created by

the injury of renal tubular cells, which might have been induced by the crystals of stone.

115

OP-16

Surface mounted metal organic frameworks on layered double hydroxide sheets

Anindita Chakraborty and Himadri Acharya*

Centre for Soft Matters, Department of Chemistry, Assam University, Silchar-788011, Assam, India


Porous metal organic frameworks (MOFs), a typical organic-inorganic material composed of metal ions and multi-

topic organic ligands has been studied as one of the promising material owing to their fascinating structures and potential

applications. Presently, research on growth or deposition of MOFs films on functionalized substrates is of great interest for

various adsorption, separation, storage and sensor applications. Herein, surface mounted metal organic frameworks named

SURMOF of MOF-5 and Cu-BDC MOF on Zn-Al, Mg-Al and Co-Al layered double hydroxides (LDH) sheets is demonstrated.

SURMOF on layered double hydroxides sheets were prepared strategically where, intercalated terephthalate ligands within

LDH gallery coordinated with the metal ions for in-situ growth of MOFs. The structures and morphology of the SURMOF were

investigatedusing scanning electron microscope (SEM), transmission electron microscopy (TEM) combined with selected

area electron diffraction (SAED) images, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and thermo

gravimetric analyses (TGA).The resulting SURMOF materials offer an excellent dye removalproperty.

1. Z.-G. Gu, J. Zhang, Coord. Chem. Rev., 2019, 378, 513.

2. R. Soltani, A.Marjania, S. Shirazian, Dalton Trans., 2020, 49, 5323.

3. A Chakraborty, H Acharya, Colloid and Interface Science Commun.,2018, 24, 35.

4. A Chakraborty, DA Islam, H Acharya, Materials Research Bulletin, 2019, 120, 110592.

116

OP-17

Inhibition of non-enzymatic glycation by gymnemic acid as possibleantiviral agent of SARS-CoV-2

Koushik Chandra*

Assistant Professor, Department of Chemistry, Midnapore College (Autonomous), Midnapore, Paschim

Midnapore, West Bengal, India-721102, Email: [email protected]

Abstract

Diabetic mellitus (DM) entails medical attention with growing incidence worldwide.Poor glycemic control in diabetes is a

concomitant threat to diabetic complications with the advent of a cohort of toxic, heterogenous and crosslink advanced

glycation end products (AGEs). Evidences show that diabetic patients with AGEs are susceptible to viral infection that impairs

immune response. The situation turns even more frightening for AGE induced diabetes in wake of recent pandemic of SARS-

COV-2 across the globe. The discovery of prophylactics, drugs or even vaccine are currently under intense investigation.

Recent studies also imparts on the discovery of indigenous naturally occurring phytochemicals as a promising target for drug

design. Our study bestows on gymnemic acid, a well-known antidiabetic phytochemicals, for probable drug target of SARS-

CoV-2 main protease that is responsible for primary infection. Spectroscopic analyses demonstrate gymnemic acid as useful

pharmacophore that has shown effective inhibition against the formation of AGEs invitro. Molecular electrostatic potential

(MEPS) indicates a certain portion of surface reactivity of gymnemic acid which is found to be effective against SARS-CoV-2

main protease from molecular docking studies. The experimental observations aptly correlate withcomputational results

signifying the ability of gymnemic acid to function as likelihood antiviral agent in view of recent global pandemic caused by

SARS-COV-2.

Key words: advanced glycation, diabetes, gymnemic acid, inhibitor, SARS-CoV-2

References

1. Polonsky, K. S. N Engl J Med., 2012, 367, 1332–1340.

2. Brownlee, M. Nature, 2001, 414, 813-820.

3. Thornalley, P.J., Battah, S., Ahmed, N et al. Biochem. J. 2003. 375, 581–592.

4. Lu, H. Biosci. Trends.,2020, 14 (1), 69–71.

5. Erener, S. Mol. Metab., 2020, (doi: 10.1016/j.molmet.2020.101044).

6. Shanmugasundaram, K. R., Panneerselvam, C., Samudram, P., Shanmugasundaram, E. R. J.

Ethnopharmacol.,1983, 7, 205-234.

117

OP-18

Metal-free Aryl-Aryl Cross Coupling: C–H Arylation of 2-Naphthols with Diaryliodonium Salts

Manoj Kumar Ghosha*

aCentre of New Technologies, University of Warsaw, Banacha 2C, 02-097 Warsaw, Poland

*Department of Chemistry, Banaras Hindu University ,Varanasi, Uttar Pradesh, 221005

[email protected]

Metal-free regioselecitve C–H arylation of 2-naphthols with diaryliodonium salts has been developed. The reaction proceeds

under very simple experimental conditions and affords a range of products with various substitution patterns. The method

allows for the incorporation of electron-deficient aryls, which complements well currently existing metal-free aryl-aryl cross-

couplings of phenols that have been so far restricted to the introduction of electron-rich aryl moieties. The mechanism of the

reaction was studied by means of DFT calculations, demonstrating that the C–C bond-formation occurs via a dearomatization

of 2-naphthol substrate, followed by a subsequent rearomatization by tautomerization.

Reference-

Manoj K. Ghosh, J. Rzymkowski, and M. Kalek,Chem. Eur. J.,2019, 25, 9619-9623.

* Present Affiliation (National Postdoctoral Fellow)

118

OP-19

SPECTRAL AND BIOLOGICAL STUDIES ON CO(II), Ni(II) ANDCu(II) COMPLEXES WITH A CHELATING BIDENTATE

DIAZA SCHIFF BASE LIGAND DERIVED FROM PYRIDIN-2 AL AND PARA TOLUIDINE

NARESH KUMAR*, SHIKHA KUMARI & PAWAN KUMAR

*UNIVERSITY DEPT. OF CHEMISTRY, B. N. MANDAL UNIVERSITY, MADHEPURA, Email:[email protected]

ABSTRACT

A Series of square planner complexes of CO(II), Ni(II) & Cu(II) of the type [M(PTSB)] X2 have been obtained X=Cl-, Br- and

NO3 - in the present case. PTSB is a Schiff base ligand derived from pyridine-2-carbaldehyde & para toluidine in equimolar

proportion. The ligand has been synthesized by two different routes, traditional method and green method the later giving

higher yield in lower reaction time. Metal complexes have also been synthesized by traditional method and modern metal ion

catalyzes template method. Characterization of the ligand as well as metal complexes has been done on the basis of

elemental analysis conductivity &magnetic susceptibility measurements. Bonding mode has been decided by I.R. spectra.

Square planner stereo chemistry has been proposed on the basis of electronic spectra and magnetic moment data showing

low magnetic moment for the complexes. The ligand has been found to at in a bidentate chelating mode using both the

azomethinic nitrogen and pyridyl nitrogen for coordination. Biological screenings of the ligand and complexes have been

probed agains bacteria & fungii. Complexes have been found to superior biochemical activity than the ligand. The structure

proposed for the complexes are square planner as shown below

119

OP-20

Green Synthesis of Iron Nanoparticles and Their Application as Catalyst in Degradation of Organic dye

Nimish Kumar*, Vijay Devra

J.D.B.Govt.Girls College, Kota (Raj.)

[email protected], [email protected]

Recent advances in Nano science and nanotechnology is presently one of the most dynamic discipline of research in material

science whereby plants and plant products are finding imperative application in the synthesis of nanoparticles. The aim is to

minimize the negative impacts of synthetic procedures, their accompanying chemicals and derivative compounds This study

provides reports of green synthesized zero valent iron nanoparticles (FeNPs) and highlights their substantial applications in

environmental pollution control.. The unique properties of nanoparticles may increase catalytic activity and lead to significant

enhancement of process performance by reducing reaction time.

The present study reports stable dispersed zero valent iron nanoparticles (FeNPs) were prepared by the biosynthesis process

using extract of A. Indica as reducing and stabilizing agent. The study reports the maximum absorption peak of UV Visible

spectra observed at 250 nm wavelength and FTIR peak at 3000cm-1 confirms the formation of zero-valent iron nanoparticles.

The synthesized nanoparticles were applied as a catalyst in the degradation of azo dye in presence of peroxomonosulphate

(PMS). The degradation rate was found to follow first-order kinetics with respect to PMS. The biosynthesized FeNPs is

expected to be a suitable substitute and play a significant role in the field of catalysts and environmental revolution.

Key words: Green nanotechnology, Iron nanoparticles, Catalyst, Environmental pollution

120

OP-21

PREPARATION AND CHARACTERIZATION OF ACTIVATED CARBON FROM SHREDDED LEAVES THROUGH

CARBONIZATION ACTIVATION PROCESS

Niraj S. Topare1*, Shantini A. Bokil2

1*School of Chemical Engineering, Dr. Vishwanath Karad MIT World Peace University, Pune-411 038, India

2School of Civil Engineering, Dr. Vishwanath Karad MIT World Peace University, Pune-411 038, India

*Corresponding Author Email:[email protected],[email protected]

ABSTRACT

In this study, an attempt was made to establish Green Energy from agricultural waste (shredded leaves). Activated carbon

(AC) produced from shredded leaves (SLAC) with chemical activation agent i.e. phosphoric acid (H3PO4) by the carbonization

activation process. The influences of the process, carbonization temperature, and activation temperature (600 °C) for time 2

hours with H3PO4 of 1:1 ratio on the resulting activated carbon properties were evaluated. The AC is an excellent adsorbent

and its applications are widely described in the literature. Prepared SLAC is characterized by standard methods XRD, SEM,

FTIR, and XRF. XRD analysis is used to study the presence of a highly organized crystalline structure for AC. The surface

chemical characteristics of activated carbons were determined by the FT-IR method. The microstructure of the produced

activated carbons was examined by scanning electron microscopy (SEM). XRF is used to study the different concentrations

of inorganic elements present in the produced AC. The result also shows the presence of seven elements with their

concentration. Thus present study adds one more bio-waste source as useful raw material for the preparation of AC.

Key Words: Activated carbon, Shredded leaves, Phosphoric acid, XRD, FTIR, SEM, XRF

121

OP-22

On binding of plant-derived indole alkaloid with HT and CT DNA via spectroscopic tools

Nungshioba Jamir, Jhimli Bhattacharyya*

Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur, Nagaland – 797 103, Email:


ABSTRACT

DNA-ligand interaction studies lead to understanding of fundamental basis of binding pattern correlating with structural

aspects. Among various ligands, indole alkaloid based drugs, extracted from the medicinal plants are of special interest as

they have vast pharmaceutical applications towards hypertension, diabetes, cancer, gastritis, cough-cold, asthma, flu,

malaria, jaundice etc diseases. Generally traditional medicines from plant origin are quite popular but scientific background of

their effectiveness and their mechanism of action are still under investigation. Biophysical studies of Camptothecin with

natural polymeric DNAs (CT & HT) and investigate the binding isotherm is reported here followed by complete energetic

profile. Camptothecin is an important indole alkaloid isolated from the native Chinese stem wood, Camptotheca acuminate. It

selectively inhibits the nuclear enzyme DNA topoisomerase, type-I and demonstrates antitumor activity. Various

spectroscopic techniques like, UV-Vis, fluorescence, infra-red (IR), confirmed successful binding between the drug and

DNAs. Thermal melting studies showed destabilization of both the DNAs upon ligation. CT DNA showed more binding affinity

as compared to that of HT. Binding constants were calculated by Scatchard plot analyses at different pH, temperature and

salt concentration conditions. This work may have multifaceted application for understanding the indole alkaloid based drug

action and development of rational therapeutic agents from natural resources.

Keywords: Camptothecin, natural polymeric DNAs, Biophysical interaction study, Binding affinity.

Acknowledgement: This work is financially assisted by NER-Twinning Project Scheme, DBT, Govt. of India. Authors

acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and Integrative Biology, New Delhi

(collaborator of the twinning research scheme mentioned above).

122

OP-23

Supramolecular Synthon based Electrocatalytic H2 production

Partha Pratim Bag*

Department of Chemistry, SRM University Sikkim, Sikkim- 737102, India.


Global initiatives for developing new renewable energy systems, H2 might be future fuel. Electrochemical water splitting is a

promising route to the production of a hydrogen (H2) fuel. Platinum (Pt) is the most effective catalyst to facilitate the hydrogen

evolution reaction (HER) in electrochemical water splitting, but the scarcity and high cost of Pt limit widespread applications of

Pt-based electrocatalysts.1 Ruthenium oxide (RuO2) is one of the best catalysts for the oxygen evolution reaction (OER)2 but

HER performance is very good.3 Here we demonstrate that hydrous RuO2 nanoparticles can be dispersed on M-CA co-

crystal, used as highly efficient electrocatalysts for the HER. In this work, RuO2@M-CA nanoparticles were synthesized

simply by heating an aqueous solution of RuCl3·xH2O. These hydrous RuO2@M-CA nanoparticles exhibited substantially

enhanced HER.

References

1. R. Subbaraman, D. Tripkovic, K.-C. Chang, D. Strmcnik, A.P. Paulikas, P. Hirunsit, M. Chan, J. Greeley, V. Stamenkovic,

N. M. Markovic, Nat. Mater., 2012, 11, 550. (b) E. J. Popczun, J. R. McKone, C. G. Read, A.J. Biacchi, A.M. Wiltrout, N. S.

Lewis, R. E. Schaak, J. Am. Chem. Soc., 2013, 135, 9267. (c) H. Yin, S. Zhao, K. Zhao, A. Muqsit, H. Tang, L. Chang, H.

Zhao, Y. Gao, Z. Tang, Nat. Commun., 2015, 6, 6430.

2. E. A. Paoli, F. Masini, R. Frydendal, D. Deiana, C. Schlaup, M. Malizia, T. W. Hansen, S. Horch, I. E. L. Stephens, I.

Chorkendorff, Chem. Sci., 2015, 6, 190.

3. T. Audichon, T. W. Napporn, C. Canaff, C. Morais, C. Comminges, K. B. Kokoh, J. Phys. Chem. C, 2016, 120, 2562.

123

OP-24

A Short Review on 5H-chromeno[4,3-b]pyridin-5-one & 6H-chromeno[4,3-b]quinolin-6-one Derivatives as Anti-Cancer

Agents

Prasanta Patra*

Assistant Professor (W.B.E.S.)

Department of Chemistry, Jhargram Raj College, Jhargram 721507 ,WB, India

*Corresponding author’s e. mail:[email protected]

Many naturally-occurring coumarin compounds shows significant biological activities.1 6H-chromeno[4,3-b]quinolin-6-one are

very important due to their versatile antitumor as well as anti-cancer activity. These properties have motivated a number of

synthetic efforts by several groups.2 The present review aims to review a vast body of literature on different synthetic

methodology, bioactivity mainly anti-cancer activity and fluorescence property of 6H-chromeno[4,3-b]quinolin-6-one

derivatives as published during the period from 1987 up to 2020. The synthesised compounds have been reported in

literature by construction of pyridine using different name reaction.

O

O

CHO

X

O

O

N

O

O

OH

NCAr

MeOH, rt

O

O

NH

Ar

NO2Ar

CHO

Fe, AcOH,

50 oC

NH2Ar

OH

AcOH, 120 oC

NHNH2HCl

Ar

DMSO, 130 oC

NH2

Ar

NH2Ar

MeOH, Ultrasoundirradiation

.

R

O

O

OHR

CHO + +

X=Cl, Br

O

NH4OAc

Reference

1. Borges, F.; Roleira, F.; Milhazes, N.; Santana, L.; Uriarte, E. Curr. Med. Chem.2005,12, 887.

2. Patra,P. ChemistrySelect2019, 4, 2024.

124

OP-25

Nanostructure Photocatalyst Material for Degradation of Environmental Pollutants

Dr. Supriya Kumari

Assistant Professor, Department of Chemistry, Jawahar Lal Nehru College, Dehri-On-Sone (Rohtas)

V.K.S.University, Ara

Email-Id : [email protected]

Abstract:

Rapid population growth andincreased demand for resourceshave led to a large increase of demand for energy and pure

water supply around the world. Water pollution causes ecological and environmental problems. A new source of sustainable

energy is required for our future due to the limited availability of sources, deterioration of environment, non-replenishable

nature and climate change. Solar energy is mostly used in the research to fulfill the ever- increasing demand of energy

because this open lots of scope in wastewater treatment, hydrogen production, and driving artificial photosynthesis. Different

type of semiconductor Photocatalyst is the major category of materials which are chosen due to its electronic structure

intrinsic nature and suitable band gap. Photocatalysis based on nano-catalysts is a very cost effective and prominent method

for the wastewater treatment where an electron-hole pair is generated on exposing semiconducting materials to light of

appropriate energy. A promising and novel approach for the degradation of organic pollutants in the presence of visible light

have been used in the present study.

KeyWords: Sustainable energy, Photocatalysis, Wastewater treatment

125

OP-26

Photolytic Degradation of Organic pollutants in Natural Water: Effect of Titanium Dioxide

Priyanka Gupta1, Manoj Kumar Ghosh2, Supriya Biswas3

Department of Applied Chemistry, Shri Shankaracharya Technical Campus, Junwani, Bhilai, C.G.

Associate Professor, Kalinga University, Naya Raipur, C.G., Professor, Shri Shankaracharya, Technical Campus, Junwani,

Bhilai, C.G. , Email: [email protected]

Abstract

Insecticides and natural waste represent a collection of environmental pollutants which may be widely allotted in our

surroundings due to various human activities. Removal by adsorption and photolytic degradation of these pollutants from

water are cost effective methods. But oxidation technologies are gaining interest as an effective approach for wastewater

treatment capable of degrading a diverse spectrum of organic contaminants. Photocatalysis is a promising advanced

oxidation generation to relieve water pollutants troubles. Titanium dioxide (TiO2) is the most popular photocatalyst due to its

low price, nontoxicity, excessive oxidizing skills, and clean immobilization on various surfaces. The present-day assessment

targets to focus on recent advancements in photocatalytic degradation of insecticides and main organic pollution the usage of

TiO2-based photocatalysts.Indeed, most of the strategies, which hired robust catalysts, confirmed and exhibited successful

degradation of the pesticides beneath various situations. We agree with this topic of research is extremely crucial and could

keep growing in current years, achieving final suitable outcomes and locate extra applications in special fields of take a look

at.

Keywords: Photocatalysis; Pesticides; Solar energy; Mineralization; Water treatment; Titanium dioxide

126

OP-27

A novel dinuclear Copper (II) complex with 18-member macrocyclic Schiff base ligand showing anti-ferromagnetic

interaction

PRIYANKA

Department of Chemistry, L.S College, (BRA Bihar University), Muzaffarpur-842001

Email: - [email protected],

ABSTRACT

A novel dinuclear copper (II) complex showing anti ferromagnetic interaction between two copper centers has been obtained

by condensation between 2, 6-dfp & benzidine in presence of cupric acetate in ethanolic medium. The outcome is significant

in the light of failure of [2 + 2] condensation between diacetylpyridine (dap) or diformylpyridine (dfp) with o-phda

(orthophenylenediamine) to form 18- member macrocyclic compounds on 3d-element matrices. The above condensation is

successful if carried out in presence of big cations such as Ba (II) producing mononuclear 18-member macrocycle. 18 -

Member macrocyclic cavity seems to be big for small cations such as Cu (II). On the other hand it appears to b too small to

accommodate dinuclear copper. The present macrocyclic compound has 22-macrocyclic cavity having six nitrogen donors,

two pyridyl nitrogen and four azomethinic nitrogens arising out of Schiff base condensation. All the nitrogen donors participate

in coordination. The octa- coordinated dimer is proposed to have prismatic structures on the basis of elemental analysis,

conductivity data, magnetic moment and spectral studies such as infrared, electronic and pmr. Pi- electron delocalisation and

encapsulation effect seem to play significant roles towards stability of the complex.

Keywords: Schiff-base macrocycle, anti ferromagnetic interaction, spectral study.

127

OP-28

Controlling Stereoselectivity in Tribromide Mediated Oxidative Dearomatisations – Synthesis of Selective

Spirofurano-naphthalones

Puspendu Kuila,[a] Devashish Sood,[b] Debayan Sarkar*[c]

Author Address:

Organic Synthesis and Molecular Engineering Laboratory, Department of Chemistry, National Institute of Technology,

Rourkela, Odisha, India-769008.

[c]Email: [email protected]

[a]Email: [email protected] ,

Abstract:A series of ammonium tribromides were screened for exploring the role of ammonium counterpart attached to

tribromides on generation of stereoselective spiro-furans via oxidative dearomatisation of naphthols. The proposition

enlightens a suitable combination of the ammonium tribromide and solvent employed, deliver the best achieved

diastereoselectivities. This in turn, has also envisioned the mechanistic aspects related to these category of reactions.

Furthermore, an efficient enantioselective synthesis of substituted spiro-furans has been realized using asymmetric tribromide

reagent (AT-1) which was first introduced by our group. The mentioned dearomative spiro-furano naphthalones has also been

successfully achieved on a large-scale.

Scheme:Synthesis of spiro-furano naphthalone

Reference:

1. Sarkar, D*; Kuila, P.; Sood, D Eur. J. Org. Chem.2019, 5894-5904.

Acknowledgements:

We sincerely acknowledge the Department of Science and Technology (DST), Government of India (Grant No.

EEQ/2016/000518), INSPIRE-DST, Government of India (Grant 04/2013/000751) and NIT Rourkela.

128

OP-29

Effect of Surface Charge of Silver Nanoparticles on Aggregation and Catalysis

Rupasree Choudhuryand Tarun Kumar Misra*

Department of Chemistry, National Institute of Technology Agartala, Agartala, Tripura799046, India


Metal nanoparticles (MNPs) while applying in biological systems come in contact and interact with bio-macromolecules in

biological fluids. Interactions mainly depend on surface adsorbed capping agents. The fact is also true for catalytic

applications of MNPs. Gluconate anions (Gluc-) and N-(1-naphthly)ethylenediammonium cations (NEDA2+) capped Ag-NPs

(Gluc-Ag-NPs and NEDA-Ag-NPs) were employed to study interactions with macrocyclic polyammonium cations (MCPACs),

reputed anion recognizers and as to mimic biopolyamines. The studies were done on UV-vis spectroscopy and Transmission

Electron Microscope (TEM). Surface adsorbed Gluc- ions being anionic in nature interact with MCPACs kinetically whereas

positively charged NEDA2+ ions do not show any such interactions. The associated complexes, Gluc-…MCPACs for

Me6[14]ane-(NH2+)4 (Tet-A/Tet-B) and [32]ane-(NH2

+)8 (32-MCPAC) are existed with the particles upto certain concentration of

MCPACs, termed as critical coagulation concentration (CCC). The CCC value of 32-MCPAC (0.021µM) is quite less than Tet-

A (21.06µM) and Tet-B (20.90µM); whereas Kasso of Gluc---32-MCPAC (1.38x107 M-1)is much greater than Gluc---Tet-A/Tet-B

(~4.5x104 M-1) complex. Again surface charge plays an important roleto explore their employability as potential catalyst.

Reduction of 4-NP (anionic in presence of BH4-) to 4-AP using anionic Gluc-Ag-NPs as a potential catalyst occurs more

effectively and rapidly whereas cationic NEDA-Ag-NPs could not be used catalyst.

Ref.[1] R. Choudhury, T.K. Misra, (2018), Colloids Surfaces A,V. 545 pp. 179-187.

[2] R. Choudhury, A. Purkayastha, D. Debnath, T.K. Misra, (2017), J. Molecular Liq.V. 238 pp. 96-105.

Acknowledgement: Authors are grateful to DST, Nano-mission, Govt. of India, for financial support (grant no. SR/NM/NS-

1176/2012(G)&(C)) and NIT Agartala.

129

OP-30

Organic acids as an accelerator for electroless plating of copper methane sulphonate bath

S. Rekhaa*, KN Srinivasanb, S. Jothilakshmic

a - RMD Engineering College, Kavaraipettai, Chennai

b- Central Electrochemical Institute(CECRI), Karaikudi

c - RMK college of engineering and technology, Chennai

* [email protected]

Abstract:The rate of deposition of a electroless plating process is slow process due to the addition of stabilizers to improve

the stability of bath and prevent it from decomposition. Hence to improve the rate of plating process accelerators are added

without compromising the stability of bath. Electroless plating of copper on metal surface was investigated with organic acids

with mono basic acid like acetic acid and glycolic acid, dibasic acid like oxalic acid and succinic acid and tribasic acid like

citric acid as accelerators in presence of a stabilizer thiourea. The investigation is carried out utilising gravimetric studies,

cyclic voltammetric studies and surface analysis by X-ray diffraction method (XRD), scanning electron microscope (SEM).

The investigation shows that organic acids can be used as an additive to improve the rate of plating in the presence of

stabilizers without compromising the stability in the presence of stabilizers without affecting the stability of bath and quality of

deposits.

Table 4.16 Crystallite size of copper deposit with 1ppm of accelerators with formaldehyde as reducing agent

S. No Accelerators I (Intensity) Crystallite size

(nm)

1 Plain bath 3288 133.9

2 Acetic acid 1993 83.7

3 Oxalic acid 1333 149.0

4 Citric acid 3449 133.9

5 Succinic acid 1397 111.5

6 Glycolic acid 1053 95.6

130

OP-31

Adsorptive Removal of Methylene Blue from Aqueous Solution by Chitosan-nSiO2 Nanocomposite-Isotherm, Kinetic

and Thermodynamic Study

Samanwita Bhattacharyaa, Baisali Rajbansi and Sudip Kumar Dasb

Chemical Engineering Department, University of Calcutta,

92, APC Road, Kolkata-700009, India.

e-mail: [email protected], [email protected]

Nowadays water pollution becomes a very significant environmental issue. Heavy metals and organic dyes present in water in

higher concentration beyond the permissible limit are dangerous to aquatic life as well as to mankind. Adsorption is a popular

process for the elimination of heavy metals and dyes from waste water by solid adsorbents. In third world countries,

adsorption is ideal as it is economically most favorable. The adsorption capacities of synthetic adsorbents are greater than

that of the agricultural and industrial wastes.

Researchers have comprehensively studied the structure, properties and applications of biopolymers like chitosan. Chitosan

in its native form and chemically modified chitosan have been used to remove heavy metals as well as organic dyes from

waste water. Chitosan nanocomposites have very promising role in the field of adsorption of heavy metals and dyes due to

increased chemical stability and adsorption capacity of the adsorbents. Silica based materials can be applied for the

adsorption of various pollutants.

The present study deals with the preparation and characterization of chitosan-nSiO2 nanocomposites. Different adsorbent

samples were prepared with different weight ratio of chitosan to nSiO2. The adsorption capacity of the prepared adsorbents

towards methylene blue dye in aqueous solution was also investigated. The adsorption experiment was conducted in batch

mode under varying experimental condition such as different pH values, initial metal ion concentration, adsorbent dosage,

temperature and contact time. Various isotherm and kinetic models are tested with the experimental data and thermodynamic

conditions required for adsorption are also calculated.

Keywords: Adsorption; Chitosan; nSiO2; Nanocomposites; Methylene Blue.

131

OP-32

Exploring the efficacy of naturally occurring biflavones towards the inhibition of the SARS-CoV-2 spike glycoprotein

mediated membrane fusion

Samiran Mondal

Department of Chemistry, Rammohan College, 102/1-Raja Rammohan Sarani, Kolkata-700009, West Bengal, India.

E-mail address: [email protected]

ABSTRACT

By the end of 2019, scientists came to know about a novel Severe Acute Respiratory Syndrome-Corona virus-2, [SARS-CoV-

2] and associated disease, COVID-19 (Corona Virus Disease-19), which initially affected people of Wuhan city of China. As

on 22nd July 2020,there have been 14765256 confirmed cases of COVID-19 and 612054 deaths worldwide. This virus

became the root cause of deaths and untold sufferings of millions of people around the globe due to the unavailability of

specific medicine/vaccine or therapeutic strategy. Molecular docking studies revealed that the inhibitory effect of two naturally

occurring biflavone based anti-HIV agents, Biflavone-1 and Biflavone-2 against the SARS-CoV-2 spike (S) protein-mediated

attack of the human ACE2 receptors via membrane fusion mechanism. The binding affinities of these naturally occurring

biflavones for the RBD-S2 subunit protein of SARS-CoV-2 were explored for the first time. The biflavones, are able to interact

more strongly with the residues of Heptad repeat 1 (HR1) and 2 (HR2) regions of S2 protein of SARS-CoV-2 and can

effectively block the formation of a six-helix bundle core fusion structure (6-HB) leading to the inhibition of virus-target cell-

membrane fusion. With the help of molecular simulations and in vivo/clinical studies, these bioflavones may be further

explored to develop potential fusion inhibitor-based therapeutics and prophylactics to combat COVID-19.

132

OP-33

Photovoltaic materials: Present status and future challenges

Sanjay Tiwari and B.Gopal Krishna

Photonics Research Laboratory, S.O.S. in Electronics & Photonics,

Pt.Ravishankar Shukla University, Raipur (C.G.)

[email protected]

Abstract

Photovoltaics, which directly convert solar energy into electricity, offer a practical and sustainable solution to the challenge of

bridging the global demand and supply gap in energy. While solar energy production

has the potential to end the power woes of a country, the added advantage is that it also creates a plethora of new job

opportunities for its citizens. The global photovoltaic market is expected to exceed $140 billion by 2020 In terms of

application in power plants, military applications, and other utility applications such as space & defence, industrial projects,

residential rooftops, commercial buildings and so on. Recently significant progress in photovoltaic materials has been made

which has resulted in improvement of performance and development of high efficiency solar cells. The efficiency is an

important parameter as it allows the device to be assessed economically in comparison to other energy conversion devices.

The optical properties of solar material are tuned to the radiation that prevails in our ambience and they can absorb, reflect,

transmit or emit radiation in the wavelength ranges for thermal, solar and visible radiation. Photovoltaic energy conversion

consists of two essential steps: first absorption of light which results in creation of electron hole pairs and then separation and

collection of carriers at respective electrodes. The efficiency of solar cell is its ability to convert fraction of incident light to

electrical energy. This conversion efficiency for given solar spectrum depends on the semiconductor material properties and

device architecture. The efficient cells made from photovoltaic material geometries and illuminated under the standard AM1.5

solar spectrum are compared in this review to the fundamental limits based on Shockley-Queisser (S-Q) detailed-balance

model which helps in identifying the key limiting factors, related to efficient light management and charge carrier collection, for

photovoltaic materials. Most solar cells are silicon based as silicon based semiconductor fabrication is now a mature

technology that enables cost effective devices to be manufactured. Today silicon photovoltaic market is dominated by

monocrystalline form but polycrystalline and amorphous types which are a result of engineering of silicon material where

lattice perfection is sacrificed to achieve significant reduction in the costs of solar cell technology are becoming popular. A

very promising R&D area is thin-film crystalline silicon (about 5–30 µm active layer thickness) which would avoid the crystal

growing and sawing processes.

The present paper reviews the past, some current initiatives and critical issues on the efficiency improvement of solar cells

from the material sciences perspective for terrestrial applications. After introduction of the photovoltaic effect theoretical

requirements for the optimal performance of materials for pn-junction solar cells, different generation based on photovoltaic

material used & structure used are discussed. It covers First Generation PV comprising of Single crystal silicon wafers (c-Si)

,Second Generation which covers Amorphous silicon (a-Si) Polycrystalline silicon (poly-Si), and strong contenders Cadmium

telluride (CdTe) ,Copper indium gallium diselenide (CIGS) alloy .The interest has expanded from CuInSe2, to CuGaSe2,

133

CuInS2 and their multinary alloys Cu(In,Ga)(S,Se)2.,Third Generation covers Nanocrystal solar cells , Photoelectrochemical

(PEC) cells , Gräetzel cells , Polymer & Organic solar cells ,Dye sensitized solar cell (DSSC) and in Fourth Generation,

Hybrid - inorganic nanocrystals within a polymer matrix are discussed. Theoretical materials that have not yet been realized

are Auger generation material and intermediate metallic band material. Finally Organic–inorganic lead halide based

perovskites solar cells which are by far the highest efficiency solution-processed solar cells are described.

Typical silicon based solar cell efficiencies ranged from 18% for polycrystalline to 25-26% in high efficiency single crystal

devices that have special architecture for near-complete light trapping and carrier collection and are mostly limited by

remaining carrier recombination losses. Organic solar cells have provided a unique opportunity and gained extensive

attention as a next generation photovoltaic technology due to their light weight, mechanical flexibility and solution based cost

effective processing. Recently organic solar cell efficiencies above 10% have been reached. In contrast, thin-film single-

crystalline GaAs cells (28.8%) show only minimal recombination losses but can be improved by better light management.

Polycrystalline CdTe thin-film cells (21.5%) offer excellent light absorption but have relatively high recombination losses;

perovskite cells (21.0%) and Cu(In,Ga)(Se,S)2 (CIGS) cells (21.7%) have poorer light management, although CIGS displays

higher electrical quality.

However, there are many challenges both in R&D and in commercialization. The Photovoltaic community is working on new

materials, device designs, and process tools, while there is a rapid growth in commercial equipment for improved processing

and higher throughput. The low-efficiency thin film flexible materials can find applications in building-integrated PV systems,

flexible electronics, flexible power generation systems, and many other markets. High-efficiency (>20%) materials find

applications in large-area photovoltaic power generation for the utility grid as well as in small and medium-sized systems for

the built environment. Finally, we conclude with a look at the future challenges and prospects of the development of efficient

photovoltaic materials for meeting global energy demand.

Keywords: Solar cells; Efficiency; Crystalline silicon; Thin-film solar cell materials; silicon PV; Chalcogenide solar

cells; Organic solar cells; Perovskites

134

OP-34

Catalytic Enantioselective Hydrolytic Kinetic Resolution of Terminal Epoxides Promoted by Surface Modified

Mesoporous Silica Linked to Chiral (Salen)Co MX3 Complex

Santosh Singh Thakura*Nidhi Nirmalkarb and Praveen Kumar Yadava

aDepartment of Chemistry, Guru Ghasidas Vishwavidyalaya, Koni, Bilaspur (CG) India-495009

E-mail: [email protected], [email protected]

bCentral Institute of Mining and Fuel Research Bilaspur (CG) India-495001

Abstract:

Enantioselective catalysis by chiral metal complexes supported on inorganic mesoporous materials provides facile methods

for asymmetric synthesis in many ways, at least in terms of facile separation at the end of the reaction. The chiral salen

Co(III) bearing water stable Lewis acid M(OTf)3( M= Y or La) covalently linked to surface modified mesoporous silica have

been prepared. This solid nanostructures chiral salen cobalt material proved to be important heterogeneous catalyst for the

preparation of optically active terminal epoxides and diols via the hydrolytic kinetic resolution route of racemic terminal

epoxides. The heterogeneous asymmetric catalysis has many advantages over homogeneous counterpart on various

properties.

Keywords:Enantioselective Catalysis; Hydrolytic kinetic resolution; Optically active terminal epoxides.

135

OP-35

Decorating a three-dimensional CuMOF on rGO nanosheets as an electrode for high-performance supercapacitor

Sarathkumar K, A.K.guptab, M.K. Singha, N. Guhaa, D.K. Raia*

aDiscipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Simrol-453552

bDiscipline of Chemistry, Indian Institute of Technology Indore, Simrol-453552

*Corresponding author E-mail: [email protected]

ABSTRACT

High energy density, good rate capability and long-life span are the prerequisites for high-performance supercapacitor. It can

be achieved by utilizing the combination of pseudocapacitive and electrochemical double-layer capacitor properties in a single

hybrid electrode is an advanced approach. In this work, A 3D hierarchical porous CuMOF/rGO hybrid has been successfully

synthesized using a simple ultrasonication technique. The physicochemical and electrochemical properties of the electrode

material were evaluated. The hybrid material shows excellent supercapacitive performance than its constituent materials. The

maximum capacitance of 867 F/g at a current density of 1 A/g was obtained with 78% capacity retention after 1000 cycles.

Such high electrochemical performance has been attributed to the synergistic effect of both CuMOF and rGO.

Figure. a) Cyclic voltammetry and b) specific capacitance characteristics of the different electrode materials

Keywords: Hybrid material, supercapacitor, metal-organic framework, reduced graphene oxide

REFERENCES

[1] A. K. Gupta, M. Saraf, P. K. Bharadwaj, S. M. Mobin, Inorg. Chem. 2019, 58, 9844.

[2] A. K. Gupta, D. De, P. K. Bharadwaj, Dalt. Trans. 2017, 46, 7782.

136

OP-36

Green Synthesis of a Schiff Base in Aqueous Medium with High Yield and Low Reaction Time

Satyam Kumar Singh

University Department of Chemistry,

Bhupendra Narayan Mandal University,

Madhepura, Bihar-852113

Email:- [email protected]

ABSTRACT:-

Schiff bases with heterocyclic moieties constitute a class of pharmaceutical and medicinally important molecules. The

conventional methods for the synthesis of Schiff bases require long reaction times and use of organic solvents which are

toxic. I in the present communication report a novel and eco-friendly condensation reaction method presenting a green

synthesis of various Schiff bases by stirring 1,2-diaminobenzene with various aromatic aldehydes such as 2-formyl pyridine in

molar ratio 1:2 in water as a solvent. The method is experimentally simple, clean, high yielding green and undergoes

completion with reduced reaction time. The product is purified by simple filtration followed by washing with water and drying

processes. Ni (II) with the reported ligand are also synthesized with physicochemical method such as elemental analysis,

special studies and conductivity measurement. The tetraaza ligand behaves in a tetradentate manner utilizing all of its

azomethinic nitrogen and pyridyl nitrogen for condensation. The stereochemistry of the complex is found to be octahedral.

Anions are coordinated in axial direction. The complex also has significant microbial activity.

KEYWORDS:-

Ni (II) Complexes, Green Synthesis, Spectral Study, Microbial Study.

137

OP-37

Phytochemical screening and Characterization of Petroleum ether extract of Datura stramonium seed oil

Seema Parveen* and Rajni Bais

Department of Chemistry, Jai Narain Vyas University, Jodhpur

Email- [email protected], [email protected]

Abstract-

Background- Datura stramonium is a valuable medicinal plantwhich has diverse biological activities including antifungal,

antibacterial, larvicidal etc.

Aims and Objectives- The aim of our research work is to analyze the physico-chemical properties and Characterization of

Datura stramonium seed oil using petroleum ether extract as an extracting solvent. The main objectives is to make availability

of data relevant to physical and chemical properties of wild seed oils which would be helpful in diagnosing their potential in

chemical and pharmaceutical industries in near future.

Methods- GC-MS technique was employed for characterization of seed oil. The physico-chemical properties were determined

by using standard AOCS methods.

Results and Conclusion- The oil yield found in Datura stramonium is 26.11% moisture content 2.58%, saponification value

112.2, Iodine value 120.05 acid value 7.80 and free fatty acids 285% The amount of saturated fatty acid found is 19.3%and

unsaturated fatty acid is 80.5%.The phytoconstituents obtained from petroleum extract of seed oil are alkaloids, tannins,

flavinoids , terpenoids and saponins. The conclusion drawn from above findings it can be seen that Datura stramonium oil has

immense potential in Pharmaceutical, cosmetics and soap industries.

Key words- Datura stramonium,Phytochemical screening and Characterization.

138

OP-38

Investigation of bio-corrosion in stainless steelby Desulfovibrio desulfuricans bacterium and its mitigation with

green inhibitor

Shiv Kumar Manua*, R. Manivannanb

Department of Chemical Engineering, National Institute of Technology Raipur, 492010, Chhattisgarh, India


Usage of plant extracts as metallic corrosion inhibitors has drawn considerable interest over the last few decades. Ideal green

candidatures for removing conventional chemical corrosion are plant products.This work is intended to examine microbially

influenced corrosion on stainless steel due to presence ofDesulfovibrio desulfuricans which is anaerobic bacteria.

Experiments were performed in modified Barr’s medium, both control and inoculated condition. Weight loss method and

sulfide analysis were subsequently carried out to check the extent of corrosion effect by Desulfovibrio desulfuricans. From

SEM/EDS analysis, the surface morphology of metal / inhibitor elements present in the biofilm was examined.

An attempt to reduce the degree of corrosion by the use of green inhibitor was made. The pitting corrosion is confirmed from

the SEM images, which shows the behaviour of the bacteria on stainless steel coupons.Black precipitate deposits in the

bottom of the culture tube revealed the presence of ferrous sulfide and sulfur odour arising from the tube was due to the

bacterial activity. From the findings of the experiments, the activity of Desulfovibrio desulfuricans in the presence of turmeric

extract indicated a decrease in corrosion levels relative to biotic only. The metal's corrosivity is reduced when inhibitors are

used at sufficient concentration.

Keywords: Corrosion inhibitor, Microbially influenced corrosion, Desulfovibrio desulfuricans, scanning electron microscopy,

stainless steel.

139

OP-39

Elucidation of binding interactions between Harmane and Calf Thymus DNA: A Spectroscopic and Molecular

Docking study

Soching Luikham1and Jhimli Bhattacharyya2*

1,2Department of Chemistry, National Institute of Technology Nagaland, Chumukedima, Dimapur 797 103, Nagaland, Email:

[email protected], [email protected];

Peganum harmala (wild rue) is widely grown in various parts of the world and used as a potential folk medicinal plant. A

series of bio-active β-carboline compounds are present in seeds, bark, leaf and root of this plant. Such naturally occurring,

indole alkaloids and their derivatives play the key role for many plant based medicines. Though the traditional uses and

pharmacological effects of those molecules are known, their mechanism of action and scientific background are not explored

yet in details. Harmane (Har) is a widespread bioactive compound belonging to this group of alkaloid, posses, diverse

therapeutic value. In this study, the interaction between Har and Calf thymus (CT) DNA was investigated using UV-Vis

absorbance spectroscopy, fluorescence spectroscopy, fourier transform infra-red spectroscopy (FTIR) and molecular docking

technique(s). The experimental results showed the binding constant was in the order of 106 M-1 which signifies towards

strong binding capacity of Har. Higher salt and temperature conditions destabilized the 1:1 drug-DNA complexation. Salt

dependant studies furnished significant contribution of electrostatic interactions in ligand binding towards DNA.

Thermodynamic profile and energetic of the association reaction were evaluated from temperature dependent fluorescence

spectroscopy. The negative ∆G° and changes in ∆S° & ∆H° confirmed the spontaneity of the binding along with enthalpy-

entropy compensation. IR and MD data substantiated the structural information of the said interaction leading to exploration of

structure-function relationship. These results provide better understanding of pharmaceutical aspects of binding of small

molecule drug to natural DNA.

Keywords: Plant alkaloid based medicine, Harmane, drug-DNA binding, Structure-function relationship, Thermodynamics.

Acknowledgement: This academic research work is supported by NER-Twinning Project Scheme, DBT, Govt. of India. The

authors acknowledge Dr. Souvik Maiti, Senior Principle Scientist, CSIR-Institute of Genomics and Integrative Biology, New

Delhi (collaborator of the twinning scheme mentioned above).

140

OP-40

Biophysical Characterizations of Dietary Polyphenols- Lysozyme Interactions

Sourav Das and Atanu Singha Roy*

Department of Chemistry, National Institute of Technology Meghalaya, Shillong- 793003

E-mail id: [email protected]

Lysozyme is a small globular protein capable of reversibly binding with many small ligand molecules. The complexation of

bioactive dietary polyphenols (DPs), namely, kaempferol, luteolin, chrysin and 6-Hydroxyflavone with hen egg white lysozyme

(HEWL) along with the inhibitory influence of luteolin towards HEWL modification has been explored with the help of multi-

spectroscopic and computational methods. The binding affinity has been observed to be moderate in nature (in order of 104

M-1) and static quenching mechanism was found to be operative in the quenching mechanism. Spectroscopic measurements

along with molecular docking calculations suggest that Trp62 is involved in the binding site of the DPs within HEWL. The

involvement of non-covalent forces such as hydrogen bonding and hydrophobic interactions was indicated by the

thermodynamic parameters. The DPs could alter the secondary structure of the protein as indicated by circular dichroism

(CD) and Fourier-transform infrared spectroscopy (FTIR) studies. Leaving aside the binding study, luteolin, showed promising

inhibitory effect towards the D-ribose mediated glycation of HEWL as well as towards HEWL fibrillation.Excellent correlation

with the experimental observations as well as precise location and dynamics of the DPs within the binding site were obtained

from molecular docking and molecular dynamics simulation studies.1–4

References

1 S. Das, S. , S. Sarmah, M. A. Rohman, D. Paul, M. Jana and A. Singha Roy, Phys. Chem. Chem. Phys., 2019, 21,

12649–12666.

2 S. Das, S. Santra, M. A. Rohman, M. Ray, M. Jana and A. Singha Roy, J. Biomol. Struct. Dyn., 2019, 37, 4019–4034.

3 S. Das, P. Khanikar, Z. Hazarika, A. Rohman, A. Uzir, A. N. Jha and A. Singha Roy, ChemistrySelect, 2018, 3, 4911–

4922.

4 S. Das, Z. Hazarika, S. Sarmah, K. Baruah, M. A. Rohman, D. Paul, A. N. Jha and A. Singha Roy, J. Photochem.

Photobiol. B Biol., 2020, 205, 111825.

141

OP-41

A comparative Multi-state multi-dimensional Quantum-classical dynamics on Compact Polycyclic Aromatic

Hydrocarbons (CPAHs) by parallel TDDVR method

Subhankar Sardar

Department of Chemistry,Bhatter College, Dantan,P.O. Dantan, Paschim Medinipur,Pin - 721426, India

Abstract

The newly implemented [1] parallelized (98.2%) quantum classical dynamical approach, namely, Time Dependent Discrete

Variable Representation (TDDVR) method is applied to the astronomically important phenanthrene, acenaphthene and

pyrene to illustrate their various dynamical aspects, where several conical intersections are exist in their four lowest singlet

excited electronic states (X, A, B and C). The TDDVR method shows almost linear scalability with increasing number of

computing processors. First principles dynamics is performed to the adopted Hamiltonians to obtain photoelectron (PE)

spectra, zero electron kinetic energy (ZEKE), population dynamics and many other dynamical quantities. The reduced

densities of the wave packet in coupled electronic surfaces are used to elucidate the intrinsic dynamical features. TDDVR

calculated [2] and assigned ZEKE spectra of all CPAHs are found to be good agreement with the previous experimental data

and other available theoretical results.

Parallelization scheme of TDDVR method

References:

[1] S. Mandal, S. Ghosh, S. Sardar, S. Adhikari, Inter. Rev. in Phy. Chem. 37 (2019) 607.

[2] S. Sardar, Comput. and Theo. Chem. (Elsevier) 2020 (under review).

142

OP-42

Heterogeneous recyclable copper oxide supported activated red mud as an efficient and stable catalyst for the one

pot hydroxylation of benzene to phenol

Subhashree Mishra, a Rajaram Bal*b and Ratan Kumar Dey*a

a)Department of Chemistry, Central University of Jharkhand (CUJ), Ranchi – 835 205, India, E-

mail:[email protected];[email protected],Tel:+91-671-2953002

b)Catalytic Conversion & Processes Division, CSIR-Indian Institute of Petroleum (IIP), Dehradun-248005, India

E-mail: [email protected];

Phenol is a key intermediate in chemical industry. This research work reports facile synthesis of a new copper supported red

mud as a heterogeneous catalyst for oxidative conversion of benzene to phenol. The process includes one step benzene

hydroxylation reaction using H2O2 as an oxidant. The prepared material was characterized using FTIR, XRD, XPS, TEM and

BET surface area analyzer. The meso-porous characteristics of the material with surface area of 58.5 m2 g–1 and pore volume

of 0.163 cm3 g–1 indicate material properties suitable for catalytic applications. The one-pot hydroxylation reaction, carried out

at 75 oC under optimum reaction conditions in presence of catalytic material, shows conversion of benzene to phenol with

84.2% and 87.1 % selectivity and conversion efficiency, respectively. The catalyst shows good kinetic control over the

decomposition of oxidanton the surface leading to 87.1% overall conversion efficiency. The reusable properties of the

catalytic material, tested up to 5th consecutive cycles of batch operation (Fig.1) also indicate retention of selectivity (83.9%) as

well as conversion efficiency (86.7%) adhering to principle of green chemistry. Comparative aspect with reported commercial

catalysts indicates promising future commercial application of new catalytic material due tobetter conversion and selectivity in

competitive conditions.

Fig. 1.Reusable properties of catalytic material for the hydroxylation of the benzene.

143

OP-43

Synthesis, characterization and analysis of magnetic properties of doped Nickel (II) Ferrite Nanoparticles

Sudip Majumdera,*, Pratibha Sharmaa, Preeti Yadava, Hiroki Satob, Tomoyuki Haraguchib, Takashiro Akitsub

aDepartment of Chemistry, Amity School of Applied Sciences, Amity University Haryana, India

bDepartment of Chemistry, Faculty of Science, Tokyo University of Science, Kagurazaka, Shinjuku-Ku, Tokyo 162-8601,

Japan

Nanoferrites have become increasingly important in recent years due to their diverse application in various fields including

electronics, material sciences and medical biotechnology. Here we have successfully synthesized Nickel (II) Ferrite (NiFe2O4)

by aqueous precipitation method and doped it stoichiometrically by Li+ and Bi3+ions respectively to accomplish n and p doped

Nickel ferrites respectively through a cost effective avenue. Powder X-Ray Diifraction (PXRD) and Fourier Transform Infrared

(FTIR) Spectroscopy were utilized to investigate the structural features of the doped ferrites. Furthermore, all the samples

were analyzed for their magnetic properties.

M-H plot of these samples shows strong ferromagnetic character, whereas M-T data shows leap increase in magnetization

that gets enhanced with doping.

144

OP-44

Evaluation of novel Zinc(II) and Copper(II) Schiff Base Complexes: Combined Experimental and Theoretical

Investigation on Their DNA/Protein Binding Study and In-Vitro Anticancer Activity

Tithi Maity

Assistant Professor in Chemistry, Prbhat Kumar College, Contai


Two new metal complexes namely [Zn2(LH)2(N3)4] (1) and [Cu(L)(N3)] (2) have been derived from a Schiff base ligand, (E)-2-

(((2-(piperidine-2-yl)ethyl)imino)methyl)phenol (HL) employing azide as the secondary anionic residue. Single crystal

structural analyses suggest a unique protonation of the piperidine N during the crystallization of the dinuclear motif of complex

1 which is non-operative in case of complex 2 governing diverse denticity of the ligand backbone. After thorough

characterization, the complexes are exploited to check their bio-medical applications. Both the complexes exhibit impressive

binding efficacy with CT DNA as well as Human Serum Albumin (HSA) protein as revealed from electronic spectroscopic

measurements. A sharp fluorescence quenching of the DNA-EtBr conjugate and HSA protein has been encountered

separately via the addition of complex 1 and 2 with quenching constant of the order of ~105M-1. Molecular docking study has

also been done to justify the experimental outcomes along with the determination of the interaction site and energy. Finally

both the two complexes are tested for anti cancer activity using HeLa (cervical cancer cell) and PA1 (ovarian cancer cell) cell

line through invitro MTT assay which suggest better cancer cell killing efficacy of complex 2 and it was further supported by

nuclear morphology study by staining technique . Hemolysis assay result explored no consequential impact on RBC.

145

OP-45

An Efficient and Scalable Approach for the Synthesis of Piperazine based Glitazone and its Derivatives

Vijay Kumar Sharma a, b, Anup Barde*b, Sunita Rattan*a,

aAmity Institute of Applied Sciences, Amity University Uttar Pradesh, Sector-125, Noida, India; bIntegral Bio Sciences Pvt. Ltd.

C-64, Hosiery Complex, Phase-II Noida Uttar Pradesh, India

Diabetes has become a serious threat to human health in recent years. A recent report of the International Diabetes

Federation shows that around 463 million adults (20-79 years) are living with diabetes (IDF Diabetes Atlas Ninth Edition

2019). Two types of glycemic disorders viz. Type1 and Type 2 Diabetes mellitus (T2DM)have been identified out of which,

T2DM is the most widespread form of diabetes, representing around 90% of all diabetic patients world-wide. T2DM can be

treated by various types of drugs.[1] Glitazoneshavebeen used widely as anti-diabetic agent individually or in combination with

other drugs. Though glitazones are effective medications for treating insulin-resistant diabetes, the use of drugs such as

Rosiglitazone and Pioglitazone and Lobeglitazone is declining owing to safety concerns regarding cardiovascular mortality

and bladder cancer. [2]

A versatile and efficient synthetic approach has been developed for the synthesis of piperazine based glitazones

analogous to Lobeglitazone. Desired compounds were synthesized with good yields by alkylation of piperazine substrate with

various carbonyl compounds. This substrate has the potential for construction of novel heterocyclic compounds with

medicinal importance.

Significance, synthetic strategy, experimental details and characterization of these newly developed interesting molecules will

be presented in the oral presentation.

References

[1] Marín-Peñalver, J. J.; Martín-Timón, I.; Cristina, S. C.; and Francisco, J. C.; World J Diabetes. 2016, 7(17): 354–395.

Lee, M. A.; Tan, L.; Yang, H.; Yeong-Gwan, I.; Young Jun, I. Scientific reports 2017, 7(1), 16837, 1-11.

146

OP-46

[4+2] Cycloaddition Reaction of 3-benzylidineamino-[1,2,4]-triazole with sulfene and their antifungal activities

Susanta Kumar Borthakura, Pabitra Kumar Kalitab and Sukanya Borthakurc

aPG Department of Chemistry, Arya Vidyapeeth College, P O : Gopinath Nagar, Guwahati-781016, Assam, India

b Department of Chemistry, Sibsagar College, P.O. Joysagar-785665, Assam, India

c Materials Science and Technology Division, CSIR-North East Institute of Science and Technology, Jorhat-785006, Assam,

India


Fused 1,2,4-triazole represent an interesting class of compounds due to their versatile biological activities and their synthesis

has attracted the attention of several synthetic groups. Some times the fusion of heterocyclic nuclei enhances the biological

profile manifold more than its parent nucleus. The 1,3,5-thiadiazine and its derivatives are reported to be insecticidal and

accaricidal activity. These compounds are also reported to possess antifungal, hyplopemic and antiatherosclerotic activity.

The triazolo-thiadiazines are reported to be antimicrobial, antibacterial, anticancer and diuretic activity. These diverse

biological activity prompted us to synthesise some [1,2,4]-triazolo[3,2-c]1,3,5-thiadiazine-3,3-dioxide derivatives with the

expectation of enhancing the biological activities of these class of compounds. The title compounds were synthesized from 3-

benzylidineamino-[1,2,4]-triazole and sulfene generated in situ by a [4+2] Diels-Alder Cycloaddition reaction. 2-

substituted[1,2,4]-triazolo[3,2-c]-thiadiazine3,3-dioxide derivatives were successfully synthesized by the dropwise addition of

methanesulfonyl chloride in dioxane to a solution of 3-benzylidineamino[1,2,4]-triazole in dioxane at 0-50c under stirring during

30 min. The stirring was continued for a period of 3-4 hour at the same temperature. The reaction mixture was then poured

into ice and extracted with chloroform and dried over anhydrous Na2SO4.The solvent was removed under reduced pressure

and recrystallization of the residue gave the title compounds. All the compounds were characterized from 1H NMR,IR, MS

spectra and elemental analysis.The newly synthesized compounds were also tested for antifungal activities against

Rhizoctonia solani and Drechslera orazae, two fungal pathogens causing diseases on rice crop.

References:

1. [4+2] Diels-Alder Cycloaddition reaction of 2-benzylidineamino-4-phenyl-1,3-thiazoles with sulfene and their

antifungal activities.Susanta Kr. Borthakur, Paran Boruah and Birendra N. Goswami, J. Chem. Research, 2007,

February, 127-128

147

OP-47

The Potable Water Quality Characterization of three sectors in and around PurneaDistrict (Bihar) India.

Alok Kumar Yadav

Department of Chemistry, B.N.M.U, Madhepura,Bihar, India

Email:- [email protected]

Abstract

Ground water is the major source of drinking water in both urban/rural areas and mainly polluted through the non point

(diffusion) sources .Moreover,the sustainability of water for a particular use depends on the type and amount of impurities

that will some way or the other affect the desired use. The fluctuation in the key parameters of drinking water can be

attributed to domestic disposal and sewage in flow into the water bodies which can leach up to the groundwater table. Thus,

the present study were undertaken to characterize the physico-chemical parameters of underground water. Suitable

suggestion such as improving the sanitary and draining system and safe domestic disposal can control the degradation of

quality of the underground water.

Key Words: Water Pollution, Water Quality,Non Point (Diffusion) sources, underground water table.

148

OP-48

A review on metal-organic frameworks: Synthesis and applications

Dr. Abhinandan Rana

Assistant Professor, Dept. of Chemistry, Garhbeta College, Garhbeta, Paschim Medinipur, 721 127.


Abstract

Metal-organic frameworks (MOFs) are organic-inorganic hybrid crystalline porous materials that consist of a regular array of

positively charged metal ions surrounded by organic 'linker' molecules. The metal ions form nodes that connect the arms of

the linkers together to form one-, two-, or three-dimensional structures. Due to this void structure, MOFs have an unusually

large internal surface area.They have received enormous interest in recent years particularly as newly developed porous

materials. They possess a wide range of potential applications like gas storage, catalysis, sensor, drug delivery adsorption

etc. In the present review article various methods of synthesis and applications of MOFs have been discussed.

Keywords: Metal-organic frameworks; Synthesis; Gas storage; Sensors; Adsorption; Catalysts.

References

1. N. Stock and S. Biswas, Chem. Rev., 2012, 112, 933.

2. M. Safaei, M. M. Foroughi, N. Ebrahimpoor, S. Jahani, A. Omidi, M. Khatami, Trends in Analytical Chemistry,2019,118,

401.

3. R. J. Kuppler, D. J. Timmons, Qian-Rong Fang, Jian-Rong Li, Trevor A. Makal,Mark D. Young, Daqiang Yuan, Dan

Zhao,Wenjuan Zhuang, Hong-Cai Zhou,Coordination Chemistry Reviews,2009,253, 3042.

4. A. C. Tella and I. Y. Aaron, Acta Chim. Pharm. Indica, 2012, 2, 75.

149

OP-49

AN ASSESSMENT ON WATER QUALITY OF LAKES OF BENGALURU

Amita Somya*

*Department of Chemistry, Presidency University, Bengaluru-64, Karnataka


Abstract:

Water is one of the valuable and precious resources gifted by nature. Lakes and reservoirs, main source of surface water,

holding approximately 90% of the world’s fresh water are being utilized for industries, agriculture, fisheries, energy production,

domestic and many other day to day activities. The environmental status of the lake systems always depend upon their

exposure to several environmental factors that’s why surface water quality not only depends on natural processes like

precipitation inputs, weathering of crustal material and erosion etc. but, on anthropogenic impacts such as industrial, urban

and agricultural activities too.

The city of Bangalore, called as Lake City, in southern India is rapidly expanding and in less than four decades, the landscape

surrounding the lake has altered from a fundamentally agricultural area, dependent on the lake for irrigation and drinking

water, to a densely urbanized area where the lake is used predominantly for recreation. Lake water is a source of drinking

and domestic use for rural and urban population of India. The effect of urbanization has taken some heavy toll on the

Beautiful lakes in Bengaluru. Hence, the aim of present study has been to assess water quality of different lakes of

Bengaluru. For the same, water samples were collected from i.e., Sankey tank, Ulsoor, Bellendur and Hebbal lakes, situated

in different parts of Bengaluru and various physico-chemical parameters were analyzed in addition to some heavy metals to

check the fitness of water for human consumption.

Key words: Water, Lakes, Bengaluru, Physico-chemical analysis, Water quality.

150

OP-50

Mono and tri-nuclear cobalt(III) complexes with sterically constrained phenol based N2O2 ligand : Synthesis,

Structure and Catechol oxidase activity

Debdas Mandal

Department of Chemistry, Sidho-Kanho-Birsha University, Purulia - 723104, West Bengal, India

E mail – id: [email protected] Mono and tri- nuclear Co(III) complexes, [Co3(OMe)4L2]ClO4 (1) and [CoL(acac)] (2) have been synthesized

using sterically constrained tetradentate ligand N,N/-dimethyl-N,N/-bis(2-hydroxy-3,5-dimethylbenzyl)-ethylenediamine (H2L)

with varying reaction condition. Both the complexes have been characterized using various spectroscopic tools. Structural

analysis reveals that 1 is tri-nuclear methoxo and phenoxo bridged cobalt complex with CoIII – CoIII – CoIII linear core, whereas

2 is mononuclear mixed ligand octahedral Co(III) complex. Both compounds are structurally characterized by single crystal X

- ray diffractometer as well as various spectroscopic tools. The complex 1 crystallizes in orthorhombic space group C2 2 2

1with a = 12.651(4) Å, b = 14.698(5) Å, c = 26.854(9) Å while mono-nuclear complex 2 crystallizes monoclinic space group

Cc with a = 8.917(16) Å, b = 24.05(4) Å, c = 12.10(2) Å.Both compounds show catechol oxidase activity.in methanolas

monitored by the UV–Vis spectroscopy of the aerial oxidation of 3,5-DTBC to 3,5-DTBQ. The kinetic parameters have been

determined using Michaelis–Menten approach.The complexes are efficient catalysts with high turnover numbers 3.32 × 103

h-1 and 2.19 × 103 h-1 for 1 and 2, respectively. Mechanistic investigations of the catalytic behaviour by ESI-MS spectra and

estimation of hydrogen peroxide formation indicates that the catalytic reaction occurs through the reduction of Co(III) to Co(II).

151

OP-51

Cellulose nanofibers (CNFs) from vegetable waste: isolation and characterization

Sunil K. Bhanjaa, Sukesh Patrab*

aDepartment of Chemistry, Government General Degree College, Kharagpur-II, Paschim Medinipur, 721149, West Bengal,

India.

bDepartment of Chemistry (UG & PG), Midnapore College (Autonomous), Midnapore, 721101, West Bengal, India.

* Corresponding author.


________________________________________________________________________

The peel of vegetable of municipal waste is a big environmental hazard in municipal area. Municipal waste was explored as a

source of raw material for production of cellulose nanofibers (CNFs). Cellulose nanofibers were isolated from peel various

vegetables like cucumber, pointed gourd, luffa, etc. using alkaline treatment, bleaching and acid hydrolysis to eliminate non-

cellulosic compounds and amorphous cellulose. Chemically treated cellulose fibers were then mechanically tailored and

separated into nanofibers using high-intensity ultrasonication. Purity of the cellulose was characterized by Fourier

transformation infrared (FTIR) and 13C NMR spectroscopy. Crystallinity of cellulose nanofibers was characterized by X-ray

diffraction (XRD). FTIR, XRD and SEM results indicated chemical treatment employed was effective in removing compounds

other than cellulose fibers. SEM images supported the presence of nanofibers of cellulose. Municipal waste can be

considered as a renewable source of nanofibers and it reduces somewhat environmental problem in urban area.

Keywords: Carbohydrate, vegetable waste, cellulose, NMR, CNF.

___________________________________________________________________________

152

OP-52

Synthesis of 2,5-disubstituted Oxazole Dyes Involving a Two-step Strategy

Jyotirmoy Maiti, Suman Biswas*,Ranjan Das*

Department of Chemistry, West Bengal State University, Kolkata-126

[email protected]

More than hundred years old oxazole-chemistry has drawn a great deal of attentions of the chemists and

researchers over the world since when a large number of oxazole containing cyclic and acyclic bio-active natural products

have been isolated in late 1980s. Both the synthetic chemists and bio-chemists started to take interests towards these

oxazole-based macromolecules owing to their challenging structural features and a wide range of bio-activity.

2,5-disubstituted oxazole dyes have been emerging a powerful tool for photophysical studies ever since the recent

development related to fluorescence property of oxazole containing dyes which are showing advantages towards the

detection of various bioanalytes. We have engaged our efforts towards this and recently published a paper on the

photophysical study of such a commercial 2,5-disubstituted oxazole dye, namely sodium salt of 5-(4’’-dimethylaminophenyl)-

2-(4’sulfophenyl)oxazole (DMO) in micelles. With this successful study we took two-step strategy to synthesize 2,5-

disubstitutedoxazoles, which are expected to show environment-sensitive fluorescence.The first step isthe classical van

Leusen protocolto get 5-substituted oxazole followed by arylation at C-2 to afford our desired 2,5-disubstituted oxazole.

TosMIC + Ar1-CHObase

van Leusen protocol N

OAr1

5-aryloxazole

Ar2-X

N

OAr1 Ar2

2,5-disubstituted oxazole

metal-assisted arylation

153

OP-53

Relevance of π-stacking in tuning the neighboring structural pattern of soft nano-aggregates

Gulmi Chakrabortya, SoumikBardhanb, SoumenGhosha and Swapan K. Sahac*

aDepartment of Chemistry, Jadavpur University, Kolkata 700032, India.

bBJM School of Biosciences and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036

cDepartment of Chemistry, University of North Bengal, Darjeeling, 734 013, India.

*corresponding author, E-mail: [email protected]

Abstract:

Smart wormlike micellar blends can be readily formed from surfactant micelles in presence of counterion, salt or under

varying conditions of pH, concentration, salinity driven by cation-π interaction whereas the role of π-π interaction in the same

remains less explored. In this investigation the impact of π-π interaction on nanoaggregates of cationicamphiphile viz.,

cetylpyridinium bromide (CPB) in contrast with the cation-π interaction in cetyltrimethylammonium bromide (CTAB) in the

presence of surface-active aromatic π conjugated hydroxy aromatic derivatives of naphthaleneviz., 1 Naphthol, 2 Naphthol

and 2,3 Dihydroxynaphthalene is reported. The presence of π-π interaction in CPB enables stronger synergism between the

hydroxynaphthalenes compared to the non-aromatic analogue CTAB while face-to-face stacking interaction in CPB-

hydroxynaphthalene systems lead to formation of worm like micelle (WLM) with relatively short entanglement lengths as

compared to that in CTAB. The modification of surface parameters and molecular interactions of the systems are studied via

tensiometry, 1H nuclear magnetic resonance (NMR), 2D-Nuclear Overhauser effect spectroscopy (NOESY) and small angle

neutron study (SANS). The non-Newtonian behavior of the complex fluids comprising the cationic amphiphiles and

hydroxyaromatic derivatives are studied using static and dynamic rheometry.

Keywords: π-π interaction; morphology transition; interface curvature; NOESY; rheology

154

OP-54

Chemistry: INEVITABLE CHEMISTRY

Ms. Pallobi Sarkar

State Aided College Teacher Surya Sen Mahavidyalaya

E.Mail: [email protected]

Chemistry is a central science and is interconnected to all other branches .If living body is made up of Chemistry in each bit ,

we can describe each and every non living bodywith chemistry. Humans today live markedly better lives than our ancestors.

One big reason-Chemistry .The chemical industry produces near about 70,000 commercial products. In many

countries,however the commercial industry is often viewed by general public,as causing more harm than good.There are

several reasons for this , including general ignorance of the end use and value of the industry's product, however a major

reason is that the industry is perceived as being polluting and causing significant damage.Probably , the term “Environmental

Degradation “ does not connect any other branch as Chemistry can.We are surrounded by Chemicals and one truth is we

can’t be Chemical-less.It is rightly said that “ what you don't have ,can’t harm you ” My presentation will cover a comparative

study starting from contribution of chemistry to human kinds , environment to giving sustainable solutions ,ensuring that if

chemistry is the reason &then also only Chemistry is the panacea but obviously taking beside other fields of science &

technology.

Key words: Sustainable, central , panacea .

155

OP-55

Macrocyclic Zn(II) complexes as potent catalysts for the ester hydrolysis

Sarvesh Kumar Pandey

Department of Chemistry, DDU Gorakhpur University

Gorakhpur-273009, Uttar Pradesh, India

E mail: [email protected]

ABSTRACT

A new series of Zn(II) macrocyclic complexes has been synthesized by the reaction of different Schiff bases in the presence

of zinc(II) acetate dihydrate in ethanol. The complexes have been characterized by means of elemental, spectral (IR, 1H and

13C NMR) and SEM analysis. The kinetic studies were done to study the catalytic properties of these complexes towards the

hydrolysis of p-nitrophenylacetate (pNPA) at 25°C in aqueous dimethylsulfoxide using phosphate buffer (pH = 7.0–8.5). On

the basis of these studies, a plausible mechanism for the hydrolysis of pNPA is proposed. Therefore, this type of complexes

can be used as potent catalysts for ester hydrolysis.

Keywords: Macrocyclic ; Zinc(II) complex; SEM; ester hydrolysis, Kinetics

156

OP-56

Demulsification of Crude Oil using naturally formulated low temperature Demulsifier

Yogesh Dhandhiand Dr.Tarun Kumar Naiya*

Department of Petroleum Engineering, Indian Institute of Technology (ISM), Dhanbad

*Email ID: [email protected]

ABSTRACT

The crude oil emulsion is one of the main issues facing the oil and gas industry from the underground (tank) to the surface.

Because the environment in which hydrocarbons (Petroleum) are discovered is probable to generate water alongside crude

oil, this study attempts to discover a solution to the constant issue of using locally developed demulsifier to treat crude oil

emulsion. A significant issue for the oil industry globally is the need to create a cost-effective and efficient demulsifier to treat

crude oil emulsions without compromising quality and environmental safety. This research therefore seeks to develop and

formulate inexpensive and environmentally secure demulsifiers. Materials used in the formulation of the local Demulsifier

include vegetable oil, wax, liquid soap, amylum and tested on the Indian field crude oil.To test the efficiency of locally

formulated demulsifier static bottle test is performed, it is conducted at distinct temperatures up to 80ºC. In addition, the

formulated demulsifier is further explored with more effective demulsification variables such as temperature, demulsifier

concentration, pH, and salinity. Separation of emulsion is discovered to improve with increased concentration of demulsifier,

increased temperature, and increased concentration of salt.

It is found that in comparison with commercial demulsifier the new formulation gave 75% volume of water separation while

commercialdemulsifiergave45% volume of water separation from the emulsionat 60ºC. Water quality has also been screened

and discovered to contain 1% of sediments divided to 0.67%. Thus, the aim of this document is to formulate a fresh

environmentally friendly local cost-effective demulsifier and to compare it for quality check with commercial demulsifier.

157

OP-57

Total Synthesis of Indolizidine heterocycles

Dr. Bibhuti Bhusan Parida

[email protected]

P. G. Department of Chemistry, Berhampur University, Odisha

N-heterocycles play very important role in medicinal chemistry. N-heterocycles displays wide range of biological activities,

role in drug discovery and many others. Indolizidine heterocycles isolated from various sources. The indolizidine heterocycles

exhibit several biological activities. The general method of palladium catalyzed cross coupling of cyclopropanol with acyl

chloride to yield 1,4-diketone was employed as key step. The 1,4-diketones, synthesized as building blocks using the method

developed, was used in construction of various substituted indolizidines. The method of construction of 1,4-diketones is

compatible to many functional groups which is necessary in multistep synthesis and synthetic organic chemistry especially in

total synthesis. This method is robust, provides gram scale synthetic method for indolizidine class of natural products.

N

R

H

R

R1

OH

R2

Et2Zn,Pd(PPh3)4 (5 mol%)

R

O

Cl

(slow addition)

R1

O

R2 O

R

R = aryl, alky

-unsaturated

Reference: (1) B. B. Parida, P. P. Das, M. Niocel, J. K. Cha, Organic Letters, 2013, 15, 1780-1783

(2) N. N. Rao, B. B. Parida and J. K Cha, Organic Letters, 2014, 16, 6208-6211

158

OP-58

ADSORPTIVE REMOVAL OF HEAVY METAL FROM AQUEOUS MEDIUM

Dr.Sourav Majumder

State Aided College Teacher

Department of Chemistry, Kaliachak College, University of Gour Banga


ABSTRACT

Application of cynodon dactylon and orange peel powder for the removal of Cd (II), major hazardous heavy metals of the

environment is discussed here. The extent of adsorption depends on pH, adsorbent dose and contact time. An increase in

percentage removal of cadmium is observed when pH is varied from 4 to 6.5. Experimental data interpret Freundlich and

Langmuir isotherm describing favorable biosorption with orange peel powder with cynodon dactylon percentage removal at

pH 6.5 is 46.8% .On varying pH, there was no change in percentage removal takes place. Cynodon dactyl on removes

cadmium through roots stems and leaves whereas orange peel powder is effective due to its active sites. 100 ml 1 ppm Cd

(II) solution is treated with 1 g orange peel powder up to different intervals of time as a result of which maximum percent

removal of 65.8% is obtained. Further10 g of cynodon dactylon on treatment with 100 ml 1ppm Cd solution up to 24 h, 48 h

and 72 h gives 0.562 ppm, 0.54 ppm and 0.532 ppm residual concentration of Cd .It may be concluded that orange peel

powder is an effective adsorbent of Cd (II) from aqueous medium.

Figure: log qt vs. log ct (Freundlich isotherm Cd (II) ion- orange peel powder system) at 260c and pH 6.5 & ct/qt vs ct

(Langmuir Isotherm of Cd(II)- orange peel powder system) at 260c and pH 6.5.

159

OP-59

Use of Semiconductor Nanomaterial for the Degradation of Organic Compound in Water

Trishita Bhattacharjee1, Chaudhury Gaurav Malik (third year,B.Tech)

1,2Department of Chemical Engineering, Haldia Institute of Technology, Haldia 721657 West Bengal, India.

[email protected]

Continuously increase of toxic organic component in surface and ground water become an emerging issue for the

environment in the recent years. Different classes of numerous organic compounds have been passes through sewage

treatment plants (STPs) of industry and municipality, which in turn contaminate in the aquatic environment. In general,

organic compounds present in industrial wastewater are difficult to degrade due to its complicated structures. The toxic

compounds present in water include aromatic compounds, antibiotics, dyes, etc. There is a dangerous effect of such

component towards human beings, animals and other aquatic life when presence in excess quantity in water. Metal oxide

semiconductor nanomaterial plays an important role in degradation of the organic compounds in water. Photo catalytic

degradation of toxic organic compounds in water is considered as an advance water treatment process over conventional

processes such as membrane filtration, adsorption, etc. This study focuses on the degradation efficiency of the

semiconductor nanomaterial in the degradation of organic pollutants in water. Semiconductor materials such as TiO2, CdS,

ZnS, etc have prominent role in the photo degradation of organic compounds.1 Among several metal oxide semiconductor

nanoparticles TiO2 is proved to be a promising candidate for photo catalysis because of its higher efficiency, low toxicity, and

long term stability, low cost, photo induced strong oxidation activity. Along with band gap of material surface area is also an

important parameter to enhance the activity of anyphoto catalyst. Nanomaterials of different morphologies such as

nanowires2, nanotubes3, nano rods,4 and nano spherewere proved to be more active compared to regular spherical

nanomaterials. Especially hollow nanoparticles have attracted considerable attention because of its larger surface area along

with some parameter, such as low density, good surface permeability and high light-harvesting efficiencies.

Keyword: Semiconductor; Nanomaterials,Nano spheres, Organic compounds, Photo catalysis.

Reference:

1. Boxi .S.S; Paria.S. Effect of silver doping on TiO2, CdS, and ZnSnanoparticles for the photocatalytic degradation of

metronidazole under visible light.RSC Adv., 2014, 4, 37752

2. Ji.L, Wang.Z, Li.Z and Liang.J, Preparation of Aligned Titania Nanowires with an Aligned Carbon Nanotube Composite

Template, Mater. Lett., 2008, 62, 1979–1982

3. Grandcolas.M, Ye.JandHanagata.N, Combination of Photocatalytic and Antibacterial Effects of Silver Oxide Loaded on

Titania Nanotubes, Mater. Lett., 2011, 65, 236– 239

4. Zhang.Y,Gao.Y, Xia.X.H, Deng.Q.R, Guo.M.L, Wan.LandShao.G, Structural Engineering of Thin Films of Vertically

Aligned TiO2 Nanorods, Mater. Lett., 2010, 64, 1614–1617.

5. Boxi .S.S; Paria.S.Visible light induced enhanced photocatalytic degradation of organic pollutants in aqueous media

using Ag doped hollow TiO2 nanospheres.RSC Adv., 2015, 5, 37657

160

OP-60

161

OP-61

Small molecule inhibits insulin fibrillogenesis and preserves activity

Anirban Das,a Yogesh M. Gangarde,aVinitiTomar,b Omkar Shinde,bTulsi Upadhyay,bSarfaraz Alam,aSudiptaGhosh,a Varun

Chaudharyb& Ishu Saraogi*,a,b

aDepartment of Chemistry, IISER Bhopal,bDepartment of Biological Sciences, IISER Bhopal,

Bhopal Bypass Road, Bhopal – 462066, Madhya Pradesh, INDIA

(E-mail: [email protected])

Amyloidogenesis is a well-known phenomenon observed in various diseases like Alzheimer’s, Parkinson’s etc.[1] Insulin

amyloidosis, while rare under physiological conditions, has been observed at repeated insulin injection site in diabetic

patients.[2]Additionally, the aggregation of insulin poses significant challenges during its industrial production, storage and

transport; and reduces bioavailability of insulin in diabetic patients.[1] Thus, it is necessary to develop small molecule inhibitors

of insulin aggregation, both for potential biomedical applications and to provide valuable mechanistic insights into the

aggregation process.

M1 was found to be the most potent molecule for insulin aggregation inhibitionfrom our primary biophysical analysis.[3]Further,

M1 showed a dose dependent effect on insulin fibril formation as revealed by Thioflavin-T (ThT) assay and TEM imaging.

These results were consistent with Circular Dichroism(CD) assay, which showed reduction in β-sheet formation in M1 treated

insulin. Molecular Docking study revealed that M1 potentially bind to and stabilized the partially folded insulin intermediate. In

cell-based assays, M1 was found to protect HEK293T cells from insulin amyloid induced toxicity. Further, M1 treated insulin

was found to be functionally active in maintaining cell proliferation in Drosophila melanogaster wing epithelium. This work

identifies M1 as a potential lead molecule to prevent insulin amyloidosis.

References:

[1] J. Brange, L. Andersen, E. D. Laursen, G. Meyn, E. Rasmussen, J. Pharm. Sci.1997, 86, 517–525.

[2] F. E. Dische, C. Wernstedt, G. T. Westermark, P. Westermark, M. B. Pepys, J. A. Rennie, S. G. Gilbey, P. J. Watkins,

Diabetologia1988, 31, 158–161.

[3] A. Das # , Y. M. Gangarde # , V. Tomar, O. Shinde, T. Upadhyay, S. Alam, S. Ghosh, V. Chaudhary, I. Saraogi* , Mol.

Pharm2020, 17, 1827

162

OP-62

Use of waste materials in road flexible pavement: a novel study

Krushna Chandra Sethi1, Pravat K. Swain2

1Dr.K.N Modi University, Newai, Rajasthan, India 2Department of Chemistry, Satyasai Engineering College, Balasore-756002, India

Email:[email protected]

Abstract

Bituminous Concrete (BC) is a composite material mostly used in construction projects like road surfacing, airports, parking

lots etc. It consists of asphalt or bitumen (used as a binder) and mineral aggregate which are mixed together & laid down in

layers then compacted. Now a day, the steady increment in high traffic intensity in terms of commercial vehicles, and the

significant variation in daily and seasonal temperature put us in a demanding situation to think of some alternatives for the

improvisation of the pavement characteristics and quality by applying some necessary modifications which shall satisfy both

the strength as well as economical aspects. . The present work depicts the use of a new modifier (liquid form) for

development of cost effective and high performance modified binder and its mixes application for construction and

maintenance of asphalt roads. The goal of improving bitumen properties is achieved using 0.5 percent of a copolymer Vinyl

Acrylic. The need of the current hour is to use the waste polythene in some beneficial purposes. Lime & fly ash were used as

filler in modified bituminous concrete mixes. Various volumetric properties e.g.air voids, VMA, VFB and mechanical

properties like , Indirect tensile strength (ITS), Tensile strength Ratio (TSR), Retained stability, Marshall Stability, Flow value,

are determined. Performance tests like Rutting, Resilient Modulus, Dynamic creep and fatigue were also conducted on

conventional and modified mixes of VG-30. Various percentages of polythene are used for preparation of mixes with a

selected aggregate grading as given in the IRC Code. The role of polythene in the mix is studied for various engineering

properties by preparing Marshall Samples of BC mixtures with and without polymer.

Keywords: Bituminous Concrete (BC), Marshall Stability, Flow value, Optimum Binder Content

163

OP-63

Optical Properties of MnCl2 doped Polyvinyl Alcohol/MnCl2 Composite Film

M. Banerjee,1 Amit Jain,1,2 G.S. Mukherjee3*

1Nanoscience and Nanotechnology Laboratory, School of Physics, Devi Ahilya University, Indore- 452001, India

2Department of Engineering Sciences and Humanities, Indore Institute of Science and Technology, Indore, 453331, India

3Defence Research & Development Organization (DRDO), DMSRDE, Kanpur, 208013, India

------------------------------------------------------------------------------------------------------------------------------------- -

Abstract

Composite films of pristine PVA (polyvinyl alcohol) and its MnCl2 filled polymer composite film, MPVA have been prepared

and their optical properties have been determined. X-ray diffraction, FTIR, and uv–vis analyses reveal that there is strong

interaction between manganese chloride salt and the PVA polymer. Interchain separation (R) for MPVA composite and

pristine PVA films was found to be 4.69 and 5.60 Å respectively, thus showing polymer chains are more compact in the

composite film MPVA. Optical energy band gap of polyvinyl alcohol was found to have decreased on incorporation of MnCl2

in polyvinyl alcohol to effect ca. 2.5-fold increase in optical conductivity. Refractive index of the composite film MPVA was

found to be higher than that of PVA in the visible range up to 710 nm but beyond that it became lower than that of PVA.

Incorporation of MnCl2 to PVA led to increase in dispersion energy. Urbach energy (Eu) for MPVA and PVA was found to be

0.8.2 and 0.70 eV respectively. Morphological study reveals formation of sunflower like structure at nano-scale level in the

composite film and it exhibits a higher roughness and absorbance than those of pure PVA film. Average oscillation

wavelength (λ0) and oscillation strength (S0) were determined where MPVA found to show higher oscillation strength (S0)

than that of PVA.

164

OP-64

Aquatic protic ionic liquid enhanced the synergistic H-bonding interactions of interfacial water at nanoscale

environment

Soumik Bardhana,b, Shankha Banerjeea and Sanjib Senapatia

aBJM School of Biosciences and Department of Biotechnology

Indian Institute of Technology Madras, Chennai 600 036, India

bPresently at Department of Chemistry, Rampurhat College (Govt. Spons.)

PO: Rampurhat, Birbhum, PIN: 7311224


Abstract:

The application of reverse micelles (RMs) both in fundamental and translational research is ever growing. In biological

applications, there is a particular need for biocompatibleformulations of RMs. In this work, we formulated such a RM with

water/sodium bis (2-ethylhexyl) sulfosuccinate (AOT)/Isopropyl myristate (IPM) that even exhibited enhancedstability and

much improved water uptake capacity with the addition of newly synthesizednontoxic ionic liquids (ILs). We added solute

amount of a protic, tetramethylguanidiniumsalicylate ([TMG][Sal]) and aprotic, cholinium salicylate ([CHO][Sal]) ionic liquids

(ILs) to compare the relative competence of two classes of ILs in such formulations. Our size andrheological measurements

show that protic IL based RM droplets are larger and moretemperature insensitive. While ATR-FTIR measurements indicated

localizations of the ILs at the water/headgroup interfaces, FTIR via D2O probing results show higher degree of [TMG]-

assisted water-surfactant interaction which also increased the bound water populations in confine environment. Our study

suggests that protic IL based RMs with tunable droplet size could be a promising template for various reverse micelle based

biological applications, and with expanding horizon of ILs this novel class of molecules.

165

OP-65

A Great Importance About Lead Free Relaxor Ferroelectric Ceramics with High Energy Storage Density

Mrinal K. Adak, DebasisDhak

Department of Chemistry, Sidho-Kanho-Birsha University, Purulia 723104, India

Email ID: [email protected]

In twenty first century, research on energy storage is a tremendous search in scientific community due to renewable

energy sources and energy storage solutions are two main keys in future global economy. Low cost, environmental friendly

with high energy conversion and storage efficiency system is needed for rapid development of electronic devices, vehicles

and also in pulsed power weapon systems. In this situation, lithium ion batteries, solid oxide fuel cells, flywheels,

electrochemical super capacitors, superconducting magnetic energy storage systems, dielectric capacitors are being paid

fantastic attention and research concern. Among different dielectric materials, relaxor ferroelectrics (RF) are giving high

recoverable energy density and due to this reason they are generally used in energy-storage materials. In this respect, lead-

free ferroelectrics are got importance and searchable due to environmental issues. Association of different radius metal ion

with RF can stimulate local electric fields and elastic fields that enable to break up long rang ordering and create local

heterogeneous structure in the form of PNRs (polar nano regions) or nanodomains which are accountable for relaxation.

Aurivillius type Bi-layered structured ceramics are much importance in these characteristics.

SrBi2Nb2O9, BaBi2Nb2O9 are important Aurivillus type ferroelectric materials. Transition metal (Co, Ni, Cu) doping at

‘A’ site of SrBi2Nb2O9, SrBi2NbTaO9, BaBi2Nb2O9, BaBi2NbTaO9are prepared using precursor solution decomposition method.

The synthesized ceramics are nanomaterilas and exhibit relaxor ferroelectric characteristics. Powder X-ray diffraction study

establish single-phase characteristics, Scanning and transmission electron microscope is used to determine surface

morphology. Dielectric characterization, impedance spectroscopy studies indicate the materials are relaxor characteristics. In

P-E hysteresis study, materials show energy storage characteristics. The energy storage density is increased with increasing

the applied electric field. Ba0.5Ni0.5Bi2Nb2O9, Ba0.5Co0.5Bi2Nb2O9showed energy efficiency higher than 83%. The ceramics also

exhibit high fatigue free behavior upto 105 switching cycles.

References:

[1] M. K. Adak, P.Dhak, A. Singh, S. Sen, D.Dhak, J. Mater. Sci.: Mater. Electron, 27(2) (2016) 1535-1546.

[2] M. K. Adak, A. Mukherjee, A. Chowdhury, U. K.Ghorai, D.Dhak, J. Alloys Compd, 740 (2018) 203-211.

[3] M. K. Adak, A. Mukherjee, A. Chowdhury, J.Khatun, D.Dhak, J. Indian Chem. Soc., 95 (2018) 1025-1028.

[4] M. K. Adak, D. Dhak, J. Indian Chem. Soc., 96 (2019) 1-6.

167

OP-67

N-Heterocyclic Carbene-catalyzed Stereoselective Homoenolate addition reaction to 3-Cyano-2-imino-2H-Chromene:

Synthesis of 2-amino-3-cyano-4H-chromenes

Pushpendra mani Shukla, Aditya Bhattacharya, Rahul Dwivedi and Biswajit Maji*

Department of Chemistry, Indira Gandhi National Tribal University

Amarkantak, M.P.-484887, India

Paper presenting author: [email protected]

Abstract:

“2-amino-4H-chromenes”are capable of interacting with various cellular targets which leads to their wide spread biological

activities such as antitumor, antihepatotoxic, antioxidant, anti-inflammatory, diuretic, anticoagulant, antiposmolytic, estrogenic,

antiviral, antifungal, antimicrobial, antihelminthic, hypothermal, vasodilatory, anti HIV, antitubercular,and analgesic.1 Recently,

2-amino-4H-chromene based mitogen-activiated protein kinase inhibitor (MK-2), tumor antagonist HA14-1 and anticancer

drug MX-58151 are prime examples (Scheme 1; Figure 1). Over the decades, the majority of the reactions for the synthesis of

2-amino-4H-chromene relied on either Michel-type reaction with 2-imino-3-cyano-2H-chromenes or domino reaction of in situ

generated o-quinomethides with active methylene compounds containing carbonitrile (-CN) functionality (Scheme 1A& 1B)2-3.

Our ongoing interest on NHC-catalyzed organic reactions4-5, herein, we have developed a NHC-catalyzed highly

diastereoselective homoenolate addition reaction between enaland 2-imino-3-cyano-2H-chromenes (Scheme 1C). The

details of optimization study, substrates scope, a plausible reaction mechanism including a preliminary enantioselective

version of this catalytic method will be presented.

O NH2

2-amino-4H-Chromenes

O

CN

NH2

OMe

MeO Br

Me2N

MX-58151 anticancer activity

O Ar

O

CN

NH2

antibacterial activity

O NH2

O

OEtBr

CNEtO

HA14-1

R

C

O NH

R

O

C Nucleophile

-CN, CH3NO2, active-

methylene compounds

Michael Addition

(Well-studied)

(Well-studied)

R1

O CN

R

NHC HomoenolateChemistry(This work)

O NH

R

(Figure 1)

Scheme 1A

Scheme 1B

(Scheme 1C)

Diastereoselective

Catechol as additive

R1 CHO

Enantioselective

Scheme 1Representative examples of 2-amino-4H-Chromene core with biological activities (Figure 1), synthetic strategies (Scheme 1A&1B) and Current work (Scheme 1C) References: [1]Ellis, G. P. In The Chemistry of Heterocyclic Compounds. Chromenes, Chromanes,and Chromones; Weissberger, A., Taylor, E. C., Eds.; John Wiley: New York,1977; pp 11–141. Chapter II. [2] Moafi, L.; Ahadi, S.; Bazgir, A.; TL, 2010, 6270-6274. [3[ Zhang, L,; Zhou, X.; Li, P.; Liu, Z; Liu, Y.; Sun, Y.; LI, W.; RSC Adv., 2017, 7, 39216. [4] Maji, B.; Asian Journal of Organic Chemistry, 2018, 7, 70-84. [5] Maji et al. Org. Chem. Front,2019, 6, 3523-3529.

168

OP-68

Design and Development of Tröger’s Base Functionalized Recyclable Porous Covalent Organic Polymer (COP) for

the Dye Adsorption from Water

Satyajit Saha,a Valmik P. Jejurkar,and Gauravi Yashwantrao

Dept. of Dyestuff Technology, Institute of Chemical Technology, Matunga,

Mumbai, Maharashtra-400019, India.

Corresponding author (Satyajit Saha) email: [email protected]

Abstract:

Protection of the environment from the uprising threats of pollution from several chemical industries in a sustainable way has

become the major global challenge. The colored effluents from the textile and dyestuff industries are the major sources of

pollution, contaminating the water bodies. Herein, we have synthesized a covalent organic polymer TBTPACOP having a V-

shaped Tröger’s base unit into the framework with the notion that the unique cleft like architecture of TB will infuse porosity

and robustness in the amorphous polymeric material. the covalent organic polymer (COP) was used for the adsorption of

anionic acid dyes from the aqueous effluent. The equilibrium adsorption capacity (qe) was found to be 188.96 mg/g. The

excellent dye adsorption capacity of the COP by adsorbing 95% of the acid dye (Acid Orange II) at room temperature within

70 mins, along with its recyclability up to four consecutive cycles, makes TBTPACOP an extremely promising material for

selective and efficient removal of acid dyes from the aqueous effluent.

Keywords: Tröger’s base, Dye removal, Covalent Organic Polymer

Reference:

1. Valmik P. Jejurkar,Gauravi Yashwantrao,and Satyajit SahaNew J. Chem. 2020, DOI: org/10.1039/D0NJ01735C

169

Contributory Papers

Poster Presentation (1-50)

170

PP-1

Assessment of drinking water quality of Ashoknagar District (M.P.)

Abhishek Sharma, Niraj Upadhyay*

Email id: [email protected] &[email protected]

Environmental Inorganic Chemistry Laboratory, Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya (A Central

University), Sagar (M.P) 470003, India

Abstract:

A large population of India is suffered by waterborne diseases (like diarrhoea, cholera, stone etc.) due to polluted/ inadequate

drinking water that indicate necessity of regular water quality assessment. The drinking water quality of Ashoknagar district

(Madhya Pradesh, India) is therefore assessed and summarized in this work by performing pre-monsoon and post monsoon

sampling (in the year 2019-20). The entire district was divided into 6×6 Km2 grids and 126 samples in each of the season

was collected and analysed for the parameters like pH, TDS, salinity, DO, EC, alkalinity, hardness, Ca2+, Mg2+, Cl-, SO42-,

PO43-, F-, NO3- etc. Though drinking water quality for a large number of samples was found safe (as per BIS standard), but

around 20% samples (used by a considerable part of the population) was found not suitable.

Key Words: Water quality parameters; drinking water; physicochemical parameters; Ashok Nagar District; BIS standards;

waterborne diseases.

171

PP-2

Colorimetric detection of Mn2+ using 1-Butyl-3-methylimidazolium octyl sulphate ionic

liquid capped Silver Nanoparticles

Akashdeep Sahu, Indrapal karbhal and Kallol K. Ghosh

School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.) 492010


Abstract

1-Butyl-3-methylimidazolium octyl sulphate ionic liquid capped Silver nanoparticles (IL-AgNPs) probe have been

developed for the sensitive and selective detection of Mn2+ ions by using the colorimetric technique. The selective detection

has been performed by taking various metal ions such as Ba2+, Ca2+, Cd2+, Mg2+, Cu2+, Fe2+, Ni2+, Zn2+, and Mn2+ ions and

carried out under optimum conditions using UV-vis spectroscopy. It is found that IL-AgNPs was highly selective towards the

Mn2+ ion as a colorimetric probe and confirmed the aggregation behaviour of IL-AgNPs by appearing at a second peak around

550 nm, which is absent in the case of other metal ions. Moreover, the aggregation of IL-AgNPs also confirmed from yellow to

red colour change reflecting the Mn2+ ion induced aggregation of ILs capped AgNPs. It is no wonder that the interaction of

ions depends upon the Hard-Soft-Acid-Base (HSAB) theory and resulting in the aggregation behaviour is due to hard-hard

interaction of Mn2+ (hard acid) and oxygen atoms (hard base) presents in the ionic liquid. The synthesized ILs capped Ag NPs

probe is found to very highly sensitive and selective detection towards the Mn2+ ion with the detection limit of 1 µM under

optimized condition.

Keywords: Silver nanoparticles (AgNPs), Ionic liquids, Colorimetric detection, Metal ions, Maganese (II)

172

PP-3

Clinical approach towards the 21st centurypandemic Covid-19

Anwesha Bhattacharjee, Pathoja Maity, Souradipto Choudhuri, Suvroma Gupta*

Department of Biotechnology, Haldia Institute of Technology, Haldia, Purba Medinipur

Abstract:

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a zoonotic virus, is the causative agent of Covid-19.

Exposure to SARS-CoV-2 results varyingly from asymptomatic infection to respiratory distress and death. The first case being

reported in Wuhan, Hubei, China in november '19, SARS-CoV-2 has spread globally and was declared a pandemic on March

11, 2020, by WHO. More than 15 million people globally have been infected with around 619000 deaths. This enveloped, (+)

single-stranded RNA virus with a glycoprotein spike on the surface makes receptor mediated binding and cell entry during

infection. The roles of the spike protein in receptor binding and membrane fusion make it an attractive vaccine antigen. Tests

generally being performed are, Antibody test, RT-PCR test, isothermal nucleic acid amplification test etc. Following detection

of Covid-19, various clinical measures are being prescribed. No licensed vaccines preventing Covid-19 is available till date.

However, World Health Organisation (WHO) keeps track on around 140 candidate vaccines, of which around two dozen are

in various phases of human clinical trials.mRNA vaccines are also showing promising results. Many biotech firms are now

conducting phase ll/lll human trials, specifically ChAdNOx1nCoV-19 developed by the University of Oxford is going to be

tested for phase III trial. The whole world is waiting earnestly for a successful vaccine, preventing Covid-19 giving relief to the

humankind.

173

PP-4

STUDIES ON CHEMICAL TOXICITY OF ALUMINIUM ON THE SEED GERMINATION OF GREEN GRAM (Phaseolus

aureus) UNDER DIFFERENT CHEMICAL MILIEU

T.V.R.K. RAO AND ARJUN KUMAR

Department of Chemistry, M.H.M. College, Sonbarsa-852129, (Bihar), India. *Corresponding author Email Id: [email protected]

Abstract:

Aluminium is the third most abundant element in the earth’s crust. It comprises of about 8% of the outer 16 kms of the crust. It

is highly reactive metal and hence does not occur free in nature. It occurs chiefly as oxides and aluminosilicates. Though

aluminium is one of the most abundant metals in the biosphere, it does not have any useful biological function. It has been

rather proved to be toxic to human body. Aluminium has been implicated as a potential neurotoxic factor in different

pathological conditions.

Though aluminium is well protected from its bioavailability in nature by the formation of stable complex aluminosilicates,

nevertheless, in case of disbalances in ecosystems, such as acid rain or a decrease in soil pH by industrial effluents and

consequent water pollution, there may be leaching of aluminium ions and their consequent entry into the flora and fauna

through the aquatic systems. This evidently would lead to onward transmission of aluminium ions in the food chains of the

ecosystems and hence create toxicity. Aluminium may enter into the body through food, water and air-borne dust particles.It

may also enter into the food through edible plants grown on aluminium intoxicated soils. Higher bioavailability of aluminium

might manifest as ecotoxicity in general.

With the foregoing views in our mind, we have presently studied the chemical toxicity of aluminium on the seed germination of

green gram (Phaseolus aureus) under different chemical milie.

In-vivo germination and morphogenic aspects of plants born out of the seeds of green gram (Phaseolus aureus) exposed to

different chemical milieu (viz., Al3+ , as well as , Al3+ mixed with different inorganic and organic anions viz., fluoride,

phosphate, borate, silicate, malate, tartrate, citrate, malonate or succinate), has been studied. Effect of inorganic and organic

anions on the percentage germination and morphogenic aspects of the plants germinated (in soil) out of intoxicated seeds

has been studied.

Aluminium intoxicated seeds expressed severe toxicity in germination and plant growth in soil culture. Only 10% germination

was seen as compared to that of 100% in the control (non-toxicated) set. Presence of different inorganic and organic anions

along with Al3+ in the intoxication of seeds, could not exhibit much difference in the seed germination and plant growth as

compared to that of Al- only intoxication, except malate ions. The malate had a good amelioration effect on Al toxicity. 70%

germination and good plant growth was exhibited by these intoxicated (Al3+ + malate) seeds. Thus, malate seems to be a

good ameliorator of aluminium toxicity.

Keywords: Aluminium toxicity, Aluminium phytotoxicity, Aluminium agrotoxicity.

174

PP-5

Microwave Assisted Green Synthesis of Palladium Nanoparticles Using Guar Gum (Cyamopsis tetragonolobus):

Catalytic and antioxidant studies

C. Tejasree, Amrutham SantoshiKumari, and Puppala Veerasomaiah

Department of Chemistry, University College of Science, Osmania University, Hyderabad, 500007, India

Abstract:

Microwave assisted green synthesis of palladium nanoparticles was carried out using guar gum as reducing and stabilizing

agent. The reaction mixture was containing aqueous H2PdCl4 and aqueous solution of Guar Gum. The characterizations of

microwave assisted green synthesis of palladium nanoparticles were done using UV-Vis spectroscopy, Fourier transform

infrared spectroscopy, X-ray diffraction and Transmission Electron Microscopy techniques. When exposed to microwave

irradiation resulted yellow colored solution turned black color and broad continuous absorption spectra in the UV–visible

region which indicates the formation of palladium nanoparticles. FTIR spectra inferred that both hydroxyl and carbonyl groups

of guar gum were involved in the reduction and stabilization of palladium nanoparticles. X-ray diffraction pattern evidently

proves that the Pd nanoparticles formed in the microwave assisted green synthesis were crystalline in nature. It is also

cleared from the TEM image that the palladium nanoparticles were spherical and highly dispersed and there is no

aggregation of them. The catalytic properties of microwave assisted Pd nanoparticles was demonstrated for reduction of 4-

nitrophenol to 4-aminophenol in water and the rate constant of the reaction is found to be 0.01076 min-1. Microwave assisted

green synthesized of palladium nanoparticles were showed moderate radical scavenging activity and IC 50 value was

80.18µg/ml.

Keywords: Microwave Assisted; Green Synthesis; Palladium Nanoparticles; Guar Gum;Catalytic and antioxidant.

175

PP-6

Active particles and diffusion

Debajyoti Debnath and Pulak K. Ghosh

Department of Chemistry, Presidency University, 86/1 College Street, Kolkata 700073, India

Email-id: [email protected]

Abstract:

Self-propelled Janus particles are a class of micro-sized particles which can move by extracting energy from their surrounding

suspension medium. They possess two distinct faces with different chemical or physical properties [1, 2]. Due to self-

propulsion, Janus particles can diffuse almost an order of magnitude faster than normal Brownian particles [3]. A Janus

particle can tow a passive cargo by binding it to form a self-propelling dimer. Hydrodynamics interaction determine thestable

position of the cargo relative to the axis of the active dimer’s head.Based on the Langevin description,[4] we proposed a

general model which can describe dynamics of any type of self-propelled Janus particles. We show both analytically and as

well asnumerically [4] that diffusivity of Janus particles strongly depend on the model parameters. Janus particle coupled to a

cargo exhibits optimal towing capability only in the puller and pusher configurations, whereas in all other configurations it

drives a chiral dynamics, which suppresses the motility of the swimmer-cargo system. Our results would be useful to

synthesize Janus particles with desire transport properties for application in nano-technology and medical sciences.

References:

[1] H-R. Jiang et al., PRL, 2010, 105, 268230-1 - 268230-4.

[2] W. F. Paxton et al., Angew. Chem., Int. Ed.2006,45, 5420-5429.

[3] G. Volpe et al.,, Soft Matter, 2011,7, 8810-8815.

[4] D.Debnathet. al., Soft Matter,2016, 12, 2017-2024

[5]D.Debnathet. al.,J.chem.phys,2016, 145,191103

176

PP-7

Curcuminoids as inhibitors of 3CLpro towards extermination of COVID-19

Dikshita Dowerah and Ramesh Ch. Deka*

Department of Chemical Sciences, Tezpur University, Tezpur, Assam - 784028, India.


Abstract :

Density functional theory method combined with molecular docking has been used to understand interaction of curcuminoids

namely curcumin, demethoxycurcumin and bisdemethoxycurcumin with the main protease (3CLpro) of the novel corona virus

(SARS-COV-2). Analysis of the docking results revealed that all the three curcuminoids actively bind to the catalytic binding

domain of 3CLpro and this binding mode is further stabilized by the presence of additional hydrogen bonds exhibiting better

docking scores compared to the recently repurposed drugs Hydroxychloroquine, Chloroquine, Favipirapir etc. According to

the DFT results, bisdemethoxycurcumin was expected to have the highest chemical reactivity. When correlated with the

docking results, it was observed that bisdemethoxycurcumin in complex with 3CLpro gave the best docked score with the

highest number of H-bond interactions. A common trend observed in the results is that all the three curcuminoids formed H-

bond interactions with the same four amino acid residues Leu141, Gly143, Ser144 and Gln192 and sharing the same mode of

H-bond interaction i.e. interacting via the hydroxyl groups present on the aryl rings of the curcuminoids. However, all the three

curcuminoids underwent a conformational change from their typical linear to non-linear conformation thereby adjusting itself

at the substrate-binding pocket of 3CLpro. This study would help us to understand the ligand type properties of the

curcuminoids which can be further modified into better ligands on demand.

177

PP-8

Kinetics and mechanism of the oxidation of furfural by benzimidazolium dichromate

Reena Kalal and Dinesh Panday*

Department of Chemistry, M. L.S. University, Udaipur-313001, Rajasthan,India


Abstract:

The oxidation of furfural (2-furaldehyde), bybenzimidazoliumdichromate (BIDC) in dimethyl sulfoxide, leads to the formation of

2-furancarboxylic acid. The reaction is first order with respect to BIDC and hydrogen-ion. However, Michaelis-Menten type

kinetics was observed with respect to furfural. The formation constants of furfural-BIDC complexes and the rates of their

decomposition have been evaluated at different temperatures. Thermodynamic parameters of the complex formation and

activation parameters for the decomposition of the complexes have been calculated. The deuterium isotope effect observed

in the oxidation of glycolic acid (kH/kD= 6.23 at 298 K)indicated an α-C-H bond cleavage in the rate-determiningstep. The

reaction has been studied in 19organic solvents. The analysis of the solvent effect showed that therole of cation-solvation is

major.Based on the kinetic data, analysis of the solvent effect and the result ofsome non-kinetic parameters, a mechanism

involving rate-determining oxidative decomposition of the complex, through hydride-ion transfer via a cyclic transition state, to

give the corresponding product is suggested.

Overall reaction:

3 CHO+ 2Cr2O7-2 + 22H+→3 COOH + 2Cr+6+ 2Cr+3+ 11H2O

O O

(2-furaldehyde) (2-furoic acid)

References

1. Q. H. Meng,J. C. Feng, N. S. Bian, B. Leu and C. C. Li , Synth. Commun.

1998, 28, 1097.

2. R. Kumar, D. Pandey and S. Kothari, Oxid. Commun., 2014,37, 424

3. H. Saunte,G.S.Chaubey and M.K. Mahanti,Croat. Chem. Acta., 2010, 83, 291.

178

PP-9

Solvent - free condition Ionic - liquid - catalyzed green synthesis of

substituted (morpholinomethyl) -2H-chromen-2-one

Jagadeesh Kumar Ega1*, Kumara Swamy Jella2

1*Department of Chemistry, Chaitanya Deemed to be University, Hanamkonda, Telangana state.

2Department of Chemistry, R.D PG College, Hanamkonda, Telangana [email protected]

Abstract:

A mixture of Phenols (1a-d), Malonic acid (0.5 mol) (2), Bronsted acidic ionic liquids (3) by Pechmann condensation at room

temperature to yield 4- hydroxyl-2H- chromen-2-one (4) by means of protocols under green conditions from step-1. 5,8-

Dimethyl-4-hydroxycoumarin, secondary amine (6) , formaldehyde (7) and Bronsted basic ionic liquids (5) were added under

oil bath about 80 0C followed by crude solid was collected by filtration. The obtained solid 4- hydroxyl-3- (morpholinomethyl)-

2H- chromen-2-one (8a-d) via one pot three component reaction under solvent free conditions in good to excellent yields. The

catalysts are eco-friendly and easily prepared, stored and recovered without loss of activity shown in Scheme-1.

Keywords— Chromens, Ionic Liquids, Solvent free condition, Pechmann condensation.

179

PP-10

A Short Review on Mining Activities Considering Sustainability and National Growth

Dr. Suparna Rana*

School of Applied Science and Humanities, Haldia Institute of Technology, Haldia, Purba Medinipur, 721657, WB.


Dr. Kalyan Kumar Rana*

Department of Chemistry, Tamralipta Mahavidyalaya, Tamluk, Purba Medinipur, 721636, WB.


Abstract:

Mining plays a vital role in national economic development and on the contrary, mining undesirably impact our environment.

The environmental problems caused by mining activities are land degradation, disposal of mining, deforestation, washing

discards, water pollution, discharge of mine water, acid mine drainage, coal washing operation, air pollution due to release of

gases and dust, noise pollution, mine fires, damage to forest flora and fauna, wildlife habitat destruction and occupational

health hazards. The impact of mining on surface and groundwater are due to spill erosion, sedimentation, acid mine drainage,

lowering of water table, subsidence, disturbance on hydrological cycle and rainfall.The environmental and health impacts of

mining on surrounding communities has been a major concern to governments, the general public and stakeholder

organizations and individuals. Through every phase of the mining activity, extensive man-made damage is caused to the

environment. It is, therefore, very important to consider the social impacts of mining activities on the surrounding socio-

economic environment, affected marginalised individuals and communities. Of course, the impacts of mining are many,

sometimes unavoidable, but rather, possible to mitigate with appropriate regulation, enforcement and planning, imposing

accountability for local environmental and health quality, so that mining industry can turn out to be a sustainable one. For any

plan to be effective, people from nearby communities must be involved in all decision-making. A responsible plan should

include:

• an Environmental Impact Assessment (EIA) carried out with the participation of the nearby communities.

• social services such as health clinics and schools, safe drinking water, sanitation and other necessary facilities.

• long-term, comprehensive health care for miners, their families and effected communities.

• a plan for closing mines, restoring land, providing job training and safe, sustainable work for the jobless workers of the

mines.

180

PP-11

ANTI-DIABETIC ACTIVITY OF SOME HETEROCYCLIC COMPOUNDS: A REVIEW

Nirupma Singh

Associate Professor, Malla Reddy College of Engineering and Technology, Dhulapally, Hyderabad, Telangana 500014.E-

mail: [email protected]

Abstract:

Diabetes is a metabolic disorder resulting from a defect in insulin secretion, insulin action, or both. Insulin deficiency in turn

leads to chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism. As the disease progresses

tissue or vascular damage ensues leading to severe post-diabetic complications such as retinopathy, neuropathy,

nephropathy, cardiovascular complications, and ulceration. Thus, diabetes leads to wide range of heterogeneous diseases. In

1980, WHO proposed two major classes of diabetes mellitus and named them Type-1 and Type-2 diabetes. Since last two

decades, majority of pharmaceutical companies and various leading research institutions are intensely researching for novel

and effective, Type-2 Anti-diabetic drug substance. As a result numbers of anti-hypoglycaemic agents are available in market

with different chemical class like Sulfonylureas (Glimepiride), Méglitinides (Natéglinide), Biguanides (Metformine), 2,4-

thiazolidinedione (Pioglitazone), Alpha-glucosidases inhibitors (Voglibose), Dipeptidyl- peptidase-4 (DPP-4) inhibitors

(Sitagliptin), Glucagon-like peptide-1 (GLP-1) agonist (Liraglutide), and most recent one is Sodium glucose co-transporter 2

inhibitors (SGLT2) (Canaglifozine).

181

PP-12

Theoretical study on the adsorption of NO and O2 on bimetallic AunPt3-n (n=0-3) trimer for understanding the catalytic oxidation of NO

Nishant Biswakarma and Ramesh Chandra Deka

Department of Chemical Sciences, Tezpur University, Tezpur, Assam - 784 028, India


Abstract

Oxides of Nitrogen such as NO, NO2 and N2O are the primary source of air pollution, produced due to the incomplete

combustion of the fossil fuels. Among these, escalation of Nitrogen monoxide (NO) in the atmosphere causes major

environmental problems. In various approaches such as three way catalysis (TWC), NOx storage reduction (NSR) and

Selective catalytic reduction (SCR), the oxidation of NO to NO2 is considered to be the most important step for abatement of

NOx. Therefore, it is essential to prepare or design a suitable catalytic system to understand the oxidation of NO into NO2 at

the molecular level. A comprehensive study on the adsorption of NO and O2 has been done on bimetallic AunPt3-n (n=0-3)

trimer using Density Functional Theory (DFT). M06L functional along with def2QZVPP basis set has been chosen to predict

the correct stability order. Binding energies has been calculated to understand the stability of the adsorbed species. Among

the trimers, Au3 has the least binding energy whereas AuPt2 has the best binding energy for both NO and O2. Our calculations

show that Pt-sites are found to be the preferred site for adsorption than Au-site.

182

PP-13

1-Napthol-4-Sulfonate Functionalized Citrate Stabilized Silver Nanoparticles for

Fluorescent Turn-off/on Sensing of Aliphatic Polyamines

Nishithendu Bikash Nandi, Shaktibrata Roy, Subanti Das, Tarun Kumar Misra*



Abstract:

Development of nanosensor probe for recognition of aliphatic polyamines (PAs) in aqueous solution is highly challenging due

to lack of chromophoric or fluorophoric groups.1-3 In the presentwork, 1-naphthol-4-sulfonic (1Np4S) acid functionalized citrate

stabilized spherical silver nanoparticle (cit-SNPs, d = 6.3 nm, σ = 1.23) were synthesized. Emphasis is placed on surface

Plasmon resonance band in the UV-vis region of functionalised cit-SNPs.1Nap4S is a fluorescent active species as it shows

an emission peak (λem) at 434 nm. However, when 1Np4S species get adsorbed onto the surfaces of cit-SNPs, their

fluorescence activity is quenched by the particles. It is evident as the adsorption constant (Kad) of 1Np4S is quite high ranging,

6.23 x108 M-1 - 16.47 x108 M-1.Such functionalized cit-SNPs were then used as nanoprobe for spectrofluorometric sensing of

polyamines: ethylenediamine (EDA) and diethylenetriamine (DETA), as mimic of biogenic amines (BGAs). The calibration

curves of EDA and DETA are straight lines with concentration ranges, (5.9 mM – 52.1 mM) and (3.9 mM – 50.6 mM),

respectively. The result indicates that the sensitivity of evaluating DETA is higher than that of EDA.Thus, the 1Np4S

functionalized cit-SNPs could be treated as potential nanoprobe for evaluating PAs as well as BGAs.

Fig.1. (A,B) Excitation and Emission spectral changes during functionalization of cit-SNPs with 1Np4S; (B,C) Emission

spectral changes of 1Np4S-cit-SNPs in the presence of EDA and DETA

References

1. B. Paz-Pino, C. Pérez-Lamela, B. Cancho-Grande, J. Simal-Gándara, Food Addit Contam., 2003, 20, 308–312.

2. K. Saito, M. Horie, N. Nose, K. Nakagomi and H. Nakazawa, Anal. Sci., 1992, 8, 675–680.

3. F. Crea, A. De Robertis and S. Sammartano, J Chromatogr. Sci., 2007, 43, 342-347.

OH

SO3H

1

2

3

45

6

7

89

10

1-Naphthol-4-sulfonic acid (1Np4S)

183

PP-14

Coordination Chemistry of Click Derived 1,2,3-Triazolyl Ligand

Dr. Pampa Guha

Department of Chemistry, City College, 102/1, Raja Rammohan Sarani, Kolkata,

West Bengal 700009, India

Abstract:

Cu(II) salt catalysed azide-alkyne cycloaddition (CuAAC) reaction, (Click chemistry) provides heterocyclic 1,4-disubstituted-

1,2,3-triazole ligand which contain various nitrogen-based Lewis basic sites and can coordinate to metal salts ensuing

interesting complexes. A mechanistic model will be discussed to account for the high reactivity of chelating azides (organic

azides capable of chelation-assisted metal coordination at the alkylated azido nitrogen position) and copper(II) acetate in

such cycloaddition (AAC) reactions. The versatility of 1,2,3-triazolyl-containing polyaza ligands in forming metal coordination

complexes of a rich structural diversity and interesting magnetic properties will also be demonstrated.

Reference –

1. Guha, P. M.; Phan, H.,. Kinyon, J. S; Brotherton, W. S.; Sreenath; K.; Simmons, J. T.; Wang, Z.; Clark, R. J.; Dalal, N. S.;

Shatruk, M. and Zhu, L. Inorg. Chem. 2012, 51, 3465−3477

2. Kuang, G.-C.; Guha, P. M.; Brotherton, W. S.; Simmons, J. T.; Stankee, L. A.; Nguyen, B. T.; Clark, R. J.; Zhu, L. J. Am.

Chem. Soc. 2011, 133, 13984−14001.

184

PP-15

Kinetic and Mechanistic Studies on Pt(II) and Pd(II) Complexes with Bio-active

Ligands at Physiological pH

Parnajyoti Karmakar

Department of Chemistry, GGDC at Kalna-I, Purba Bardhaman - 713405, West Bengal, India


Abstract

The kinetics of complex formation reactions of [Pt(bipy)(X-X)] (bipy = 2,2´-bipyridine) and [Pd(dap)(X-X)] (dap = 1,3-

diaminopropane) complexes with different ‘S’ containing chelating nucleophiles have been studied. The effect of the

nucleophilicity of the ligands on the above mentioned complexes were studied under pseudo-first-order conditions as a

function of nucleophile concentration, and temperature using stopped-flow technique. Two consecutive reaction steps, of

which the initial step depends on the nucleophile concentration, followed by a ligand concentration independent chelate ring

closure step were observed. The mechanism of the substitution reactions is associative in nature as supported by the large

and negative values of ∆S≠.The products of the reactions have been ascertained by IR and ESI-mass spectroscopic

analyses. The relative reactivity order of different probable Pd(II)/Pt(II)-amine antitumour complexes towards bio-active

nucleophiles, have been discussed.

Keywords: Kinetics; Mechanism; Associative; Pt(II); Pd(II); Bioactive

185

PP-16

Synthesis, characterisation of a pyridinyl thiazole ligand with hydrazone moiety and its cobalt(III), manganese(II) and

nickel(II) complexes: In vitro anticancer and molecular docking study

Pradip Beraa†, ChandanaPramanika‡, Basudev Mandala§and Pulakesh Bera*a

aPost Graduate Department of Chemistry, Panskura Banamali College (Vidyasagar University), Panskura R.S, Midnapore

(East), West Bengal, India–721152. Email: [email protected]

Abstract:

The ligand 4-(4-methoxy phenyl)-2-(2-(1-pyridine-2-yl)ethylidene) hydrazinyl)thiazole bromide (pytH·Br) and its cobalt(II),

manganese(II) and nickel(II) complexes have been synthesized and characterized through single X-ray crystallography and

spectroscopy. The physic-chemical analyses of the complexes confirmed the composition [Co(pyt)2]ClO4 (1),

[Mn(pyt)2](ClO4)2 (2) and [Ni(pyt)2](ClO4)2 (3) for cobalt, manganese and nickel respectively. The pytH·Br crystallizes in a

space group Pbca in a nearly planar structure and the crystal structures of complexes have octahedral geometry with space

group C2/c for 1 and 2 and P-1 for 3. The ligand pytH·Br behaves as neutral N,N,N tridentate donor. Solution magnetic

susceptibility measurement of 1 by modified

Evan’s method confirms the low spin

diamagnetic nature of the cobalt (III) complex.

New compounds are screened for their

anticancer studies against U-937 human

monocytic cells shows IC50 values 4.374 (for

pytH.Br), 5.583 (for 1), 0.3976 (for 2) and

11.63 µM (for 3). Based on the result of LDH

and PARP cleavage assay, the compound

pytH.Br, 1 and 2 follow the apoptosis mode of

cell death at equivalent concentration of IC50.

Free binding energy of the compounds with

DNA is evaluated from docking study. The

docking result shows that the compounds are

groove binder with DNA base pair.

186

PP-17

Chiral Induction on the Ultrafast Event of Excited State Proton Transfer Can Probe Its Mechanism

Pratyush Ghosh, Aritra Das and Pratik Sen*

Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur – 208 016, UP, India

E-mail: [email protected] (PG); [email protected] (PS)

Abstract:

When protonic motion is explained as a purely quantum mechanical phenomenon, two extreme situations can be visualized

as either the adiabatic or the nonadiabatic limit of proton transfer (PT). Strong orbital coupling between the donor and the

acceptor pair in the proton transfer step drives PT mechanism in the adiabatic limit whereas in nonadiabatic limit PT

predominantly occurs through tunneling. We propose a unique way to experimentally observe the adiabaticity of PT by

inducing chirality in the reaction coordinate of excited state proton transfer (ESPT). We successfully established the existence

of prominent role of diastereomerism in the ESPT by both steady state and femtosecond time-resolved transient absorption

spectroscopic measurements in the adiabatic limit of proton transfer processes.

Reference:

[1] P. Ghosh, A. Das, P. Sen, ChemistrySelect 2019, 4, 12197– 12201

[2] C. Borgis, T. Hynes, Chem. Phys. Lett. 1989, 162, 19–26

187

PP-18

EVALUATION OF WATER QUALITY AND TRACES ELEMENT OF OPENING CAST STONE CHIPS MINES

Baby Mandal1 ([email protected])

Dr. C.S.Azad2 1. Research Scholar SKMU DUMKA

2. Assistant professor Dept. of Chemistry Deoghar College, Deoghar Jharkhand India. ABSTRACT Present study is focused on the assessment of water quality and trace of element of open cast stone chips mines of

Maheshpur, and Amarapara block of Pakur district, Jharkhand India. Pakur district is famous for its black stones. Mining is

done by open cast and there is huge deposition of water in these mines. Open cast mines water is used by the nearby people

for various purposes. These mines water many contain various types of impurities in its due to dust and drainage which

contains many suspended pollutants with inorganic and organic residue with several toxic, heavy metal ions. The main

objective is to assess the quality of water and reduce to impurity level. Samples were collected from these open cast mines in

three different samples for two consecutive years in 2017 and 2018. The water samples were analysed for different

parameter as per standard procedure analysed data shows that there are some impurities present in it, and this water can’t

be used for drinking purposes but can be used for irrigation and other domestic purposes.

188

PP-19

Theoretical study of CO2 adsorption in a polymeric polyimide membrane using

molecular dynamics simulation

Dr. Projesh Kumar Roy

Department of Physics, Indian Institute of Science, Bangalore

Abstract:

Polymeric polyimide membranes are widely accepted as good alternatives for CO2 adsorption from fluegas, as the process is

easy to handle and environmentally friendly. Carbon Molecular Sieve (CMS) membranes are obtained via pyrolysis of such

polymeric membranes, which also show high solubility, permeability, and selectivity towards CO2 molecules [1]. In the case of

6FDA/BPDA-DAM polymer membrane, the cause of high perm-selectivity towards CO2 is attributed to a rich distribution of

ultramicropores and micropores. To understand the underlying statistics of the pores and their effects on the CO2 adsorption

process, an all-atom Dreiding [2] based force-field is prepared to model this polymer. The force-field is parameterized with the

help of dihedral scans. A compression-decompression step, followed by repeated annealing steps are performed using

molecular dynamics methods, to obtain the +optimum density at room temperature and pressure. The glass transition

temperature and porosity of the polymer are also calculated, which matched well with the experimental values. The atomistic

distribution along the wall of the pores is calculated using an analytical free-volume calculation method[3].The pore-size

distribution is also calculated, which showed a bi-modal distribution. The solubility of the CO2 molecules inside the polymer

matrix is calculated using grand canonical Monte Carlo methods, which showed a high affinity towards CO2 molecules. The

swelling effects are also studied using a coupled NPT/NVT method in LAMMPS [4].

References:

[1] K. M. Steel, W. J. Koros, Carbon 43 (2005) 1843 – 1856

[2] S. L. Mayo, B. D. Olafson, W. A. Goddard, The Journal of Physical Chemistry 94 (1990) 8897–

8909

[3] G. Zamanakos, 2002. PhD Thesis, California Institute of Technology, Pasadena, California.

[4] P. K. Roy et al., Journal of Membrane Science 613 (2020) 118377.

189

PP-20

Fluoride decontamination using hybrid materials

S.K.Swain1, Tanushree Patnaik2, R.K.Dey3

Sandhya Sayantini Mohantyc, S. P. Nandad, P. C. Patnaike, R.K. Deyb,f*

1Central Instrumentation Facilities, Birla Institute of Technology, Ranchi-835 215, India

2Department of Chemistry, Stewart Science College, Cuttack-753 001, Odisha, India

3Department of Chemistry, Central University of Jharkhand, Ranchi-835 205, India

ABSTRACT

Presence of excess fluoride in drinking water is responsible for various fluoride related diseases in community. The WHO

prescribed limit for fluoride in drinking water is 1.5 mg L-1. Ground water contributes nearly 80% of the drinking water

requirement all over the world. Different processes as well as materials have been developed for removal of fluoride from

drinking water/water bodies. The major techniques/methods include chemical reaction, adsorption, osmosis, and ion-

exchange among which adsorption is the operationally most simple, cost effective and sustainable for use among community.

Although a number of adsorbents with appreciable defluoridating capacity have been developed by various researchers/group

of researchers, only a few are successful at implementation level due to various reasons[1,2]. The present investigation

reports the decontamination of fluoride using polymeric blends of mixed oxide [Fe(III)-Zr(IV), Al(III)-Ce(IV) and Al(III)-La(III)] –

alginate. The material properties were studied using various instrumentation techniques. The fluoride removal properties were

evaluated in a batch adsorption technique. The positive value of ∆Ho indicates increasing randomness during the sorption

process. The Al(III) – Ln(III) could able to show better adsorption characteristics where nearly 97% of fluoride could be

removed at pH 7.0. In almost all the cases, desorption of fluoride is quite efficient with at pH 12.0 (nearly 88% of material

could be easily desorbed by using 1% NaOH solution) Reuse capacity of all materials were appreciable (observe decrease

97% to 60% nearly in 7th cycle of operation) that supports the further development of material for commercial application and

a comparative aspect was also drawn with available commercial adsorbents.

Key words: Defluoridation, Adsorption isotherms, Hybrid material, Kinetic models.

*Corresponding author: [email protected]

References:

[1]. A. Bhatnagar, E. Kumar, M. Sillanpaa, Fluoride removal from water by adsorption – a review, Chem. Engg. J., 171 (2011)

811- 840.

[2]. N. Viswanathan, S. Meenakshi, Selective fluoride adsorption by a hydrotalcite/chitosan composite, Appl. Clay Sci., 48

(2010) 607 – 611.

190

PP-21

Effect of various Metal Ions on Photocatalytic Degradation of Reactive Blue-19 by TiO2 Nanoparticles

Rakhi goyal1, D kishore2

[email protected]

Abstract:

Present study deals with the photocatalytic degradation of Reactive Blue-19 dye in presence of TiO2 nanoparticles. The

photocatalytic activity investigation has been carried out by performing the decomposition of Reactive Blue-19 dye under UV

illumination over as- synthesized TiO2 Nanoparticles. In this work the progress of the reaction has been studied kinetically by

measuring absorbance of the reaction mixture at various time intervals using Spectrophotometer. The control experiments

have also been performed in different conditions. Control experiments confirm the necessity of light, semiconductor catalyst

and oxygen to follow the photocatalytic path to proceed the photobleaching of dye. Kinetic analysis of degradation indicates

that the degradation follows the first order kinetics. Effect of various metal ions (Zn+2, Fe+2, Cu +2) has also been studied.

result ravels that addition of various metal ions reduce the photocatalytic efficiency of the Reactive Blue-19dye.

Keywords: Photocatalytic degradation, Reactive Blue-19, TiO2 Nanoparticles

191

PP-22

Boron Doped Graphene Quantum Dots for Bio-sensing of Acetylcholine Esterase Enzyme Inhibition.

Reena Suryawanshi*

*School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010


Abstract:

Doping graphene quantum dots (GQDs) with heteroatom have received tremendous attention due to optical properties and

stable photoluminescence over the conventional quantum dots. Herein, we report a facile bottom up method for synthesis of

boron doped graphene quantum dots (BGQDs). The characterization of BGQDs were done by UV-Vis, fluorescence and

FTIR spectroscopic techniques. The synthesized BGQDs possess enhanced fluorescence. The stable fluorescence of

BGQDs indicates that they can be used as biosensor for clinical and medical studies for imaging, sensing and detection. FTIR

spectra show presence of different functional group and effective doping of boron on the surface of GQDs. BGQDs shows

remarkable physicochemical, electronic properties and photoluminescence. The effect of pH has also been studied which

suggested that on increasing pH the particle size distribution also increases.

192

PP-23

INOVATIVE DEVLOPMENT IN CHEMISTRY & METERIAL SCIENCES

Sayantani Barma

B.Sc. in Chemistry, Second Year (4th semester), Acharya Prafulla Chandra Roy Government College, Siliguri,


Abstract:-

Physics might show us the universe’s basic to build the blocks, Biology is the universes of science that studies life & living,

but Chemistry is where all the fun happens in between. We have come across thousand of reactions which are happening in

every second from stars to human spines, from gold to germs, but it’s the ones we’ve mastered with our hands, in labs,

factories even in our daily kitchens, what we are today. Advances in inorganic chemistry presents timely and informative

summaries of recent progress from bioinorganic to solid state, recently they develop from theoretical oriented supramolecular

chemistry to the quest for accurate calculations of spin states in transition metal. The organic chemistry researches involve

the synthesis of various organic molecules, organometallic chemistry, catalysis, synthesis of reactions, mechanisms of

fundamental studies, non-natural products with biological properties, and spectroscopy of compounds designs of drugs etc.

Nowadays the material science is an interdisciplinary field involving matter & its application to science and engineering mostly

our real world to its properties with natural science phenomena from micro to macro. The scientists gave support of the

experiment of the material which submitted by chemists like ceramics, polymers, synthesis, daily uses of devices.

193

PP-24

The Forbidden Radiative Transition with ∆� = ±�

Shampa Bhattacharyyaa* & Dilip K. Bhattacharyyab

aDepartment of Chemistry, Hansraj College, University of Delhi

bDepartment of Chemistry, Jadavpur University, Calcutta, India

e-mail: [email protected]

Abstract

A theoretical calculation is performed to find the transition probabilities per unit time hence lifetime for spin forbidden radiative

transition. The spin forbidden radiative process can further be divided into two categories: 1. Symmetry allowed but spin

forbidden (g→u) or u→g) 2. Symmetry as well as spin both forbidden (u→u and g→ g). Theoperators are used for both the

categories are spin dependent electric and magnetic multipole operators. The spin dependent electric dipole (SE1) and

magnetic quadrupole (SM2) operators connect the two states with different symmetry i.e. (u→g or g→u) and S→T. On the

other hand spin dependent electric quadrupole (SE2) , magnetic dipole (SM1) operators connect two states with same

symmetry i.e.(u→u and ,g→ g) and S→T. Operators are expressed as tensor operators and transition probabilities are

calculated by using Racah algebra. The expression for transition probability between initial state (i) and final state (f) is given

below:

� →"# = $$( &'2Пħ)

"+ ,-./⟨1"|3(45, 7)|18⟩|�

:

Both the wave functions are written according to Born-Oppenheimer approximation as a product of vibrational and coupled

electronic- rotational and spin wave functions. The operator is converted from space fixed to molecular fixed by an inverse

rotational transformation to have both of them in molecular fixed frame work.

194

PP-25

Molecular Hydrogen adsorption on metal ion-decorated Sulflower

Soumadip Banerjee

Senior Research Fellow (School of Mathematical and Computational Sciences; IACS-Kolkata)

Email: [email protected]; [email protected]

Abstract:

The non-renewable nature of fossil fuels has ignited the quest of sustainable energy resources. Hydrogen contains highest

energy density per unit mass and produces non-pollutant byproducts during oxidation, making it a clean fuel but problem lies

in its safe storage. Surface based hydrogen storage materials have favorable surface area, adsorption enthalpy for fruitful

adsorption. It has been seen that dopants can enhance the range of interaction between Hydrogen molecules with the

surface. In the present work, we have computationally explored the possibility of molecular hydrogen adsorption on metal ion-

decorated “First Generation” Sulflower, a polycyclic hydrocarbon, using DFT/ω-B97XD method and 6-311++G(d,p) basis. The

central ring is doped by a single di-positive ion followed by two di-positive metal ions on the peripheral thiophene rings (same

face as well as opposite face). Between the single ion-decorated systems, Mg2+-decked complex bind four H2 molecules

where its Be2+ counterpart can bind six. Each of the double-ion-decorated

systems is found to adsorb ten H2 molecules. The charge transfer interaction

influences the binding energies of the H2 molecules to the charged complexes.

Be2+-decked systems have been emerged as the best candidate for reversible

hydrogen storage due to its optimal binding energy and maximum hydrogen

binding ability. Our belief is to motivate future researchers in developing efficient

hydrogen storage materials.

References:

• S. J. Kolmann, B. Chan and M. J. T. Jordan, Chemical Physics Letters, 2008, 467, 126–130

• K. Srinivasu, K. R. S. Chandrakumar and S. K. Ghosh, ChemPhysChem, 2008, 10, 5832-5839.

• T. Banu, D.Ghosh, T. Debnath, K. Sen and A. K. Das, RSC Advances, 2015, 5, 57647-57656.

• Chernichenko, K. Y.; Sumerin, V. V.; Shpanchenko, R. V.;Balenkova, E. S.;Nenajdenko, V. G, Angewandte Chemie.

Int.Ed.,2006, 45, 7367-7370

• Datta, A.; Pati, S. K. Journal of the American Chemical Society, 2007,111, 4487-4490

195

PP-26

IonicLiquid-Functionalized Silver Nanoparticle for Spectrophotometric Determination of L-Cysteine in Milk Samples

Sushama Sahuaand Kallol K. Ghosha*

aSchool of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur-492010, C.G.

[email protected]

Abstract:

A simple and selective colorimetric method based on ionic liquid functionalized silvernanoparticles (ILs-AgNPs) has been

established for selective determination of L-cysteine (Cys) in milksamples. The NPs was directly synthesized by simple co-

reduction method and functionalization was carried out to prevent self-induced aggregation of particles. The ILs-AgNPs has

been characterized by UV-Vis, fourier transform infra-red (FT-IR), transmission electron microscope (TEM) and dynamic light

scattering (DLS) techniques. The binding and significant thermodynamic parameters for interaction of ILs-AgNPs with Cys

have also been investigated at the temperature of 295, 298 and 305 K using UV-Vis. The result shows that Cys could interact

strongly with ILs-AgNPs at relatively higher temperature.In addition, the developedILs-AgNPs based colorimetric sensor was

used to test the Cys in milk samples collected from different sources. The linearity range of Cys was obtained as 10-100 ng

mL-1 with lower limit of detection (S/N = 3) of4.72 ng mL-1.

196

PP-27

Mechanistic Insight into the Enhancement of Reactivity of Li+@C60 Compared to Neutral C60 towards Different

Fundamental Reactions: A DFT Approach

Dr. Tanay Debnath

Research Associate, Indian Association for the Cultivation of Science,

Jadavpur, Kol-700032, [email protected]

Abstract

Ih fullerene has two types of unsaturated bonds generated from the fusion of two types of rings; one is formed through two six

memberred fused rings, designated as 6-6_double bond and another is formed through six and five memberred fused rings,

designated as 6-5_double bond. From our theoretical study, it is revealed that the reactivity of the aforesaid double bonds

differ from each other. Further we have also confirmed that encapsulation of Li+ perturb the reactivity of both the double

bonds. We have computationally explored three fundamental reactions: Hydrogenation (reagent: NH3BH3), hydrolysis

(reagent: double water) and Diels-Alder (reagent: butadiene) and in each case we have observed that 6-6_double bond is

more reactive that that of 6-5_double bond. On encapsulation of Li+ inside the fullerene cavity the barrier heights of the

aforementioned reactions significantly decrease indicating the increment of the feasibility of the reactions. We have found that

encapsulation of Li+ inside C60 cavity decreases the HOMO-LUMO gap significantly, which is probably one of the principle

reasons for the enhancement of the reactivity of the Li+@C60 compared to neutral C60.

Reference:

1. Mechanistic insight into the enhancement of reactivity of C60+ in comparison with neutral C60 and EMFs towards different

fundamental reactions: a DFT approach

197

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Iron Complexes anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the

Synthesis of Dihydroquinazoline-Based Compounds

Tanmay Chattopadhyay

Assistant Professor

Department of Chemistry, Diamond Harbour Women’s University, Diamond Harbour Road,

Sarisha, South 24 Pgs, 743368

E-mail:[email protected] (T.C)

ABSTRACT

In this work a green, sustainable and efficient protocol for the syntheses of dihydroquinazoline derivatives is proposed. Three

Schiff base complexes of iron containing the ligand (2,2-dimethylpropane-1,3

diyl)bis(azanylylidene))bis(methanylylidene))bis(2,4-Xphenol), where X= Cl (complex 1) / Br (complex 2) / I (complex 3) were

synthesized, characterized and used in the desired syntheses. Complex 1 excelled as a catalyst closely followed by

complexes 2 and 3. DFT calculations helped in rationalising the role of halide substituent in the ligand backbone as a relevant

factor in the catalytic superiority of complex 1 over complexes 2 and 3 for the synthesis of the dihydroquinazoline derivatives.

Finally, to facilitate catalyst recoverability and reusability, complex 1 was immobilized on GO@Fe3O4@APTES (GO =

Graphene Oxide; APTES = 3-aminopropyltriethoxysilane) to generate GO@Fe3O4@APTES@FeL1 (GOTESFe). GOTESFe

was thoroughly characterized through different techniques, and efficiently used for the synthesis of dihydroquinazoline

derivatives. GOTESFe could be magnetically recovered and reused up to five cycles without compromising its catalytic

efficiency.

198

PP-29

Recent Advancement of Chiral Hydroxamic Acids in Asymmetric CatalyticSynthesis

Kiran Thakur*, Vandana Relwani, Santosh Singh Thakur

Govt. Pataleshwar College, Masturi, Bilaspur (C. G.), Govt. M.L.S.College, Seepat, Bilaspur (C. G.), Guru Ghasidas Central

University, Bilaspur (C. G.)

Abstract:

Chiral hydroxamic acids were reported as a chiral catalyst coupled with various transition metals, for asymmetric catalytic

synthesis. There were many reports on enantioselective epoxidation reaction using Vanadium-chiral hydrroxamic acid

complex as a catalyst. Various design and development of chiral hydroxamic acids have been made to improve the

enentioselectivities of the product. In this review paper the series of recent development of chiral hydroxamic acid as a ligand

for catalysis during asymmetric transformations will be discussed elaborately.

Keywords:-Chirality, catalysis, hydroxamic acid, asymmetric synthesis.

199

PP-30

Aggregation of lysozyme in presence of mixed bilayer of POPC and POPG

Ms. Shahee Islam

Department of Chemistry, University of Calcutta, Kolkata-700 009.


Abstract:

Understanding the molecular mechanisms by which amyloidogenic proteins interact with membranes is a challenging

research. Amyloid-accumulates from many human diseases has been observed to contain membrane lipids. In this work, we

have used coarse grained molecular dynamics (CG MD) simulation to inspect hen egg white lysozyme (HEWL) aggregation

and membrane association in presence of mixed bilayer POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) and

POPG (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylglycerol). It was observed that at first two HEWLs were interacting with

membrane individually but when the two proteins come close to each other they prefer to form aggregate and after

aggregation the aggregated system started to interact with the membrane. Our results indicate that membrane helps in

protein aggregation and there was structural rearrangement of thes lipid was found along the course of aggregation. We

believe our study will provide considerable insights to lysozyme aggregation in presence of membrane environment.

200

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CHEMICALS IN FOODS

AMIT KUMAR DAS UG CHEMISTRY (B.SC 3rd YEAR) FAKIR CHAND COLLEGE,

DIAMONDHARBOUR, UNIVERSITY OF CALCUTTA Email:[email protected]

ABSTRACT:

Chemicals are essential building blocks for everything in the world.All living matter, including people, animals and plants,

consists of chemicals. All food is made up of chemical substances. Chemicals in food are largely harmless and often

desirable- for example, nutrients such as carbohydrates, protein, fat and fibre are composed of chemical compound.

Chemicals can however, have a variety of toxicological properties, some of which might cause effects in humans and

animals. Usually, these are not harmful unless we are exposed to them for a long time and at high levels.This scientific advice

informs decision – makers who regulate the use of chemicals in food or seek to limit their presence in the food chain.

Chemical substances can play an important role in food production and preservation. Food additives can, for example,

prolong the shelf life of foods; others, such as colours, can make food more attractive. Flavourings are used to make food

tastier. Food supplements are used as sources of nutrition.

Some plants and fungi naturally produce toxins that can contaminate crops and be a concern for human and animal’s health.

Peoplecan also be exposed to both naturally occurring and man- made chemical compounds present at various levels in the

environment,e.g. in soil , water and the atmosphere. Examples include industrial pollutants such as dioxins and PCBs. A

variety of metals can be present naturally in the environment or as a result of human activity

.

201

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CHARACTERIZATION AND SPECTRAL ANALYSIS OF NICKEL(II), COBALT(II) AND COPPER(II) COMPLEX WITH

LEWIS BASES

Birendra Kumar1, Praveen Kumar Singh2, Rekha Rani2, Dayanand Prasad2, Sunny Kumar2 and Shivadhar Sharma2

1 = Department of Chemistry,, J J College,Gaya

2 = University Department of Chemistry, M. U. Bodh-Gaya.

ABSTRACT Co(II), Ni(II) and Cu(II) complexes of dihydrobis(1-pyrazolyl)borate and their adducts with some Lewis bases have been

prepared and characterized by elemental analyses, IR and UV–vis spectroscopic techniques. The adducts were either 1:1 or

1:2 complexes depending on whether the Lewis base was bidentate or monodentate. The results indicate that adducts with

1,10-phenanthroline were the most stable due to the chelating effect of the Lewis base. The order of reactivity of the

complexes was determined to be Ni(H2BPz2)2> Cu(H2BPz2)2> Co(H2BPz2)2> Co(H2BPz2)2. The effects of various solvents

(i.e., benzene, chloroform and DMF) on the structure were studied. The solvents appear to minimally affect the visible spectra

of Co(H2BPz2)2. The Ni(H2BPz2)2 and Cu(H2BPz2)2 adducts exhibit a four-coordinate structure in non-coordinating solvents.

However, in coordinating solvents, such as DMF, the adducts exhibit six-coordinate structures.

KEYWORDS: Transition metal Complex, Scorpionate, Lewis bases, Spectroscopic analysis.

202

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Adsorbent based methods for the removal of toxic metal ion from aquatic environment

Dr. Ratna Singh, Mrs. Aruna V. Kapse

Abstract

As we know that there are number of water purification techniques for wastewater treatment electrocoagluation and

adsorption have better ability to reduce the water parameters but the adsorption is one of the most simplest, effective and

economical method for wastewater purification. Coal combustion in power plant produces fly ash. Fly ash may be used in

water treatment to remove toxic metal ion from aquatic environment Incineration is widely adopted in modern waste

management, the incineration ash may be used as an adsorbent for waste water treatment. In this article a large number of

solid adsorbents such as agricultural wastes, natural adsorbents, biomass, carbon based nanomaterials, nanoadsorbents,

nobel metal based nanomaterials, metal oxide based nanomaterials, spinel ferrite based nanomaterials, nanocomposites,

geopolymer cement have been discussed for the removal of different pollutants from waste water. Adsorption isotherm

models, kinetic models, thermodynamic parameters and adsorption mechanism have also been discussed. This review article

aims to compile scattered information on the different adsorbents that are used for heavy metal removal and also try to point

out the advantages and drawbacks of adsorbents and the future research needs in the area of water purification by

adsorbents.

Keywords : fly ash, solid waste, nanomaterial , incineration ,adsorbent ,heavy metal.

203

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Sustainabletreatment and recovery from waste effluents of food processing units

Manish Kaushik

Department of Chemical Engineering, Noida Institute of Engineering and Technology, Greater Noida – 201306

email: [email protected]

Abstract

Food industries cover several activities like processing, conversion, preparation, preservation, and preservation. The raw

materials are extracted from agriculture, farming, and fishing. The food processing sector includes milk and milk products,

fruits, vegetables and juices.Food waste must be popular to boost sustainability by preserving its valuable components. In

particular, the need to behave in a sustainable manner can no longer be overlooked by food processing companies and

agricultural development processes. "Sustainability is a technology that addresses today's needs but does not sacrifice future

generations' ability to fulfill their individual needs." Livestock feed collection, nutrient-rich manure compostation, anaerobial

fermentation, waste harvesting for other industries, feeding the excess food to poor citizens, are safe, effective, and

successful waste management approaches. The Food Recovery Hierarchy of the United States Environment Protection

Agency (EPA) includes guidelines on the development of a system that gives food processors and food farmers the most

economic, society-related, and food output benefits.

Fig. 3.5 .EPA’s Food Recovery Hierarchy (US EPA, 2015)

204

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Experimental and DFT study of a di-nuclear CuI complex with (E)-2-benzylidene-N-methylhydrazinecarbothioamide

Tarlok S. Lobanaa, Rekha Sharma,a SanyobiKim,b TakashiroAkitsub

aDepartment of Chemistry, Guru Nanak Dev University, Amritsar 143 005 India bDepartment of Chemistry, Faculty of Science, Tokyo University of Science, Kagurazaka, Shinjuku-Ku, Tokyo 162-8601, Japan

Abstract

An equimolar reaction of copper(I) chloride with the (E)-2-benzylidene-N-methylhydrazine -carbothioamide (btscH-N1HMe)

thio-ligand in acetonitrile followed by the addition of one mole of triphenyl phosphine(Ph3P) gave crystals of empirical

composition, {CuCl(Ph3P)(btscH-N1HMe)}. The infrared spectroscopy, 1H-NMR spectroscopy and single crystal x-ray

crystallography revealed the formation of the di-nuclear compound, [Cu2(-Cl)2(Ph3P)2(1S-btscH-N1HMe)2]. Intermolecular H-

bonding between dimeric units led to the formation of a H-bonded polymer.

DFT calculations on complexes of copper(I) halides with model thiosemicarbazone {H2C2=N3-N(H)-C(=S)-N1HMe} and PH3 as

a co-ligand revealed the formation of halogen-bridged or sulfur-bridged dinuclear complexes without or with halogen - solvent

/ water hydrogen bonding. Some interesting conclusions are inferred based on experimental-theoretical correlations. DFT in

software of Gaussian09 was adopted UB3LYP as generic function and applied Lanl2DZ to Cu atom to reduce the cost of

calculation.Focused complexes are optimized and oscillated by 6-31G(d) and excited by 6-31+G(d) as a basis function but

except for complexes containing iodine and it was operated by same basis function 3-21G in consistency. Optimized

structures and two kinds of physical property about complexes varied depending on the ligand and halogen. In the case of

sulfur bridged complexes, only simple substances could not be converged but these are resolved in the situation which is

surrounded by solvent (water). This process revealed that hydrogen bonds between complexes and solvent play an crucial

role to generate desired structures.

205

PP-36

Coordination polymers of Ag(I) and Hg(I) ions with 2,2′-azobispyridine: synthesis, characterization and enhancement

of conductivity in presence of Cu(II) ions

Dr. Suvendu Maity

Department of Chemistry, Jadavpur University, Kolkata


ABSTRACT

The cataionic coordination polymers (CP) of the types, [Hg2(abpy)2]n[PF6]n (1)and [Ag(abpy)]n[PF6]n (2)(abpy = 2,2′-

azobispyridine) were synthesized and characterizedby single crystal X-ray diffraction (SCXRD), infrared spectra. From single

crystal X-ray structure determination in solid-state structure there are different types ofwander walls interactions like π...π

stacking, anion...π, C-H...π are present and both the compounds have able to generate two dimensional (2D) supra-

molecular architectures.The compounds show the electrical conductivity of the compounds in the solid state and experiments

were done by using crystals. The relative conductivity of the Hg(I) CP is greater than the Ag(I) CP and the optical band gap

obtained from the UV-vis spectroscopy the Hg(I) CP (3.14 eV) has lower than Ag(I) CP (3.41 eV). The study infers that the

band gap for Hg(1) CP decreases for Cu2+ ions and the UV-vis spectra the λmax shift to the red shifted and the incorporation of

Cu2+ ion in the CP is authenticated by EPR spectroscopy. The relative conductivity of 1 is 62 times greater than 2. The

conductivity of 1 increase 70 fold when it reacts with Cu2+ ions.Moreover, band gap of the CPs has been obtained by DFT

computation, which also supports the progression of conductivity.

206

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Meglumine: A novel and efficient catalyst for one-pot, three-component synthesis of kojic acid derivatives

V. Vijayakumar and S. Sheik Mansoor*,

Research Department of Chemistry, Bioactive Organic Molecule Synthetic Unit,

C. Abdul Hakeem College (Autonomous), Melvisharam – 632 509, Tamil Nadu, India


Abstract:

An efficient one-pot synthesis of kojic acid derivativesby a meglumine-catalyzed three-component reaction hasbeen

developed.Kojicacid and its analogues have emerged as promising scaffoldsbecause of their broad spectrum of biological

activities such aserbicidal, antimicrobial, pesticidal and insecticidal behaviour.In particular, kojic acid is used as a skin

lightening/depigmentationagent in personnel care products. It is known to inhibit tyrosinase,which is responsible for the

formation of melanin in skin. Furthermore,it is used as an antioxidant in food stuff.

Meglumine is an amino sugar derived from sorbitolwith molecular formula C7H17NO5. In particular, the low toxicity of

meglumine allows its use in the formulation ofpharmaceuticals as an excipient and in conjunction withiodinated compounds in

contrast media such as diatrizoatemeglumine and iodipamide meglumine.

Considering the development of new multicomponent reactions and environmental benignsynthetic methodologies, we wish

to report a facile, one-pot,three-component process for the synthesis of kojic acid derivatives from the reaction of aldehydes,

malono nitrilewith kojic acid in the presence of meglumineat room temperature in ethanol-water as solvent. The synthesised

compounds are acted as antimicrobial agents.

OHO

OH

O

CN

CN

CHO

OHO

O

O

R

NH2

R1

R1

1111aaaa---- jjjj 2222 3333 4444aaaa----jjjj

++ Meglumine

EtOH - Water

207

PP-38

A dual channel subsequent detection of Cu2+ ion and Cysteine by substituted imidazole probe

Abhijit Mandal, Shubhamoy Chowdhury

Department of Chemistry, University of Gour Banga, Malda, Email: [email protected]

Abstract

A trisubstituted imidazole derivative has been synthesized; it can detect Cu2+ and cysteine by changing colour as well as

fluorescence. The ACN solution of the probe changes its colour from colourless to red in addition of Copper(II) ions and its

fluorescence get diminished. The detection limit is 2.25 µM. The Cu2+ Probe complex is red colour and the addition of

cysteine restores fluorescence and reverses the colour change. A Job’s plot confirm 1:1 stoichiometric ratio, also supported

by ESI-MS spectrum. The probe has good cell permeability, suitable for fluorescence imaging technique and it is able to

detect Cu2+ ion in B16F10 skin melanoma cells. The probable structure of the Cu2+ probe complex and mechanism of the

sensor was also supported through Density Functional Theory

208

PP-39

Characterization of perovskite based lead-free ceramics (K,Na)NbO3

Deva Sucharitha C

Dr Madhavaprasad Dasari GITAM University, Visakhapatnam.

Currently, lead zirconium titanates (Pb, Zr) TiO3 (PZT) are widely using because of their superior piezoelectric properties. The

perception about the subsequent complications of environment and human health, environmental regulations restricted the

use of hazardous substances, especially, consumption of the lead in the piezoceramics. The toxicity of lead oxide

contaminates the environment in the firing process and tarnishes the human health. However, Lead-free ceramics are still

inferior but a good alternative to replace PZT ceramics. Also, K(1-x) Na(x) NbO3 at x=1/2 ceramics exhibits the Morphotropic

Phase Boundary (MPB) between Orthogonal and tetragonal phases (O-T phase), which grasped the researcher’s attention

and motivated to focus on lead-free piezoceramics. Specifically, K0.5 Na0.5 NbO3 shows magnificent piezoelectric and

ferroelectric properties. In the past two decades, researchers reported gracious properties of (K, Na) NbO3 and explored

various potential applications. The factors, high transition temperature, low dielectric constant, high remnant polarization and

high electromechanical coupling coefficient made KNN as the priority. The preparation of sodium-potassium niobate ceramics

is associated with distinct problems.The preparation of sodium-potassium niobate ceramics is associated with distinct

problems. Defending the starting powders from the external factors, non-stoichiometry due to the sensitivity, complications in

the process of densification, higher water solubility as they are alkaline carbonates, high volatilization and poor sinterability.

Most of the problems associated with KNN were studied and optimized. Among all the preparation of starting powders is very

challenging. From the literature, there are several techniques available to amalgamate the powders. The Conventional mixed-

oxide method is the most commonly used technique. In the chemical route, sol-gel method, hydrothermal synthesis and co-

precipitative methods are available. In the conventional method, the calcination temperature is very high which harden the

powders. In the current work, powders prepared in the molten salt synthesis which is an effective process to supersede

conventional mixed-oxide method. The advantages of molten salt synthesis are low calcination temperature and obtaining

grain-oriented ceramics because of providing control on particle morphology.

209

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Carboxymethyl chitosan /Halloysite Nanotubes Bionanocomposite Films for Wound Dressing

Nirmla Devi

Assistant professor & Head, Department of Chemistry, Suraj PG Degree College, Sec.-75 Gurugram,

Haryana 122103, India


Abstract: In the present work, carboxymethyl chitosan/ halloysite nanotubes bionanocomposite films were prepared via

solution mixing method. Firstly, water soluble chitosan derivate i.e. carboxymethyl chitosan (CMCS) was synthesized by

carboxylation reactionreported in literature. Then, stock solution of CMCS (w/v %) and halloysite nanotubes were

preparedseparately in distilled water. After that the CMCSsolution and halloysite nanotubes were mixed into different

proportion to form bionanocomposite films for wound healing application as shown in Figure 1. The wound healing efficacyof

the prepared bionanocomposite films were studied by various physical properties (swelling ability, water vapour transmission

rate (WVTR), pH of biocomposite, folding endurance, porosity, and thickness) as well as biological properties (soil

degradation and hemolysis).The swelling ability, WVTR, folding endurance, porosity, and thickness results showed that there

were significant effects of the amount of halloysite nanotubes on the prepared bionanocomposite films.In addition, the above

said bionanocomposite films were non-hemolytic and biodegradable in nature. The result of physical and biological properties

proved that the prepared bionanocomposite films could be used for wound healing application.

Keywords: Carboxymethyl chitosan; Halloysite nanotubes; Bionanocomposite;

Figure 1: A schematic representation of preparation and evaluation of bionanocomposite films for wound dressing.

210

PP-41

ANTIBACTERIAL ACTIVITY OF di-PHOSPHATE ESTER HAVING C-N-P LINKAGE

Pragya Awadhiya*1, Jaya Singh2

1Rungta College of Engineering and Technology, Raipur, Chhattisgarh 492010, India

2Shri Shankaracharya Institute of Professional Management and Technology, Raipur, Chhattisgarh, 492010, India

E-mail: [email protected] , [email protected]

Abstract:

Di-p-toluidine phosphate has been synthesized by the reaction of p-toluidine, with phosphorylating agent POCl3.

Characterization is done by elemental and IR spectral analysis. Resistance in some pathogenic bacterial strains to

conventional antibiotics has initiated to search for effective treatments against microorganisms. In this context, antibacterial

activity of synthesized phosphate ester has been tested by determining the zone of inhibition of bacterial growth. The isolation

of bacteria and their characterization by different methods have been carried out. Different concentrations of phosphate ester

in DMSO were applied to examine their antibacterial activity against coccus gram positive and gram negative bacteria by

paper disc diffusion method. Zone of inhibition was observed and measured in mm. The study confirms that phosphate ester

is highly effective against coccus gram negative bacteria as compared to gram positive bacteria.

Key words: Di-p-toluidine phosphate, antibacterial activity, paper disc diffusion method, zone of inhibition.

211

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Rationally Designed Multifunctional AIEgens For the Selective Sensing Of Trinitrophenol (TNP) And Cell-Imaging

Satyajit Saha,*a Valmik P. Jejurkar,a Gauravi Yashwantrao,a B. Pradeep K. Reddy. B,bAnuja P. Ware,c Subhash S.

Pingale,cRohit Srivastava,b

aDept. of Dyestuff Technology, Institute of Chemical Technology, Matunga, Mumbai-400019

bDept. of Bioscience and Bioengineering, IIT Bombay, Mumbai, Maharashtra, India.

cDept. Of Chemistry, Savitribai Phule Pune University, Ganeshkhind, Pune, Maharashtra-411007

Corresponding author (Satyajit Saha) email: [email protected] (SS)

Abstract:

Two structurally unique Aggregation Induced Emission (AIE)-active luminogens have been designed and synthesized based

on the furocarbazole skeleton. Such small molecule AIEgens were distinctively designed based on forbidden planarity and

engineered twist in the scaffold to realize their effects on inducing the emission in the aggregated states. The structures were

fully characterized and thermal stabilities, electronic properties, photophysical and electrochemical properties were

systematically investigated. The unique twist in the molecules as evident from their X-ray crystal structure along with the short

intermolecular interactions ameliorates the structural rigidification and restricts the detrimental π-π stacking interactions,

restricting the internal rotations (RIR) accompanied by curbing the ICT process, resulting in the enhanced emission in the

aggregated state. This intriguing luminescent property enabled one of the luminogen to selectively detect trinitrophenol (TNP)

over other nitroaromatics in both aqueous and organic media in nanomolar concentration. Moreover, the good photostabilities

and biocompatibilities empowered both the luminogens to function as fluorescent bio-probe for cancer cell imaging.

Keywords: Furocarbazole, AIEgens, TNP sensing, Cell-imaging.

Reference: Valmik P. Jejurkar, Gauravi Yashwantrao,B. Pradeep K. Reddy, Anuja P. Ware, Subhash S. Pingale Rohit

Srivastava, Satyajit Saha*ChemPhotoChem, 2020, DOI: 10.1002/cptc.202000090.

212

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. Synthesis of nanoparticles via plant extracts

Dr. Rashmy Nair

Department of Chemistry, S. S. Jain Subodh P. G. (Autonomous) College, Jaipur-302004 (Rajasthan)

Email address: [email protected]

ABSTRACT

Metallic nanoparticles are utilized in every field of science may it be medical or engineering. These metal and metal oxide

nanoparticles are synthesized by the top down or bottom up approaches, in which the later approach becomes more versatile

as it involves the green synthesis by the plants (leaves, root, flowers and fruit) and microorganisms (algae, fungi and

bacterium). This ecofriendly protocol is helpful in overcoming the destructive effects of the chemical synthesis of

nanoparticles like use of toxic chemicals, shorter reaction times, formation of harmful by-products etc. The nanoparticles so

obtained have a variety of applications like antimicrobial activity, pollutant dyes removal, catalysis and many others. They can

equally well be applied in food, cosmetic and pharmaceutical industries. There are ample possibilities in this field of

environment friendly strategy of nanoparticles synthesis.

213

PP-44

Purification of Zinc Oxide by Petroleum Coke Using Direct Thermal Process

Shreemoyee Ghosh

Undergraduate Student (UG)

Department of Petrochemical Engineering, Dr. Babasaheb Ambedkar Technological University Lonere, Maharashtra


Abstract:

The purification of impure zinc oxide (80-85 wt %) by using petroleum coke (carbon content is 76 wt %) as reducing agent for

the impure zinc oxide to provide pure zinc vapor, which will be oxidized later by air to the pure zinc oxide. The operating

conditions of the reaction were studied in detail which are, reaction time within the range (10 to 30 min), reaction temperature

(900 to 1100 oC), air flow rate (0.2 to 1 l/min) and weight percentage of the reducing agent (petroleum coke) in the feed (14 to

30 wt %). The best operating conditions were (30 min) for the reaction time, (1100 oC) for the reaction temperature, (1 l/min)

for the air flow rate, and (30 wt %) of reducing material (petroleum coke) in the feed. Under the above conditions, conversion

of zinc oxide was (68.12 %) and the purity of the produced zinc oxide was (97.85 %) by using petroleum coke as reducing

material.

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PP-45

Chemical examination ofaerial part of Adhatodavasica

Poonam Khandelwal

Department of Chemistry, Mohanlal Sukhadia University, Udaipur-313001, INDIA


Abstract

Adhatodavasica or Justicaadhtoda,which is commonly known as ‘Vasaka’ or ‘Adosa’. It has been used as traditional

medicine from ancient time. A numberof bioactive constituents have been isolated from this plant. This plant is included in

the “Manual of Traditional Medicine in Primary Health Care”, published by the World Health Organization, where it is

recommended for the treatment of cough, asthma, breathing trouble, phlegm, allergic conditions, bleeding hemorrhoids, both

for adults and youth.Alkaloids are one of the major secondary metabolite of this plant, which are foundin the form of

pyrroloquinazolinederivatives. Adosaalso contains several other phytochemicals such as flavonoids, terpenoids, chalcones,

glucoside and other miscellaneous compounds.

Re-investigation of Adhatodavasicaled to the isolation of two compounds namely pentonic acid-3-deoxy-γ-lactone (1),

peganine-N-oxide (2)along with alkaloid vasicine and vasicinonefrom the methanol extract of its aerial parts. These

compounds have been isolated for the first timefrom this plant. All the compounds were characterized by modern

spectroscopic techniques.

215

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Impact of Glycerol Based Deep Eutectic Solvent on Micellization Behaviour of Conventional Cationic Surfactants

Manoj Kumar Banjarea,b*, Ramesh Kumar Banjarea and Kallol K Ghoshb*

aMATS School of Sciences, MATS University, Pagariya Complex, Pandari, Raipur (C.G.), 492 009, India.

bSchool of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur (C.G.), 492 010, India.

ABSTRACT

The aggregation behaviour of two cationic surfactants i.e., cetyldimethylethanolammonium bromide (CDMEAB) and

cetyltributylphosphonium bromide (CTBPB) within aqueous deep eutectic solvent (DES) is studied. The DES synthesised is

composed of 1 : 2 mole ratio of choline chloride and glycerol and furthermore characterized by FTIR and 1H-NMR

spectroscopic techniques. The critical micellar concentration (CMC), micellar size and intermolecular interactions in

surfactants with Gly based DES solutions are investigated by various techniques including the surface tension,

conductivity, fluorescence, dynamic light scattering (DLS), FTIR, 1H-NMR, and 2D NOESY spectroscopy. The CMC,

aggregation number (Nagg), Stern-Volmer constants (Ksv) have also been studied by steady state fluorescence method.

DLS is used to obtain information regarding the size of the aggregates formed by the cationic surfactants in DES solutions.

FTIR spectroscopy was used to study the surfactant-DES interactions that leads to tune the micellar structure of the

surfactants within the Gly based DES solution. 1H-NMR and NOESY spectroscopic methods are further employed to

strengthen our claim on the feasible structural arrangements within the aqueous surfactant-DES self-assembled structures.

The present results are expected to be useful for colloidal aspects of DES and their mixtures with water.

Key words: Cationic surfactant, Deep eutectic solvent, Micellization behaviour, Spectroscopy.

References:

1. Banjare, M. K.; Behera, K.; Satnami, M. L.; Pandey, S.; Ghosh, K. K. Self-assembly of a short-

chain ionic liquid within deep eutectic solvents. RSC Adv., 2018 (8) 7969-7979.

2. Banjare, M. K.; Behera, K.; Kurrey, R.; Banjare, R. K.; Satnami, M. L.; Pandey, S.; Ghosh, K. K.

Spectrochim Acta A,. 2018 (199) 376–386.

3. Banjare, M. K.; Behera, K.; Kurrey, R.; Banjare, R. K.; Satnami, M. L.; Sahu, R.; Sharma, S. Pandey, S.; Ghosh, K.

K., ACS Sustainable Chem. Eng., 2019, 7, 11088−11100

216

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Free radicals and heavy metals in the hair samples of some wild animals

Sankar Neogi

Department of Chemisty

Haflong Govt. College, Haflong, Assam-788819


Abstract

Atomic absoption spectroscopic study of hair samples of some cat family members’ like the leopard cat, civet cat, flying

squirrel and leopard from Assam, North East India revealed the occurrence of some trace metal. Scanning electron

microscopic (SEM) study reveals the ultra structural features of the hair samples. Infrared spectroscopic study of the samples

revealed characteristic peaks typical of CH, NH and OH vibrational mode. Electron spin resonance spectroscopy suggested

occurrence of free radicals consistent with the presence of transition metals. The present study intends to provide some

elemental and spectral data of the hair samples of cat family members.

Key words: Hair, cat, FT-IR, SEM, AAS.

217

PP-48

Synthesis, Characterization, Biological Screening and Molecular Docking Studies of Newer BenzimidazoleAnalogs

as Potential Antibacterial, Anticancer and Antifungal Agents

Harsh Bharadwaj, Chandra Shekhar Sharma

Department of Pharmaceutical Chemistry, Bhupal Nobles’ College of Pharmacy, Bhupal Nobles’ University, Udaipur-313001,

Rajasthan, India

Abstract

Benzimidazole is very attractive nucleus to design new antibacterial, antifungal and anticancer agents. Therefore, in this work,

we synthesize and evaluate novel benzimidazole derivatives for their antibacterial, antifungal and anticancer activity.

Numerous derivative of benzimidazole were designed and evaluated by the docking studies using glide tool for their

antimicrobial and anticancer activities. o-phenylenediamine and salicylic acid were used for the synthesis of 2-(1-(substituted

phenylamino) methyl-1H benzo[d] imidazol-2-yl) phenol (3a-3g) derivatives by using various substituted piperazine. The

structures of these compounds were characterized by IR, 1H NMR, Mass spectral data and elemental analysis. Each

analogue was tested in vitro for various types of pharmacological activity of this class of drugs including antibacterial,

antifungal and anticancer activity.The compounds 3c found most active against E.coli and P. aeurigenosa and 3e found to

be most active against B.subtilis and S.aureus. The derivative 3g shows good activity against C.albicans and A.niger.Among

all the tested compounds 3a and 3b were found with significant anticancer activity in comparison to Adriamycin standard

drug. It can be deduced that these synthesized compounds can be regarded as a promising starting point for developing

single molecule with multiple targets.

218

PP-49

Use of activated carbon as hydrogen storage material

Samyabrata Bhattacharjee1, Siddhartha Sankar Boxi2

Department of Chemical Engineering, Haldia Institute of Technology, Haldia 721657, West Bengal, India

[email protected]

[email protected]

Abstract:

Today’s transportation sector is almost dependant on petroleum-derived fuels. There is the challenge to stabilize the global

carbon dioxide level. To make the transportation sector free from petroleum driven researchers are now focusing on some

new technology such as hydrogen-powered fuel cell vehicles (FCV) over internal combustion engine (ICE). The biggest

benefit of hydrogen power fuel cell is its zero emission which is highly desirable for the pollution free green environment.

Some technological hurdles of FCV such as its efficiency and difficulty in storage make it limited in commercial applications.

Hydrogen storage materials have major role in that purpose. In general, hydrogen storage materials can be classified into two

categories based on (i) the nature of their sorption mechanism and (ii) by the identity of the material itself. The most relevant

hydrogen storage materials are (1) conventional metal hydrides, (2) complex hydrides, (3) sorbents, and (4) chemical

hydrides. Conventional metal hydrides possess high volumetric capacities, favourable kinetics, efficiencies and

thermodynamics, and are reversible on-board the vehicle. But, it has lo gravimetric capacities. Complex hydrides typically

have both high gravimetric and volumetric capacities but has poor hydrogen uptake/release kinetics. Sorbents have high

gravimetric capacities and are on-board reversible with facile kinetics But have modest volumetric capacities and poor

thermodynamics. The chemical hydrides possess high hydrogen capacities by both volume and weight but can be

excessively exothermic and require significant heat management. Till now a great deal of progress has been made in the

development of new material for hydrogen storagein laboratory scale. However, in future further development is highly

desirable to make hydrogen-powered fuel cell vehicles (FCV).

Keyword: Hydrogen, Fuel cell, Internal combustion engine, Hydrides, Fuel cell vehicles.

References:

1. Yang. J, Sudik A, Wolvertonb. C and Siegelwa. D. J, High capacity hydrogen storage materials: attributes for automotive, (2008) applications and techniques for materials discovery 10.1039/b802882f

2. Annual Energy Review 2006, Energy Information Administration, U.S. Department of Energy (June 2007). T. J. Wallington, J. L. Sullivan and M. D. Hurley, Meteorol. Z.2008, 17, 109

219

PP-50

Detailed Charge Carrier Dynamics and Monovalent Cation Induced increment in Quantum Yield in Mixed Lead-

Bismuth Perovskite Nanocrystals

Shovon Chatterjee, Mainak Ghosal and Pratik Sen*

Department of Chemistry, IIT Kanpur, Kanpur-208016, UP, India Email:

[email protected] (SC) and [email protected] (PS)

Abstract: The low quantum yield of Bi3+ doped lead halide perovskite nanocrystals (NCs) is really a big challenge to the

scientific community, making these Bi3+ doped lead halide perovskite NCs a weak competitor in the field of optoelectronics

in spite of its better stability than its pure lead analogue. In this work, the reason behind this reduction of quantum yield in

hybrid mixed lead-bismuth bromide NCs (MPBBr) is investigated by time resolved emission study. One ultrafast process,

termed as trapping transfer appears in MPBBr, which is responsible for this huge reduction of quantum yield. It is also

proved that surface trap states are not involved in this trapping transfer, but the main culprit is crystal voids which acts as a

trapping center in MPBBr NCs. Further we have boosted the quantum yield up to 64% from 9% by introducing K + in the

MPBBr which actually fills the crystal voids up, proved again by the time resolved emission study. This study highlighted the

reason of quenching process in Bi3+ doped lead bromide perovskite NCs and most importantly a huge increment in

quantum yield upon crystal void filling.

References:

1. S. Chatterjee, P. Dey, N. Das, K. Tiwari, T. Maiti, P. Sen, Chem. Eur. J. 2020, 26, 1506. 2. R. Begum, M. Parida, A. L. Abdelhady, B. Murali, N. M. Alyami, G. H. Ahmed, M.

N. Hedhili, O. M. Bakr, O. F. Mohammed, J. Am. Chem. Soc. 2017, 139, 731.

3. P. Dey, V. Khorwal, P. Sen, K. Biswas, T. Maiti, ChemistrySelect, 2018, 3, 794.

220

AcknowledgementAcknowledgementAcknowledgementAcknowledgement

This year 2020 the Indian Chemical Society, Kolkata has organized a month long International Seminar on “Recent

Advances in Chemistry & Material Sciences (2020)” during August 02, 03, 08, 15, 22 & 29, 2020 to

commemorate the 159th Birth Anniversary of Acharya Prafulla Chandra Ray, the doyen of chemical sciences in

India for which I acknowledge all the Endowment and Invited Speakers, Conveners, Learned Judges, Presenters

and Participants.

I heartily acknowledge the Conveners, Dr. Gourishankar Roymahapatra (Haldia Institute of Technology, Haldia),

Dr. Mijanur Rahaman Molla, Dr. Kamalika Sen, and Professor Nikhil Guchhait, Department of Chemistry, University

of Calcutta, for their relentless effort to make this International Event successful.

I sincerely acknowledge the great and difficult job of the judgmental part of the International Seminar which has

been continued for a month despite of the pandemic situation with recurrent lockdowns due to COVID 19. I,

therefore, express heartfelt acknowledgement to Professor Alakesh Bisai (IISER Kolkata), Dr. Manindranath Bera

(Department of Chemistry, University of Kalyani), Dr. Ramananda Maity (Department of Chemistry, University of

Calcutta), Dr. Santanab Giri (Haldia Institute of Technology, Haldia), Prof. Sayan Bhattacharyya (IISER Kolkat),

Professor Somenath Roy (Former Professor, Vidyasagar University), Professor Debaprasad Mandal (IIT Ropar),

Dr. Biswajit Pal (St. Paul’s C M College, Kolkata) and Professor Ashok K Mallik (Former Professor Jadavpur

University).

I sincerely acknowledge the Endowment Speakers for their most valuable lectures with lively demonstrations.

Heartfelt acknowledgement is conveyed to all the Invited Speakers, of which, some are on the recent dreadful

global threat for human race in form of COVID 19.

I express my wholehearted acknowledgement to all the presenters (Oral & Poster), general participants and

especially the young researchers for their aspirant and innovative presentations. Last but not least, the

management of web-platform by Mr. Biplab Basu at this pandemic situation is sincerely acknowledged. Office Staff,

Dr. Rahul Bhattacharya, Executive Officer; Mr. Partha Ganguly and Mr. Sandip Datta are gratefully acknowledged

for their heartfelt service.

Professor Chittaranjan Sinha

Convener of the Symposium&Honorary Secretary, Indian Chemical Society

221

Author Index

A. Mavani-69

A.K.guptab-135

Aben Ovung-69, 70

Abhijeet S. Kate-96

Abhijit Mandal-207

Abhinandan Rana-148

Abhishek Sharma-170

Adity Bose-50

Aditya Bhattacharya-167

Aftab Ahmad Sulaiman- 99

Akashdeep Sahu-171

Akito I Sema-54

Alok Jain-96

Alok Kumar Yadav-147

Amit Jain-163

Amit Kumar Das-200

Amita Somya-149

Amrutham Santoshi Kumari-174

Ananya Das Mahapatra-88

Animesh Kundu-56

Anindita Chakraborty-115

Anirban Das-161

Anjali Patel-52

Anoop K Gupta-95

Antara Reja-85

Anu Radha-100

Anuja P. Ware-211

Anup Barde-145

Anwesha Bhattacharjee-172

Aritra Das-186

Arjun Kumar-173

Arnab Halder-93

Arti Vishwkarma-101

Aruna V. Kapse-202

Arunangshu Kundu-102

Ashanendu Mandal-103

Asheesh Mishra-104

Asutosh Goswami-96

Atanu Singha Roy-140

Ayan Datta-71

B. Pradeep K. Reddy. B-211

B.Gopal Krishna-132

Baby Mandal-187

Baisali Rajbansi-130

Basudev Mandal-185

Bhaskar Biswas-68

Bhavya Srivastava-78

Bibhuti Bhusan Parida-157

Birendra Kumar-201

Biswadeep Pal-105

Biswajit Jana-106

Biswajit Maji-167

C. Tejasree-174

Chandana Pramanik-185

Chandra Chowdhury-71

Chandra Shekhar Sharma-97, 217

Chirantan Roy Choudhury-74

Chittaranjan Sinha-88,107

C.S.Azad-187

D kishore-190

D. Chattopadhyay-88

D.K. Raia-135

Dayanand Prasad-201

Debajyoti Debnath-175

Debanjan Chatterjee-96

Debashis Mallick-109

Debashree Das-62, 75

Debasis Dhak-165

Debayan Sarkar-127

Debdas Mandal-150

Debobrata Sheet-110

Deva Sucharitha C-208

Devashish Sood-127

Dhirendra K Rai-95

Dhruvi Pithadia-52

Dikshita Dowerah-176

Dilip K. Bhattacharyya-193

Dinesh Kumar Pyne-93

Dinesh Panday-177

Dipak K. Goswami-55

Dipika Pan-80

G.S. Mukherjee-163

Ganapathi Anantharaman-82, 112

Gaurav Tamrakar-60

Gauravi Yashwantrao-113, 168,

211

Gobinda Ch. De-58, 102

Gourisankar Roymahapatra-58, 73

Gulmi Chakraborty-153

Gunja Kumari-114

Harsh Bharadwaj-217

Himadri Acharya-115

Hiroki Sato-143

Indrapal karbhal -90, 171

Iruthayaraj Avinash-82

Ishu Saraogi-161

Jagadeesh Kumar Ega-178

Jaya Singh-210

Jhimli Bhattacharyya-54, 69, 70,

84, 121, 139

Jhuma Ganguly-80, 106

Joyita Dutta-73

Jyotirmoy Maiti-152

Kallol K Ghosh-89, 91, 92, 171,

195, 215

Kalyan Kumar Rana- 179

Kamalika Sen-50, 51, 62, 75, 78

Kiran Thakur-198

KN Srinivasan-129

Koushik Chandra-116

Krushna Chandra Sethi-162

222

Kumara Swamy Jella-178

Kushal Qanungo-94

Laboni Das-51

Lakshita Dewangan-79

Lalit Sharma-100

Lavkesh Kumar Singh Tanwar-91

M. Banerjee-163

M.K. Singha-135

Madhurima Jana -77

Manik Das-87

Mainak Ghosal-219

Manish Kaushik-203

Manmohan L. Satnami-79

Manoj Kumar Banjare-215

Manoj Kumar Ghosh-117, 125

Mayank K Singh-95

Md. Mobashshir Sulaiman-99

Mijanur Rahaman Molla-67

Mita Halder-50

Mosidur Rahaman Molla-63

Moumita Gangopadhyay-81

Moumita Majumdar-53

Mrinal K. Adak-165

Mrinal Kanti Dash-58

N. Guhaa-135

Nabanita Naskar-76

Namita Singh-112

Nancy Jaswal-100

Narayan Ch. Das-55

Naresh Kumar--118

Narugopal Manna-166

Nasseb Singh-61

Nidhi Nirmalkar-134

Niladri Biswas-74

Nimish Kumar-119

Nira Parshi-80

Niraj S. Topare-120

Niraj Upadhyay-170

Nirmla Devi-209

Nirupma Singh-180

Nishant Biswakarma-181

Nishithendu Bikash Nandi-182

Nungshioba Jamir-121

Omkar Shinde-161

Pabitra Kumar Kalita-146

Pallobi Sarkar-154

Pampa Guha-183

Parimal Chandra Bhomick-54

Parnajyoti Karmakar-184

Partha Pratim Bag-122

Pathoja Maity-172

Pawan Kumar-118

Payal Arora-49

Poonam Khandelwal-214

Prachi Prakash -66

Pradip Bera-185

Pragya Awadhiya-210

Prasanta Patra-123

Pratibha Sharma-143

Pratik Sen-186, 219

Pratyush Ghosh-186

Pravat K. Swain-162

Praveen Kumar Singh-201

Praveen Kumar Yadav-134

Preeti Yadav-143

Pritam Singh-50

Priyanka Gupta-125

Priyanka Sharma -94

Priyanka-126

Projesh Kumar Roy-188

Pulak K. Ghosh-175

Pulakesh Bera-185

Puppala Veerasomaiah-174

Pushpendra mani Shukla-167

Puspendu Kuila-127

R. Manivannan-138

R.K. Dey-189

Rahul Dwivedi-167

Rajaram Bal-142

Rajkumar Jana-71

Rajni Bais-111, 137

Rajpratap Kshatriya -113

Rakesh Parida-59

Rakhi goyal-190

Ramesh Ch. Deka-176, 181

Ramesh Kumar Banjare-215

Ranjan Das-152

Rashmy Nair-212

Ratan Kumar Dey-142

Ratna Singh-202

Reena Kalal-177

Reena Suryawanshi-191

Rekha Rani-201

Rekha Sharma-204

Renganathan Srirambalaji-112

Rima Thakur-63

Ritika Vaishnav-100

Rohit Srivastava-211

Rupasree Choudhury-128

S. Jothilakshmi-129

S. Rekha-129

S. Sheik Mansoor-206

S.K.Swain-189

Sabeeha Parveen -82

Samanwita Bhattacharya-130

Samiran Mondal-131

Samyabrata Bhattacharjee-218

Sangharaj Diyali-68

Sanjay Tiwari-132

Sanjib Senapatia-164

Sankar Prasad Paik-51

Sankar Neogi-216

Santanab Giri-58

Santanu Ray-50

Santosh Singh Thakur-134, 198

Sanyobi Kim-204

Sarathkumar K-95, 135

223

Sarfaraz Alam-161

Sarita Tripathi-112

Sarvesh Kumar Pandey-155

Satyajit Saha-113, 168, 211

Satyam Kumar Singh-136

Sayantani Barma-192

Sayantani Mitra-76

Seema Parveen-137

Shahee Islam-199

Shaktibrata Roy-182

Shalmali Basu-62

Shamim Ahmed Khan-72

Shampa Bhattacharyya-193

Shankha Banerjeea -164

Shantini A. Bokil-120

Sharad Kumar Sachan-112

Shashank Shekhar Mishra-97

Shikha Kumari -118

Shiv Kumar Manu-138

Shivadhar Sharma-201

Shovon Chatterjee-93, 219

Shreemoyee Ghosh-213

Shubhamoy Chowdhury-207

Shubhankar Ghorai-106

Siddhartha Sankar Boxi-218

Sk Asraf Ali-83

Soching Luikham-139

Somdev Pahari-77

Soumadip Banerjee-194

Soumen Ghosh-153

Soumik Bardhan-153

Soumik Bardhana-164

Soumitra K. Sengupta-101

Souradipto Choudhuri-172

Sourav Das-140

Sourav Majumder-158

Souvik Sen-75, 78

Sreekumar Kurungot-166

Srishti Sharma-89

Subanti Das-182

Subhajit Guria-64

Subhankar Sardar-141

Subhash S. Pingale-211

Subhashree Jayesh Pandya-92

Subhashree Mishra-142

Sudip Kumar Das-130

Sudip Majumder-143

Sudip Malik-71

Sudipta Ghosh-161

Sujata Maiti Choudhury-160

Sukanta Mandal-56

Sukanya Borthakur-146

Sukesh Patra-151

Suman Biswas-152

Sumit Kumar Dutta-57

Sunil K. Bhanja-151

Sunita Rattan-145

Sunny Kumar-201

Suparna Rana-179

Supriya Biswas-125

Supriya Kumari-124

Susanta Adhikari-64, 65

Susanta Kumar Borthakur-146

Susanta Lahiri-76

Sushama Sahu-195

Sushobhan Ghosh-102

Suvani Subhadarshini-55

Suvendu Maity-205

Suvroma Gupta-172

Swapan K. Saha-153

T.V.R.K. Rao-114, 173

Takashiro Akitsu-143, 204

Tanay Debnath-196

Tanmay Chattopadhyay-197

Tanushree Mishra-65

Tanushree Patnaik-189

Tarlok S. Lobana-204

Tarun Kumar Misra-53, 72, 128,

182

Tarun Kumar Naiya-105, 156

Tithi Maity-87, 144

Tomoyuki Haraguchi-143

Trishita Bhattacharjee-159

Tulsi Upadhyay-161

Tuyan Biswas-93

V. Vijayakumar-206

Valmik P. Jejurkar-113, 168, 211

Vandana Relwani-198

Varun Chaudhary-161

Vibeizonuo Rupreo-84

Vijay Devra-119

Vijay Kumar Sharma-145

Viniti Tomar-161

Yogesh Dhandhiand -156

Yogesh M. Gangarde-161

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