Bipul Bezbaruah (Chemical Science Division)

Assistant Professor

MSc (Gauhati) PhD (Gauhati)

Physical Chemistry, Theoretical Chemistry

Department of Applied Sciences
Gauhati University, Guwahati, 781014
Email: bipulbezbaruah[at]gauhati[dot]ac[dot]in

  1.       “Effect of polarity on the interaction energies of some Organic Solvent (OS)-Water system and formation of donor-acceptor complex: Quantum Mechanical MP4 study” Mrinal Jyoti Bezbaruah, Benzir Ahmed, Ibrahim Ali, Pratyashee Barukial and Bipul Bezbaruah*, Physical Chemistry Research, 2021(Article in Press).
  2.     “Quantum Mechanical study of some intercalating and groove binding anticancer drugs with AT and GC base pair of DNA nucleobase” Benzir Ahmed, Mrinal Jyoti Bezbaruah, Ibrahim Ali, Pratyashee Barukial and Bipul Bezbaruah*, Physical Chemistry Research, 9(4), 673-688, 2021.
  3.      “Ab initio Study on the π-π Stacking and Halogen Interaction in Chlorobenzene Systems in Comparison to Chloro Substituted Ethenes” Shruti Sharma, Benzir Ahmed, Madhab Upadhyaya, Mrinal Jyoti Bezbaruah, Ibrahim Ali and Bipul Bezbaruah*, Asian Journal of Chemistry, 33(2), 338-344, 2021.
  4.     “Hydrogen Bonding Interaction and Structural Change in Some Aliphatic Alcohol-Water Complexes: A Quantum Mechanical MP4 Study” Mrinal Jyoti Bezbaruah, Benzir Ahmed, Ibrahim Ali, Madhab Upadhyaya, and Bipul Bezbaruah*, Asian Journal of Chemistry, 32(7), 1212-1220, 1581-1588, 2020.
  5.       “The π-π Stacking Interaction of Azaborine and Some of its Derivatives: A Quantum Mechanical Study”, Mahasweta Choudhury, Shruti Sharma, Benzir Ahmed and Bipul Bezbaruah*, Asian Journal of Chemistry, 32(5), 1212-1220, 2020.
  6.        “Quantum Mechanical Studies on the effect of inter molecular rotation of the stacking interaction of diazine isomers”, Mahasweta Choudhury, Shruti Sharma, Benzir Ahmed and Bipul Bezbaruah* Ras. Journal of Chemistry, 13(1), 663-671, 2020.
  7.       “Quantum Mechanical Studies on the π-π Stacking Interactions of Aniline and Water-assisted Aniline in Gas and Aqueous Phases”, Shruti Sharma, Mahasweta Choudhury, Ibrahim Ali, Benzir Ahmed and Bipul Bezbaruah* Malaysian Journal of Chemistry, Vol. 22, 86-99, 2019.
  8.       “Quantum Mechanical studies on the mode of hydrogen bonding, stability and molecular conformations of phenol-water complexes”, Mrinal Jyoti Bezbaruah, Shruti Sharma, Benzir Ahmed and Bipul Bezbaruah*, Computational Chemistry, 7, 59-71 2019.
  9.       “Quantum Mechanical Study on the π-π Stacking Interaction and Change in Conformation of Phenolic Systems with Different Intermolecular Rotations” Ibrahim Ali, Shruti Sharma, and Bipul Bezbaruah*, Computational Chemistry, 6. 71-86, 2018.
  10.         “Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes” Shruti Sharma, Mrinal J Bezbaruah, Ibrahim Ali, Mahasweta Choudhury and Bipul Bezbaruah*, Computational Chemistry, 6. 15-25, 2018.
  11.        “Quantum Mechanical Study on the Effect of pi-pi Stacking Interactions on Phenolic Systems and their Compatibility with Some Polar Solvents” Shruti Sharma, Ibrahim Ali and Bipul Bezbaruah*, Journal of Chemistry and Chemical Sciences, 12 (7) 1311-1330, 2017.
  12.      “Quantum Mechanical studies on the existence of AC mismatches through prototopic tautomerization pathway in adenine and cytosine recognition”, Junu Basumatary, Bipul Bezbaruah, Rinki Kalita, Tapash K Barman and  Chitrani Medhi*,  Journal of Theoretical and Computational Chemistry, 16 (3) 4-15,  2017.
  13.         “Quantum Mechanical study on the proton transfer mechanism within AT and GC base pairs of DNA nucleobase” Bipul Bezbaruah* and  Chitrani Medhi,  Indian Journal of Advances in Chemical Science, 4 (3) 314-320,  2016.
  14.          “Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems” Shruti Sharma and Bipul Bezbaruah*, Journal of Physical and Theoretical Chemistry, 13 (1) 17-24, 2016.
  15.          “MP2 study on the variation of stacking interactions in aniline and some para substituted aniline systems” Shruti Sharma and Bipul Bezbaruah*, Journal of Physical and Theoretical Chemistry, 12 (3) 217-227, 2015.
  16.         “Exfolation of Grapheme oxaide nanosheets from pencil lead and in situ preparation of Gold Nanoparticles on Graphene oxide nano sheets” Bipul Bezbaruah, International Journal of Nanoscience,  Volume 12, Issue 05, October 2013.
  17.         “The Intercalation of Various Forms of Daunomycin within Sequences of DNA” Bipul Bezbaruah, Murshida Karim, P Hazarika, R Deka and C Medhi*, International Journal of Drug Design and Discovery, Volume 3 • Issue 1 • January – March 2012. 731-738.
  18.       “The features of protein binding by ruthenium complexes; Docking, force field and QM/MM studies” Pankaj Hazarika, J. Deka, Bipul Bezbaruah, R. P. Deka, O. K. Medhi and C. Medhi* International Journal of Research and Reviews in Applied Chemistry, 14(1)2012 , pp 64-74. 
  19.          “The DNA binding features of ruthenium complexes compared with cisplatin : docking, force field and QM/MM studies”, P Hazarika, B Bezbaruah, R P Deka, J Deka, T K Barman, O K Medhi, C Medhi*, The Clarion,1(2), 2012, pp 24-32.
  20.         “Interaction of small aromatic molecules: An ab initio study on benzene and pyridine molecules” Bipul Bezbaruah, P. Hazarika, A. Gogoi and O.K. Medhi, C. Medhi*, Journal of Biophysical Chemistry, 2(1), 2011, 32-36.
  21.          “A model study on the stacking interaction of phenanthrolin ligand with nuclic acid-base pair: An aninitio, MP2 and DFT studies.” Bipul Bezbaruah, P. Hazarika, A. Gogoi and O.K. Medhi, C. Medhi*, Journal of Biophysical Chemistry, 2(2), 2011, 152-157.
  22.          “Ab initio study on the nature of stacking between azaacridine-4-carboxamides with base pairs of DNA” Bipul Bezbaruah, Manash L. Das, Rajib L. Sarma, Murshida Karim, C. Medhi*, Journal of Molecular Structure: THEOCHEM , 947 (2010) 107–114.
  23.        “The Stacking Ability of Daunomycin with Base Pairs of DNA: Theoretical ab Initio (HF) and MP2 Studies” Bipul Bezbaruah, Murshida Karim, Rajib L Sarma and Chitrani Medhi*, International Journal of Drug Design and Discovery, Volume 1, Issue 1, January – March 2010. 33-40.
  24.         “The binding of acridine-4-carboxamides with DNA sequences: An ab-initio and force field study on the intercalation and side chain binding”, Bipul Bezbaruah, P. Hazarika and C Medhi*, International Journal of Drug Design and Discovery, Volume 1, Issue 3 July - September 2010, 228-238
  25.         “The compatibility of molecular structures of diphenyl diamines drugs with minor groove of DNA and the importance of cationic amidine group in DNA binding”, Bipul Bezbaruah, Rituraj Kalita, Pankaj Hazarika and C Medhi*, Sciencia Acta Xeveriana, Volume 1, No 1, 2009, 1-18.
  26.         “Prediction of pKa from basic principles: Ab initio and DFT studies on some molecules”, Pankaj Hazarika, Bipul Bezbaruah, Murshida Karim, Rajib L.Sharma and C Medhi*, Indian journal of Chemistry, section A, 48A, April 2009, pp. 520-525.
  27.         “The selectivity of nucleobases in DNA binding by Ru(phenanthroline)3 complex”, Pankaj Hazarika, Bipul Bezbaruah, Anshuman Gogoi, Pranjoli Das, O. K. Medhi and C Medhi*, Indian journal of Chemistry, Section A 48A, September 2009, pp.1235-1241.
  28.         “Ab initio molecular orbital and force field calculations on the interaction of daunomycin with GC base-pair and interaction within DNA”, Rajib L Sharma, Murshida Karim, Bipul Bezbaruah and C Medhi*, Indian Journal of Chemistry, Section B, 47B, October 2008, pp.11605-1610.

Quantum Chemistry

Spectroscopy

Computational Chemistry

Physical Chemistry

 

 

 

  • Non-Covalent, Pi-Pi and long-short range Interaction in Organic systems
  • Theoretical and Quantum Chemical study in Reaction systems
  • Anticancer Drug-DNA Nucleobase Interaction
  • QM/MM studies on Organic Biomolecules

THEORETICAL CHEMISTRY RESEARCH GROUP

A) Ph.D Students:

1. Dr. Shruti Sarma (2016-2020) (PhD awarded)

2. Dr. Mahasweta Choudhury (2016-2020) (PhD awarded)

3. Mrinal Jyoti Bezbaruah (2016-) (Ongoing)