Dr. Sudeep BhattacharyayAssistant ProfessorEducationBSc. IIT Kharagpur, Kharagpur, India MSc. IIT Kharagpur, Kharagpur, India Ph.D. Indian Association for the Cultivation of Science, Jadavpur University, India |
 Office: Phillips 452 Telephone:715 836 2278 Email:bhattas at uwec dot edu. |
General chemistry: Chem 103, Chem 104, and Quantitative Analysis (Chem 213)
Inorganic Chemistry
Undergraduate students are involved in several projects (Research Page).
We study electron transfer reactions in enzymes
Quinone Reductase and Copper-bound proteins
We are also curious about modeling weak non-covalent interactions in molecules
Non-covalent interactions of flavin and aromatics
We are also interested in the interplay of chemistry and protein motions
Functional protein dynamics
From research in collaboration with students
23. Interplay of flavin's redox states and protein dynamics: an insight from QM/MM simulations of dihydronicotinamide riboside quinone oxidoreductase 2
Mueller, R. M., North, M. A., Yang, C., Hati, S., Bhattacharyya, S. J. Phys. Chem. B 2011, 115, 3632-3641. [PDF]
22. Improved density functional description of the electrochemistry and structure-property descriptors of substituted flavins
North, M. A., Bhattacharyya, S. and Truhlar, D. G. J. Phys. Chem. B 2010, 114, 14907–14915.
[PDF]
21. Theoretical determination of the
redox potentials of NRH:quinone oxidoreductase 2 using quantum mechanical/molecular
mechanical simulations
Rauschnot, J. C. Jr.; Yang, C.; Yang,
V. and Bhattacharyya, S. J. Phys. Chem. B 2009, 113, 8149-8157. [PDF]
20. Evolutionary basis for the coupled-domain
motions in Thermus thermophilus leucyl-tRNA synthetase
Weimer, K. M. E.; Shane, B. L.; Brunetto,
M.; Bhattacharyya, S. and Hati, S. J. Biol. Chem. 2009,
284,
10088-99. [PDF]
19. Critical role of substrate conformational
change in the proton transfer process catalyzed by 4-oxalocrotonate tautomerase
Ruiz-Pernia, J. J.; Garcia-Viloca, M.;
Bhattacharyya, S.; Gao, J.; Truhlar, D. G. and Tunon, I. J. Am. Chem.
Soc. 2009, 131, 2687-2698. [PDF]
From post-doctoral and graduate studies
18. Combined quantum mechanical and
molecular mechanical simulations of one- and two-electron reduction potentials
of flavin cofactor in water, medium-chain acyl-CoA dehydrogenase, and cholesterol
oxidase
Bhattacharyya, S.; Stankovich, M. T.;
Truhlar, D. G. and Gao, J. J. Phys. Chem. A 2007,
111,
5729-5742.[PDF]
17. Potential of mean force calculation
for the proton and hydride transfer reactions catalyzed by medium-chain
acyl-CoA dehydrogenase: effect of mutations on enzyme catalysis
Bhattacharyya, S.; Ma, S.; Stankovich,
M. T.; Truhlar, D. G. and Gao, J.
Biochemistry 2005,
44,
16549-16562.[PDF]
16. Comparative modeling of the phosphatase
and kinase domains of protein tyrosine phosphatase and insulin receptor
kinase from Drosophila melanogaster (DPTP61fm), and a computational
study of their mutual interactions
Hati, S.; Bhattacharyya, S.; Price, J.
V. and Tracey, A. S. Biochemistry and Cell Biology 2002,
80,
225-239.[PDF]
15. V(V) Complexes in Enzyme Systems:
Aqueous chemistry, inhibition and molecular modelling in inhibitor design
Bhattacharyya, S.; Tracey, A. S. J.
Inorg. Biochem. 2001,
85, 9-13.[PDF]
14. Fluorescent derivatives of nucleotide
sugars as probes for studying the glucohydrolase activities of C. difficile
toxin A
Bhattacharyya, S.; Kerzman, A. and Feig,
A. L. Eur. J. Biochem.
2002,
269, 3425-3432.[PDF]
13. Synthesis, characterization and
reactivity of mononuclear O, N-chelated Vanadium-(IV) and (III) complexes
of methyl 2-aminocyclopent-1-ene-1-dithiocarboxylate based ligands: reporting
a rare type of conformational isomerism
Bhattacharyya, S.; Mukhopadhyay, S.; Samanta,
S.; Weakley, T. J. R. and Chaudhury, M.
Inorg. Chem. 2002,
41,
2433-40.
[PDF]
12. Interactions of N,N-dimethylhydroxamidovanadium(V)
with sulfhydryl-containing ligands:V(V) equilibria and the structure of
a V(IV) dithiothreitol complex
Bhattacharyya, S.; Martinsson, A., Bachelor,
R., Einstein, F. W. B.; Tracey, A. S.
Can. J. Chem. 2001,
79,
938 - 948.[PDF]
11. Syntheses, structure and properties
of cobalt(II) and (III) complexes of pentadentate (N4S) ligands
with appended pyrazolyl groups: evidence for cobalt(II)-dioxygen reversible
binding
Bhattacharyya, S.; Ghosh, D.; Mukhopadhyay,
S.; Jensen, Willium, P.; Tiekink, E. R. T.; Chaudhury, M.
J. Chem.
Soc., Dalton Trans.2000, 4677-4682.[PDF]
10. Nickel(II) in N4S donor
environment: an unprecedented alcoholysis reaction due to metal ion induced
activation of carbon-nitrogen single bond
Bhattacharyya, S.; Weakley, T. J. R.;
Chaudhury, M. Inorg. Chem.
1999,
38, 633-638.[PDF]
9. Nickel(II)-induced activation of
carbon-nitrogen single bond of coordinated ligand by hydroxylated substrates:
generation of mono- and binuclear complexes with modified ligand frameworks
Bhattacharyya, S.; Ghosh, D.; Endo, A.;
Shimizu, K.; Weakley, T. J. R.; Chaudhury, M.
J. Chem. Soc., Dalton
Trans. 1999, 3859-3865.[PDF]
8. Crystal structure and solution studies
of the product of the reaction of b-mercaptoethanol with vanadate
Bhattacharyya, S.; Batchelor, R. J.; Einstein,
F. W. B.; Tracey, A. S. Can. J. Chem. 1999, 77,
2088-2094.
7. Palladium(II)-induced activation
of carbon-nitrogen single bond of coordinated N4S ligand. Characterization
of product with modified ligand structure
Bhattacharyya, S.; Weakley, T. J. R.;
Chaudhury, M. Inorg. Chem.
1999,
38, 5453-5456.[PDF]
6. Crystal and molecular structure of
cis-bis(monothiodibenzoylmethanato)dioxomolybdenum (VI)
Bhattacharyya, S.; Dutta, S. K.; Chaudhury,
M.; Tiekink, E. R. T.
Z. Kristallogr. 1998, 213,
436.
5. Intra molecular electron transfer
in [(BzIm)(LVO)2O] (H2L = S-methyl-(2-hydroxy phenyl)methylenedithiocarbazate):
A novel (5-oxo) dinuclear oxovanadium(IV/V) compound with a trapped-valence
(V2O3
)3+
core
Dutta, S. K.; Kumar, S. B.; Bhattacharyya,
S.; Tiekink, E. R. T.; Chaudhury, M.
Inorg. Chem.1997,
36,
4954-4960.
4. Zinc(II) and copper(II) complexes
of pentacoordinating (N4S) ligands with flexible pyrazolyl arms:
syntheses, structure, redox and spectroscopic properties.
Bhattacharyya, S.; Kumar, S. B.; Dutta,
S. K.; Tiekink, E. R. T.; Chaudhury, M.
Inorg. Chem.1996,
35,
1967-1973.[PDF]
3. Mononuclear manganese(III) complexes
of a heterodonor (N2OS) ligand containing thiolate type sulfur:
synthesis, structure, redox and spectroscopic properties
Kumar, S. B.; Bhattacharyya, S.; Dutta,
S. K.; Tiekink, E. R. T.; Chaudhury, M.
J. Chem. Soc., Dalton Trans.1995,
2619.
2. Chemistry of molybdenum, part 9.
Non-oxomolybdenum(IV) and mononuclear oxomolybdenum(V) complexes with dithioacid
ligands
Dutta, S. K.; Kumar, S. B.; Bhattacharyya,
S.; Chaudhury, M. J. Chem. Soc., Dalton Trans. 1994,
97.
1. Oxalic acid
mediated coupled electron-proton transfer to sulfur rich cis-dioxomolybdenum
(VI), (IV) and bridged oxalato dinuclear molybdenum(V) complexes: synthesis,
spectra and electrochemical studies
Dutta, S. K.; Kumar, S. B.; Bhattacharyya,
S.; Chaudhury, M. J. Inorg. Biochem. 1993, 51,
168.