Chemistry

• Member, NASI
• Odisha Young Scientist Award
• Faculty Excellence Award
• Associate, Ind Acad Sci
• Ramanujan Fellowship

Journal
• Spirocyclic rhodamine B benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism Battula H., Nath M., Mishra S., Jayanty S. By RSC Advances 13 5134-5148 (2023)
• Synthesis and application of dual electron-deficient featured copolymers and their sequential fluorination for ambipolar organic thin film transistors Patra D., Zhan X., Linthoinganbi R., Muduli S., Mishra S., Liu Y., Park S. By Journal of Materials Chemistry C 11 1457-1463 (2023)
• The coordinated action of the enzymes in the L-lysine biosynthetic pathway and how to inhibit it for antibiotic targets Muduli S., Karmakar S., Mishra S. By Biochimica et Biophysica Acta - General Subjects 1867 - (2023)
• Energy Storage Application of Conducting Polymers Featuring Dual Acceptors: Exploring Conjugation and Flexible Chain Length Effects Pati S.K., Patra D., Muduli S., Mishra S., Park S. By Small - (2023)
• Ligands-induced open-close conformational change during DapE catalysis: Insights from molecular dynamics simulations Muduli S., Mishra S. By Proteins: Structure, Function and Bioinformatics - (2023)
• Deciphering the role of the two metal binding sites of DapE enzyme via metal substitution Paul A., Mishra S. By Computational Biology and Chemistry 103 - (2023)
• Modulation of Electrochemical and Spectroscopic Properties in Ru(II)-Terpyridyl End-capped Homobimetallic Organometallic Complexes by Varying -Conjugated Organic Spacers Patra S. K., Mishra S. , Sil A. , Roy S. S., Mishra V. K., Islam S. By Chemistry Select 7 e2022001- (2022)
• Modulation of Electrochemical and Spectroscopic Properties in Ru(II)-Terpyridyl End-Capped Homobimetallic Organometallic Complexes by Varying -Conjugated Organic Spacers Sil A., Roy S.S., Mishra V.K., Islam S.N., Mishra S., Patra S.K. By ChemistrySelect 7 - (2022)
• Selective and swift-responsive off-on rhodamine B based chemosensors: Recognition of multi-metal ions, on-site sensing of Fe(III) in water samples and bioimaging in aqueous media Battula H., Muduli S., Priyanka Bandi S., Kapoor S., Mishra S., Aggarwal H., Vamsi krishna Venuganti V., Jayanty S. By Journal of Photochemistry and Photobiology A: Chemistry 426 113748- (2022)
• Self-Assembling Behaviour of Perylene, Perylene Diimide, and Thionated Perylene Diimide Deciphered through Non-Covalent Interactions Parida S., Patra S. K., Mishra S. By ChemPhysChem 23 e2022003- (2022)
• Transition Metal Phthalocyanines as Redox Mediators in Li-O2Batteries: A Combined Experimental and Theoretical Study of the Influence of 3d Electrons in Redox Mediation Mandal S., Samajdar R.N., Parida S., Mishra S., Bhattacharyya A.J. By ACS Applied Materials and Interfaces 14 26714-26723 (2022)
• Spin-vibronic coupling in the quantum dynamics of a Fe(III) trigonal-bipyramidal complex Dakua K.K., Rajak K., Mishra S. By Journal of Chemical Physics 156 134103- (2022)
• Identification of potential inhibitors against FemX of Staphylococcus aureus: A hierarchial in-silico drug repurposing approach Rahman S., Rajak K., Mishra S., Das A.K. By Journal of Molecular Graphics and Modelling 115 - (2022)
• 7,7-bis(N, N-diethylethylenediamino)-8,8-dicyanoquinodimethane: Effect of Ethyl Moiety on the Photophysical Property besides Thermal Stability Syed A., Mishra S., Jayanty S. By Journal of Fluorescence 32 115-124 (2022)
• Distinct Tetracyanoquinodimethane Derivatives: Enhanced Fluorescence in Solutions and Unprecedented Cation Recognition in the Solid State Syed A., Battula H., Mishra S., Jayanty S. By ACS Omega 6 3090-3105 (2021)
• Pomegranate peel polyphenols prophylaxis against SARS-CoV-2 main protease by in-silico docking and molecular dynamics study Rakshit M., Muduli S., Srivastav P.P., Mishra S. By Journal of Biomolecular Structure and Dynamics - (2021)
• Synthesis, structural characterization, and bonding analysis of two-coordinate copper(i) and silver(i) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring -interactions Jha V.K., Das S., Subramaniyan V., Guchhait T., Dakua K.K., Mishra S., Mani G. By Dalton Transactions 50 8036-8044 (2021)
• Metal-Ion Promiscuity of Microbial Enzyme DapE at its Second Metal Binding Site A. Paul and S. Mishra Paul A., Mishra S. By Journal of Biological Inorganic Chemistry 569-582 (2021)
• Aging-Dependent Morphological Crystallinity Determines Membrane Activity of l -Phenylalanine Self-Assembles Banerjee P., Rajak K., Nandi P.K., Pal S., Ghosh M., Mishra S., Sarkar N. By Journal of Physical Chemistry Letters 11 8585-8591 (2020)
• Through bond energy transfer (TBET)-operated fluoride ion sensing: Via spirolactam ring opening of a coumarin-fluorescein bichromophoric dyad Padhan S.K., Mishra V.K., Murmu N., Mishra S., Sahu S.N. By RSC Advances 10 28422-28430 (2020)
• Role of Substituents at 3-position of Thienylethynyl Spacer on Electronic Properties in Diruthenium(II) Organometallic Wire-like Complexes Roy S.S., Chowdhury S.R., Mishra S., Patra S.K. By Chemistry - An Asian Journal 15 3304-3313 (2020)
• Correlation effects in the photoelectron spectrum and photoionization dynamics of OsO4 Manna S., Mishra S. By Physical Chemistry Chemical Physics 22 628-641 (2020)
• Flipped regiospecificity in L434F mutant of 8-lipoxygenase Mishra V.K., Mishra S. By Physical Chemistry Chemical Physics 22 16013-16022 (2020)
• C3-Thioester/-Ester Substituted Linear Dienones: A Pluripotent Molecular Platform for Diversification via Cascade Pericyclic Reactions Bankura A., Naskar S., Roy Chowdhury S., Maity R., Mishra S., Das I. By Advanced Synthesis and Catalysis 362 3604-3612 (2020)
• Light-Induced Spin Crossover in an Intermediate-Spin Penta-Coordinated Iron(III) Complex Roy Chowdhury S., Mishra S. By Journal of Physical Chemistry A 123 9883-9892 (2019)
• A Novel PEGylated Block Copolymer in New Age Therapeutics for Alzheimerâ s Disease Som Chaudhury S., Sannigrahi A., Nandi M., Mishra V.K., De P., Chattopadhyay K., Mishra S., Sil J., Das Mukhopadhyay C. By Molecular Neurobiology 56 6551-6565 (2019)
• Visible-Light-Activated Divergent Reactivity of Dienones: Dimerization in Neat Conditions and Regioselective e to Z Isomerization in the Solvent Naskar S., Roy Chowdhury S., Mondal S., Maiti D.K., Mishra S., Das I. By Organic Letters 21 1578-1582 (2019)
• Synthesis, Structure, Electrochemical, and Spectroscopic Properties of Hetero-Bimetallic Ru(II)/Fe(II)-Alkynyl Organometallic Complexes Sil A., Ghosh U., Mishra V.K., Mishra S., Patra S.K. By Inorganic Chemistry 58 1155-1166 (2019)
• QM/MM-MD Simulation of the Catalytic Hydrolysis of L-Captopril by Microbial Enzyme DapE Dutta D., Mishra V. K., Mishra S. By Journal of Indian Chemical Society 96 767-774 (2019)
• Spin-orbit vibronic coupling in Π 4 states of linear triatomic molecules Poluyanov L.V., Domcke W., Mishra S. By Journal of Chemical Physics 151 134103- (2019)
• Origin of Regio- And Stereospecific Catalysis by 8-Lipoxygenase Mishra V.K., Mishra S. By Journal of Physical Chemistry B 123 10605-10621 (2019)
• Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates Sil A., Roy Chowdhury S., Mishra S., Patra S.K. By Dalton Transactions 47 9877-9888 (2018)
• L-Captopril and its derivatives as potential inhibitors of microbial enzyme DapE: A combined approach of drug repurposing and similarity screening Dutta D., Mishra S. By Journal of Molecular Graphics and Modelling 84 82-89 (2018)
• Ab initio investigation of magnetic anisotropy in intermediate spin iron(iii) complexes Roy Chowdhury S., Mishra S. By Journal of Chemical Physics 149 234302- (2018)
• Electronic structure and photoelectron spectroscopy of manganese dihalides from quantum chemical methods and Dyson orbitals Roy Chowdhury S., Manna S., Mishra S. By Chemical Physics 515 513-520 (2018)
• Diruthenium(ii)-capped oligothienylethynyl bridged highly soluble organometallic wires exhibiting long-range electronic coupling Saha Roy S., Sil A., Giri D., Roy Chowdhury S., Mishra S., Patra S.K. By Dalton Transactions 47 14304-14317 (2018)
• Vibronic structure and photoelectron angular distribution in the photoelectron spectrum of ICN Manna S., Mishra S. By Journal of Chemical Physics 149 204308- (2018)
• Synthesis and studies on gelation ability of phenol based maleate amphiphile and its application in nutraceutical release Kumar B.A., Chowdhury S.R., Mishra S., Nayak R.R. By Colloids and Surfaces A: Physicochemical and Engineering Aspects 537 310-317 (2018)
• Large Magnetic Anisotropy in Linear Co(II) Complexes: Ab Initio Investigation of Role of Ligand Field, Structural Distortion, and Conformational Dynamics Roy Chowdhury S., Mishra S. By European Journal of Inorganic Chemistry 659-668 (2017)
• Heavy ligand atom induced large magnetic anisotropy in Mn(II) complexes Roy Chowdhury S., Mishra S. By Physical Chemistry Chemical Physics 19 16914-16922 (2017)
• Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation Mishra S., Dutta D. By Journal of Physical Chemistry B 121 7075-7085 (2017)
• Specific Inhibition of beta-Secretase Processing of the Alzheimer Disease Amyloid Precursor Protein Halima S., Mishra S. , Raja K. , Willem M. , Baici A. , Simons K. , Brustle O. , Koch P. , Haas C. , Caflisch A. , Rajendran L. By Cell Reports 14 2127-2141 (2016)
• Structural and mechanistic insight into the substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme Dutta D., Mishra S. By Physical Chemistry Chemical Physics 18 1671-1680 (2016)
• QM/MM Simulation of the Amide-I Band in the Raman Spectrum of Insulin Tah B., Dutta D. , Pal P. , Talapatra G. , Mishra S. By Molecular Physics 114 1939-1951 (2016)
• Carboxylate Coordination Assisted Aggregation for Quasi- Tetrahedral and Partial- Dicubane [Cu4] Coordination Clusters Mahapatra T. S., Bauza A. , Dutta D. , Mishra S. , Fontera A. , Ray D. By Chemistry Select 1 64-75 (2016)
• Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation Dutta D., Mishra S. By Journal of Physical Chemistry B 120 11654-11664 (2016)
• The Role of Spin-Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN2+ (X = Cl, Br, and I) Manna S., Mishra S. By Journal of Physical Chemistry A 120 1554-1561 (2016)
• Structural diversity of copper(I) complexes formed by pyrrole- and dipyrrolylmethane-based diphosphine ligands with Cu-X...HN hydrogen bonds Kumar S., Mani G. , Dutta D. , Mishra S. By Inorg. Chem. 53 700-709 (2014)
• Interaction of insulin with anionic phospholipid (DPPG) vesicles Tah B., Pal P. , Mishra S. , Talapatra G. B. By Physical Chemistry Chemical Physics 16 3987-3991 (2014)
• The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method D., Mishra S. By Physical Chemistry Chemical Physics 16 - (2014)
• Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin Tah B., Pal P. , Dutta D. , Mishra S. , Ghosh M. , Talapatra G. B. By Spectrochim. Acta A 129 345-351 (2014)

Principal Investigator

• Cooperativity in ligand migration in a dimeric microbial hemoglobin
• Chemical dynamics and relativistic effects in the excited states of small molecules with heavy atoms
• Catalytic hydrolysis by a microbial enzyeme with potential of an antibiotic target
• Conformational Dynamics, Substrate Specificity and Catalytic Mechanism of Lipoxygenases
• Nonadiabatic Dynamics of Spin Crossover in Transition Metal Complexes