Designation: Assistant Professor
Department: Chemistry and Chemical Biology
Email: asmita[at]iitism[dot]ac[dot]in
Contact Number:
Personal Page: Click Here
Research Interest: Bioinorganic Chemistry, Understanding The Reaction Mechanism Of Metalloenzymes And Bioinspired Synthetic Model Complexes, Understanding The Kinetics Of Various Biologically Important Reactions, Characterization Of Intermediates Involved In The Catalytic Cycle Of Metalloenzymes Using Advanced Spectroscopic Techniques, Mechanistic Investigation Of Electrochemical Reactions By Metalloenzymes And Synthetic Model Complexes, Analysis Of Reaction Mechanism Using Density Functional Theory Calculation.
Postdoctoral Research Scholar at Stanford University (1st March 2020 - 31st March 2023)
1. Tuning the Type 1 Reduction Potential of Multicopper Oxidases: Uncoupling the Effects of Electrostatics and H-Bonding to Histidine Ligands
Asmita Singha, Alina Sekretareva, Lizhi Tao, Hyeongtaek Lim, Yang Ha, Augustin Braun, Stephen M. Jones, Britt Hedman,§ Keith O. Hodgson, R. David Britt, Daniel J. Kosman*, Edward I. Solomon*
J. Am. Chem. Soc., 2023, 145, 24, 13284−13301 [https://doi.org/10.1021/jacs.3c03241]
2. Oxygen Reduction by Iron Porphyrins with Covalently Attached Pendent Phenol and Quinol.
Asmita Singha, Arnab Mondal, Abhijit Nayek, Somdatta Ghosh Dey, and Abhishek Dey*
J. Am. Chem. Soc., 2020, 142, 52 21810−21828 [https://doi.org/10.1021/jacs.0c10385]
3. Resonance Raman Spectroscopy and Density Functional Theory Calculations on Ferrous Porphyrin Dioxygen Adducts with Different Axial Ligands: Correlation of Ground State Wave Function and Geometric Parameters with Experimental Vibrational Frequencies
Asmita Singha, Pradip Kumar Das, and Abhishek Dey*
Inorg. Chem., 2019, 58, 16, 10704−10715 [https://doi.org/10.1021/acs.inorgchem.9b00656]
4. Mechanism of Reduction of Ferric Porphyrins by Sulfide: Identification of a Low Spin FeIII−SH Intermediate
Kaustuv Mittra,# Asmita Singha,# and Abhishek Dey* [# Both the authors contributed equally.]
Inorg. Chem., 2017, 56, 7, 3916−3925 [https://doi.org/10.1021/acs.inorgchem.6b02878]
5. Hydrogen atom abstraction by synthetic heme ferric superoxide and hydroperoxide species
Asmita Singha and Abhishek Dey*
Chem. Commun., 2019, 55, 5591-5594 [https://doi.org/10.1039/C9CC01423C]
6. Effect of hydrogen bonding on innocent and noninnocent axial ligands bound to iron porphyrins
Asmita Singha, Kaustuv Mittra and Abhishek Dey*
Dalton Trans., 2019, 48, 7179-7186 [https://doi.org/10.1039/C8DT03852J]
7. Nitrogen hybridization controls peroxo-oxo equilibrium in ethylenediamine bound binuclear [Cu2O2] complexes
Asmita Singha, Atanu Rana, Abhishek Dey⁎
Inorganica Chimica Acta, 2019, 487, 63-69 [https://doi.org/10.1016/j.ica.2018.11.026]
8. Second sphere control of spin state: Differential tuning of axial ligand bonds in ferric porphyrin complexes by hydrogen bonding
Kaustuv Mittra, Kushal Sengupta, Asmita Singha, Sabyasachi Bandyopadhyay, Sudipta Chatterjee, Atanu Rana, Subhra Samanta, Abhishek Dey⁎
Journal of Inorganic Biochemistry, 2016, 155, 82–91 [https://doi.org/10.1016/j.jinorgbio.2015.11.013]
9. Iron porphyrins with a hydrogen bonding cavity: effect of weak interactions on their electronic structure and reactivity
Kaustuv Mittra, Asmita Singha, and Abhishek Dey *
Dalton Trans., 2016, 45, 18796-18802 [https://doi.org/10.1039/C6DT03597C]
10. Synthetic heme dioxygen adducts: electronic structure and reactivity
Asmita Singha, Kaustuv Mittra and Abhishek Dey*
Trends in Chemistry, 2022, 4, 1, 15-31 [https://doi.org/10.1016/j.trechm.2021.10.008]
11. Tailor made iron porphyrins for investigating axial ligand and distal environment contributions to electronic structure and reactivity
Sk Amanullah, Asmita Singha, Abhishek Dey*
Coordination Chemistry Reviews, 2019, 386, 183–208 [https://doi.org/10.1016/j.ccr.2019.01.021]
12. Bioinspired Electrocatalysis for the Oxygen Reduction Reaction.
Abhishek Dey*, Asmita Singha
Encyclopedia of interfacial chemistry: surface science and electrochemistry, 2018, 373-383
13. Interplay of Electronic Cooperativity and Exchange Coupling in Regulating the Reactivity of Diiron(IV)-oxo Complexes towards C−H and O−H Bond Activation
Dr. Azaj Ansari, Mursaleem Ansari, Asmita Singha, Prof. Gopalan Rajaraman*
Chem. Eur. J., 2017, 23, 10110 – 10125 [https://doi.org/10.1002/chem.201701059]
14. Oxygen reduction reaction by metalloporphyrins
Kaustuv Mittra, Subhra Samanta, Asmita Singha, Kushal Sengupta, Sudipta Chatterjee
Oxygen Reduction Reaction: Fundamentals, Materials, and Applications, 2022, pp. 45–77
