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Publications
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173. Suman Patra, Souvik Dinda, Soumili Ghosh, and Abhishek Dey Synthesis of ethane from CO2 by a methyl transferase–inspired molecular catalyst
Proc. Natl. Acad. Sci. 2025,122 (2) e2417764122
172. Paramita Saha, Sk Amanullah, Sudip Barman, Abhishek Dey* Electrochemical Reduction of CO2 to CH3OH Catalyzed by an Iron Porphyrinoid
J. Am. Chem. Soc. 2025, 147, 2
171. Abhijit Nayek, Rabin Kumar Poria, Md Estak Ahmed, Suman Patra, Somdatta Ghosh Dey,* Abhishek Dey* Hydrogen Oxidation by Bioinspired Models of [FeFe]-Hydrogenase
ACS Org. Inorg. Au 2024 (accepted)
170. Suman Patra, Soumili Ghosh, Soumya Samanta, Abhijit Nayek, Abhishek Dey Second Sphere Control of CO2 Reduction Selectivity by Iron Porphyrins: The role of spin state
J. Om. Chem. 2025, 1023, 123439
169. S. Dinda, T. Roy, S. Samanta, K. Banerjee, N. Cox, A. Dey Proton-Coupled Electron Transfer between a Pendant Thiol and a Ferrous Dioxygen Adduct
Inorg. Chem. 2024 (accepted)
168. Md E. Ahmed, P.Das, Sk M. Ahamed, S. Chattopadhyay, A. Nayek, M. Mondal, S. Malik, A.Dey Amplifying Reactivity of Bio-Inspired [FeFe]-Hydrogenase Mimics by Organic Nanotubesm.
Chem Euro J. 2024, e202403011 (6th SABIC special issue)
167. S. Patra, S. Bhunia, S. Ghosh, A. Dey Outer-Coordination Sphere Interaction in a Molecular Iron Catalyst Allows Selective Methane Production from Carbon Monoxide
ACS Catalysis, 2024, 7299-7307
166. S Patra, S Atta, S Ghosh, A Majumdar, A Dey Kinetic Isotope Effect Offers Selectivity in CO2 Reduction
Chem. Comm., 2024, (advance article)
165. A. Nayek, S. Dey, S. Patra, A. Rana, P. N. Serrano, S. J. George, S. P. Cramer, S. G. Dey, A. Dey Facile Electrocatalytic Proton Reduction by a [Fe-Fe]-Hydrogenase Bio-Inspired Synthetic Model Bearing a Terminal CN- Ligand
Chem. Sci., 2024, 15 (6), 2167-2180
164. S. Samanta, S. Sengupta, S.i Biswas, S. Ghosh, S. Barman, A. Dey Iron Dioxygen Adduct Formed during Electrochemical Oxygen Reduction by Iron Porphyrins Shows Catalytic Heme Dioxygenase Reactivity
J. Am. Chem. Soc. 2023, 145, 48
163. P Saha, S Barman, S Amanullah, A Dey Selective Electrocatalytic Reduction of NO to NH3 by Iron Porphyrins at Physiologically Relevant Potentials
ACS Catalysis 2023, 13, 20
162. S. Jana, P. De, C. Dey, S. Ghosh Dey, A. Dey, S. Sen Gupta Highly regioselective oxidation of C–H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex
Chem. Sci. 2023, 14, 10515-10523
161. A. Sarkar, S. Bhakta, S. Chattopadhyay, A. Dey Role of distal arginine residue in the mechanism of heme nitrite reductases
Chem. Sci. 2023, 14, 7875-7886
160. A. Dey Bimetallic Cooperativity and Hydrogen Bonding Allow Efficient Reduction of CO2
Angew. Chem.Int. Ed. 2023, (accepted article) DOI:10.1002/anie.202301760
159. A. Bhattacharya, A. K. Nath, A. Ghatak, A. Nayek, S. Dinda, R. Saha, S. Ghosh Dey, A. Dey Reduction of Sulfur Dioxide to Sulfur Monoxide by Ferrous Porphyrin
Angew. Chem.Int. Ed. 2023, 62,e202215235
158. S Bhunia, A Ghatak, A Rana, A Dey Amine Groups in the Second Sphere of Iron Porphyrins Allow for Higher and Selective 4e–/4H+ Oxygen Reduction Rates at Lower Overpotentials
J. Am. Chem. Soc. 2023, 145, 3812-3825
157. S Chattopadhyay, S Samanta, A Sarkar, A Bhattacharya, S Patra, A Dey Silver Nanostructure Modified Graphite Electrode for In-operando SERRS Investigation of Iron Porphyrins during High Potential Electrocatalysis
J. Chem. Phys. 2023, 158, 044201
156. A. Ghatak, S. Samanta, A. Nayek, S. Mukherjee, S. Ghosh Dey, A Dey Second-Sphere Hydrogen-Bond Donors and Acceptors Affect the Rate and Selectivity of Electrochemical Oxygen Reduction by Iron Porphyrins
Inorg. Chem. 2022, 61, 33, 12931–12947.
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155. Nayek, A.; Ahmed, Md. E.; Samanta, S; Patra, S.; Dey, S. G.; Dey, A Bioinorganic Chemistry on Electrodes: Methods to Functional Modeling
J. Am. Chem. Soc. 2022 144, 19, 8402–8429.
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154. Amanullah, Sk; Saha, P.; A. Dey Recent Developments in Synthesis of Bio-Inspired Iron Porphyrins for Small Molecule Activations
Chem. Comm. 2022 58, 5808 - 5828.
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153. S. Bhunia, A. Ghatak, A. Dey Second Sphere Effects on Oxygen Reduction and Peroxide Activation by Mononuclear Iron Porphyrins and Related Systems
Chem. Rev. 2022 122, 14, 12370–12426 doi.org/10.1021/acs.chemrev.1c01021
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152. A Sarkar, S Chattopadhyay, M Mukherjee, SG Dey, A Dey Assembly of redox active metallo-enzymes and metallo-peptides on electrodes: Abiological constructs to probe natural processes
Current Opinion in Chemical Biology 2022, 68, 102142
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151. Md E. Ahmed, A. Nayek, A. Križan, N. Coutard, A. Morozan, S. G. Dey, R. Lomoth, L. Hammarström, V. Artero, A.Dey A Bidirectional Bioinspired [FeFe]-Hydrogenase Model
J. Am. Chem. Soc. 2022, 144, 8
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150. P Saha, S Amanullah, A Dey* Selectivity in Electrochemical CO2 Reduction
Accounts of chemical research, 2022, 11214-11217
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149. A. Singha, K. Mittra, A. Dey* Synthetic heme dioxygen adducts: electronic structure and reactivity
Trends in Chemistry 2021 4 (1), 15-31
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148. Sk Amanullah , P. Saha, A. Dey* O2 Reduction by Iron Porphyrins with Electron Withdrawing Groups: To Scale or not to Scale
Faraday Discuss., 2021, DOI: 10.1039/D1FD00076D
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147. A. Sarkar; M. Roy; S. G. Dey; A. Dey * Iron and Manganese Biomimetic Compounds.
In Comprehensive Coordination Chemistry III; Constable, E. C., Parkin, G., Que Jr, L., Eds., Vol. 5, Elsevier, 2021; pp 774–823. https://dx.doi.org/10.1016/B978-0-08-102688-5.00035-0
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146. Sk Amanullah, P. Saha, A. Dey* Activating Fe(I) State of Iron Porphyrinoid with 2nd Sphere Proton Transfer Residues for Selective Reduction of CO2 to HCOOH via Fe(III/II)−COOH Intermediate(s)
J. Am. Chem. Soc. 2021 143 (34), 13579-13592 10.1021/jacs.1c04392
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145. S. Chattopadhyay, M. Mukherjee, B. Kandemir, S. Bowman, K. L Bren*, A. Dey* Contributions to Cytochrome c Inner- and Outer-Sphere Reorganization Energy
Chem. Sci. 2021 12 (35), 11894-11913 https://doi.org/10.1039/D1SC02865K
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144. M. Mukherjee, A. Dey* Rejigging Electron and Proton Transfer to Transition between Dioxygenase, Monooxygenase, Peroxygenase and Oxygen Reduction Activity: Insights from Bio-Inspired Constructs of Heme Enzymes
JACS Au 2021 (9), 1296-1311
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143. S. Chattopadhyay, A, Ghatak, Y. Ro, R. Guillot, Z. Halime, A. Aukauloo*, A. Dey* Ligand Radical Mediated Water Oxidation by a Family of Copper o-Phenylene Bis-Oxamidate Complexes
Inorg. Chem. 2021 60, 9442−9455.
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142. S. Bhunia, A. Rana, S. Hematian, K. Karlin*, A. Dey* Proton Relay in Iron porphyrins for Hydrogen Evolution Reaction
Inorg. Chem. 2021 (Forum on Small Molecule activation) 10.1021/acs.inorgchem.1c01079
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141. B. Mondal, P. Sen, A. Dey* Proton reduction in the presence of oxygen by iron porphyrin enabled with 2nd sphere redox active ferrocenes
Chinese Journal of Catalysis 2021, 42, 1327-1331
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140. Md E. Ahmed, D. Saha, L. Wang, M. Gennari, S. G. Dey, V. Artero*, A. Dey*, C. Duboc* An [FeFe]-Hydrogenase Mimic Immobilized through Simple Physiadsorption and Active for Aqueous H2 Production
ChemElectroChem 2021, 8, 1674-1677 (Sp. Issue in memory of Prof. J. M-. Savéant)
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139. M. Roy, I. Pal, C. Dey, A. Dey, S. G. Dey Electronic structure and reactivity of heme bound insulin
J. Porph. Phthal. 2021 25, 511-521 (Dedicated to Professor T. K. Chandrashekar on the occasion of his 65th birthday)
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138. S Amanullah, P Saha, A Nayek, ME Ahmed, A Dey Biochemical and artificial pathways for the reduction of carbon dioxide, nitrite and the competing proton reduction: effect of 2 nd sphere interactions in catalysis
Chem. Soc. Rev. 2021, 50, 3755-3823 DOI: 10.1039/D0CS01405B
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137. S. Chattopadhyay, S. Bandyopadhyay, A. Dey Kinetic Isotope Effects on Electron Transfer Across Self-Assembled Monolayers on Gold
Inorg. Chem. 2021 10.1021/acs.inorgchem.0c02185
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136. S. Scott, H. Zhao, A. Dey, T. B. Gunnoe Editorial Nano-Apples and Orange-Zymes
ACS Catalysis 2020, 10, 23, 14315-14317
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135. A. Nath, A, Ghatak, A. Dey, SG Dey Intermediates Involved in Serotonin Oxidation Catalyzed by Cu bound Aβ Peptides
Chemi. Sci. 2021 DOI: 10.1039/D0SC06258H
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134. A. Singha, A. Mondal, A. Nayek, S. Dey*, A. Dey* Oxygen Reduction By Iron Porphyrins with Covalently Attached Pendent Phenol and Quinol
J. Am. Chem. Soc. 2020, DOI:10.1021/jacs.0c10385
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133. B. Mondal, S. Chattopadhyay, S. Dey, A. Mahammed, K. Mittra, A. Rana, Z. Gross*, A. Dey* Elucidation of Factors That Govern the 2e-/2H+ vs. 4e-/4H+ Selectivity of Water Oxidation by a Cobalt Corrole
J. Am. Chem. Soc. 2020 (doi: 10.1021/jacs.0c08654)
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132. A. Dey, T. B. Gunnoe, V. R. Stamenkovic Editorial: Organic Electrosynthesis: When Is It Electrocatalysis?
ACS Catal. 2020, 10, 21
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131. P. Das, Pradip; S. Bhunia, P. Chakraborty, S. Chatterjee, A. Rana, K. Peramaiah, M. Alsabban, I. Dutta, A. Dey*, K-W Huang* Electrocatalytic Water Oxidation by a Phosphorus-Nitrogen O=PN3-Pincer Cobalt Complex
Inorg. Chem. 2020 10.1021/acs.inorgchem.0c02376
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130. M. E. Ahmed, S. Adam, D. Saha, J. Fize, V. Artero*, A. Dey*, C. Duboc* Repurposing a Bio-inspired NiFe Hydrogenase Model for CO2 Reduction with Selective
Production of Methane as the Unique C-based Product
ACS Energy Lett. 2020, 5, XXX
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129. S Bhunia, A Rana, SG Dey, A Ivancich*, A Dey* A Designed Second-sphere Hydrogen-bond Interaction that Critically Influences the O–O Bond Activation for Herolytic
Cleavage in Ferric Iron–Porphyrin Complexes
Chem. Sci. 2020, 11, 2681-2695.
 
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128. Ghatak, A.; Bhunia, S.; Dey. A.* Effect of Pendant Distal Residues on the Rate and Selectivity of Electrochemical Oxygen Reduction Reaction Catalyzed by Iron Porphyrin Complexes
ACS Catal. 2020, 10,
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127. P. Saha, Sk Amanullah, A. Dey* Electrocatalytic Reduction of Nitrogen to Hydrazine Using a Trinuclear Nickel Complex
J. Am. Chem. Soc. 2020 142, 41, 17312–17317
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126. S. Mukherjee, A. Nayek, S. Bhunia, S. G. Dey, A. Dey* A Single Iron Porphyrin Shows pH Dependent Switch between Push and Pull Effects in Electrochemical
Oxygen Reduction
Inorg. Chem. 2020, 59, 14564−14576
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125. M. Mukherjee, A. Dey* A Heterogeneous Bio-Inspired Peroxide Shunt for Catalytic Oxidation of Organic Molecules
Chem. Comm. 2020, 56, 11593-11596
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124. M. Mukherjee, A. Dey* Catalytic C–H Bond Oxidation Using Dioxygen by Analogues of Heme Superoxide
Inorg. Chem. 2020, 59, 11
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123. ME Ahmed, A Rana, R Saha, S Dey, A Dey* Homogeneous Electrochemical Reduction of CO2 to CO by a Cobalt Pyridine Thiolate Complex
Inorg. Chem. 2020 59, 5292-5302
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122. S Amanullah, A Dey* The Role of Porphyrin Peripheral Substituents in Determining the Reactivities of Ferrous Nitrosyl Species
Chem. Sci. 2020, 11, 5909-5921  Chem Sci Pick of the Week
 
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121. A. Singha, P. K. Das, A. Dey* 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
Inorg. Chem. 2019, 58,
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120. S Bhakta, A Nayek, B Roy, A Dey* Induction of Enzyme-like Peroxidase Activity in an Iron Porphyrin Complex Using Second Sphere Interactions
Inorg. Chem. 2019 58, 2954-2964
 
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119. A. Rana, Sk Amanullah, P. K. Das, A. B. McQuarters, N. Lehnert*, A. Dey* Formally Ferric Heme Carbon Monoxide Adduct
J. Am. Chem. Soc. 2019,141, 5073–5077.
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118. P Sen, B Mondal, D Saha, A Rana, A Dey* Role of 2nd sphere H-bonding residues in tuning the kinetics of CO2 reduction to CO by iron porphyrin complexes
Dalton Trans. 2019, 48, 5965-5977
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117. A Ghatak, S Bhakta, S Bhunia, A Dey* Influence of the Distal Guanidine Group on the Rate and Selectivity of O2 Reduction by Iron Porphyrin
Chem. Sci. 2019, 10, 9692-9698.
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116. I Pal, AK Nath, M Roy, M Seal, C Ghosh, A Dey*, SG Dey* Formation of compound I in heme bound Aβ-peptides relevant to Alzheimer's disease
Chem. Sci. 2019, 10, 8405-8410
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115. A Singha, K Mittra, A Dey* Effect of Hydrogen Bonding on Innocent and Non-innocent Axial Ligands Bound to Iron Porphyrins
Dalton Trans. 2019 48, 7179-7186.
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114. M. Mukherjee, A. Dey* Electron Transfer Control of Reductase versus Monooxygenase: Catalytic C–H Bond Hydroxylation and Alkene Epoxidation by Molecular Oxygen
ACS Cent. Sci. 2019 671-682 Highlighted in web based theme issue Bioinspired Catalysis
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113. B. Mondal, P. Sen, A. Rana, D. Saha, P. Das, A. Dey* Reduction of CO2 to CO by an Iron Porphyrin Catalyst in the Presence of Oxygen
ACS Catal. 2019, 9, 3895-3899
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112. Sk Amanullah, P. Saha. R. Saha, A. Dey* Synthetic Iron Porphyrins for Probing the Differences in Electronic Structures of Heme a3, Heme d and Heme d1
Inorg. Chem. 2019, 58, 152–164
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111. Singha, A.; Dey, A. Hydrogen Atom Abstraction by Synthetic Heme Ferric Superoxide and Hydroperoxide Species.
Chem. Comm. 2019, 55, 5591-5594.
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110. Md. E. Ahmed, A. Dey* Recent Developments In Bio-Inspired Modelling of [NiFe]- and [FeFe]- Hydrogenases
Curr. Op. Electrochem. 2019, 15, 155-164. Invited perspective
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109. Sk Amanulla, A. Dey* A bi-functional Cobalt-porphyrinoid Electrocatalyst: Balance Between Overpotential and Selectivity
J. Biol. Inorg. Chem. 2019, 24, 437. AsBIC-9 spl issue
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108. A. Sarkar, K. Sengupta, S. Chatterjee, M. Seal, P. Faller*, S. G. Dey*, A. Dey* Metal Binding to Aẞ Peptides inhibites interaction with Cytochrome c : Insights from Abiological Constructs
ACS Omega 2018, 3,13994-14003
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107. S. Mukherjee, M. Mukherjee, A. Mukherjee, A. Bhagi-Damodaran, Yi Lu*, A. Dey* O2 Reduction by Biosynthetic Models of Cytochrome c Oxidase: Insights into Role of Proton Transfer Residues from Perturbed Active Sites Models of CcO
ACS Catal. 2018, 8, 8915–8924
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106. S Amanullah, A Singha, A Dey* Tailor made Iron Porphyrins for Investigating Axial Ligand and Distal Environment Contributions to Electronic Structure and Reactivity
Coord. Chem. Rev. 2019, 386, 183-208 Invited review article
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105. A Singha, A Rana, A Dey* Nitrogen Hybridization Controls Peroxo-oxo Equilibrium in Ethylenediamine Bound Binuclear [Cu2O2] Complexes
Inorg. Chim. Act. 2019, 487, 63-69 Special Issue celebrating Prof. RN Mukherjee's 65th birthday.
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104. Md E. Ahmed, S. Chattopadhyay, L. Wang, D. Brazzolotto, D. Pramanik, D. Aldakov, J. Fize, A. Morozan, M. Gennari, C. Duboc*, A. Dey*, V. Artero* Hydrogen Evolution from Aqueous Solution Mediated by a Heterogenized [NiFe]‐hydrogenase Model: low pH Enables Catalysis through Enzyme‐relevant Mechanism.
Angew. Chem. Intl. Ed. 2018, 57, 16001 –16004
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103. Md E. Ahmed, S. Dey, M. Y. Darensbourg*, A. Dey* Oxygen-Tolerant H2 Production by [FeFe]-H2ase Active Site Mimics Aided by Second Sphere Proton Shuttle
J. Am. Chem. Soc. 2018, 140, 12457–12468.
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102. S. Bhunia, A. Rana, P. Roy, D. J. Martin, M. L. Pegis, B. Roy, A. Dey* Rational Design of Mononuclear Iron-porphyrins for Facile and Selective 4e-/4H+ O2 Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding
J. Am. Chem. Soc. 2018, 140, 9444-9457.
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101. A. Rana, P.K. Das, B. Mondal, S. Dey, D. Crouthers, A. Dey* Investigation of Bridgehead Effects on Reduction Potential in Alkyl and Aryl Azadithiolate-bridged (µ-SRS)[Fe(CO)3]2 Synthetic Analogues of [FeFe]-H2ase Active Site
Eur. J. Inorg. Chem. 2018 32, 3633-3643
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100. S Dey, ME Ahmed, A Dey* Activation of Co (I) State in a Cobalt-Dithiolato Catalyst for Selective and Efficient CO2 Reduction to CO
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99. S Chattopadhyay, A Sarkar, S Chatterjee, A Dey* Functional Adlayers on Au Electrodes: Some Eecent Applications in Hydrogen Evolution and Oxygen Reduction
J. Mat. Chem. A 2018, 6, 1323-1339
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98. Md. Estak Ahmed, S. Dey, A. Dey* H2 Evolution Catalyzed by a FeFe-hydrogenase Synthetic Model Covalently Attached to Graphite Surfaces
Chem. Comm. 2017, 53, 8188.
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97. S Dey, B Mondal, S Chatterjee, A Rana, S Amanullah, A Dey* Molecular Electrocatalysts for the Oxygen Reduction Reaction
Nat. Rev. Chem. 2017, 1, 0098. Invited review article
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96. S. Chatterjee, K. Sengupta, B. Mondal, S. Dey, A. Dey Factors Affecting the Rate and Selectivity of O2 Reduction by Iron Porphyrin Complexes
Acc. Chem. Res. 2017, 50, 1744-1753 Invited
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95. B. Mondal, A. Dey* Development of Air-stable Hydrogen Evolution Catalysts
Chem. Comm. 2017, 53, 7707. Invited feature article.
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94. A. Banerjee, B. Mondal, A. Verma, V. R Satsangi, R. Shrivastav, A.Dey*, S. Das* Enhancing efficiency of Fe2O3 for robust and proficient solar water splitting using a highly dispersed bioinspired catalyst
J. Cat. 2017, 352, 83-92.
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93. S Mukherjee, M Mukherjee, S Bandyopadhyay, A Dey* Three Phases in pH Dependent Heme Abstraction from Myoglobin
J. Inorg. Biochem. 2017, 172, 80-87.
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92. K. Mittra, A. Singha, A. Dey* Mechanism of Reduction of Ferric Porphyrins by Sulfide: Identification of a Low Spin FeIII-SH Intermediate
Inorg. Chem. 2017, 56, 3916-3925.
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91. S. Pattanayak, A. J Jasniewski, A. Rana, A. Draksharapu, K. K Singh, A. Weitz, M. Hendrich, L. Que Jr*, A. Dey*, S. Sen Gupta* Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with FeV=O and FeIV=O Units
Inorg. Chem. 2017, 56, 6352-6361
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90. A Rana, B Mondal, P Sen, S Dey, A Dey* Activating Fe (I) Porphyrins for the Hydrogen Evolution Reaction Using Second-Sphere Proton Transfer Residues
Inorg. Chem. 2017, 56, 1783.
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89. B. Mondal, K. Mittra, A. Mahammed, Z. Gross*, A. Dey* Dioxygen Bound Cobal Corroles
Chem. Comm. 2017, 53, 877-880
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88. A Dey The Way Forward in Molecular Electrocatalysis
Inorg. Chem. 2016, 55, 10831-10834 Editorial for the Virtual issue The Way Forward in Molecular Electrocatalysis
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87. K Sengupta, S Chatterjee, A Dey* In Situ Mechanistic Investigation of O2 Reduction by Iron Porphyrin Electrocatalysts Using Surface-Enhanced Resonance Raman Spectroscopy Coupled to Rotating Disk Electrode (SERRS-RDE) Setup
ACS Catal. 2016, 6 , 6838-6852 Invited perspective
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86. A Rana, A Dey* Theoretical Exploration of the Mechanism of FormylmethanofuranDehydrogenase: the First Reductive Step in CO2 Fixation by Methanogens
J. Biol. Inorg. Chem. 2016, 21, 703-713.
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85. P. K. Das, S. Samanta, A. B. McQuarters, N. Lehnert*, A. Dey* Valence Tautomerism in Synthetic Models of Cytochrome P450.
Proc. Natl. Acad. Sci. (USA) 2016, 113, 6613. Covered in Phys.org
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84. W. Schoefberger, F. Faschinger, S. Chattopadhyay, S. Bhakta, B. Mondal, J. Elemans, S. Muellegger, S. Tebi, R. Koch, F. Klappenberger, M. Paszkiewicz, J. V. Barth, E. Rauls, H. Aldahhak, W. G. Schmidt, A Dey* A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water
Angew. Chem. Int. Ed. 2016, 55, 2350-2355. Judged "Hot Article"
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83. K. Sengupta, S. Chatterjee, A Dey* Catalytic H2O2 Disproportionation and Electrocatalytic O2 Reduction by a Functional Mimic of Heme Catalase: Direct Observation of Compound 0 and Compound I In-Situ
ACS Catal. 2016, 6, 1382 ACS Editor's Choice Article
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82. S. Chatterjee, K. Sengupta, S. Bandyopadhyay, A Dey*, Ammonium Tetrathiomolybdate as a Novel Electrode Material for Convenient Tuning of the Kinetics of Electrochemical O2 Reduction by using Iron-porphyrin Catalysts
J. Mat. Chem. A 2016, 4, 6819-6823.
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81. K. Mittra, K. Sengupta, A. Singha, S. Bandyopadhyay, S. Chatterjee, A. Rana, S. Samanta, A Dey* Second sphere control of spin state: Differential tuning of axial ligand bonds in ferric porphyrin complexes by hydrogen bonding
J. Inorg. Biochem. 2016, 155, 82-91.
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80. S. Mukherjee, A. Bhagi, A. Mukherjee, M. Mukherjee, Y. Lu*, A Dey*, A Biosynthetic Model of Cytochrome c Oxidase as an Electrocatalyst for Oxygen Reduction
Nat. Commun. 2015, 6, 8467.
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79. S. Chatterjee, K. Sengupta, S. Hematian, K. D. Karlin*, A. Dey* Electrocatalytic O2 reduction by Synthetic Cytochrome c Oxidase Mimics: Identification of a Bridging Peroxo Intermediate Involved in Facile 4e-/4H+ O2-Reduction
J. Am. Chem. Soc. 2015, 137, 12897-12905.
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78. A. Rana, S. Dey. A. Agrawal, A Dey* Density functional theory calculations on the active site of biotin synthase: mechanism of S transfer from the Fe2S2 cluster and the role of 1st and 2nd sphere residues
J. Biol. Inorg. Chem. 2015, 20, 1147.
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77. S. Bandyopadhyay, S. Chattopadhyay, A Dey* Protonation State of Thiols in Self-Assembled Monolayers on Ag/Au Roughened Surfaces and Nanoparticles
Phys. Chem. Chem. Phys. 2015, 17, 24866 - 24873.
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76. B. Mondal, A. Rana, P. Sen, A Dey* Intermediates involved in 2e-/2H+ Reduction of CO2 to CO by Iron(0) porphyrins
J. Am. Chem. Soc. 2015, 137, 11214.
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75. Sk Amanullah, Pradip Kumar Das, Subhra Samanta and A Dey* Tuning the Thermodynamic Onset Potential of Electrocatalytic O2 Reduction Reaction by Synthetic Iron-Porphyrin Complexes.
Chem. Comm. 2015, 51, 10010-10013.
 
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74. S. Samanta, P. K. Das, S. Chatterjee, A. Dey*. Effect ofaxial ligands on electronic structure and O reduction by iron porphyrin complexes: Towards a quantitative understanding of the "push effect".
J. Porphyr. Phthalocya. 2015, 19, 92. Special issue dedicated to Prof. Sunichi Fukuzumi.
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73. S. Chatterjee, K.Sengupta, S. Samanta, P.K. Das, A Dey* Concerted Proton-Electron Transfer in Electrocatalytic O2 Reduction by Iron Porphyrin Complexes: Axial Ligands Tuning H/D Isotope Effect.
Inorg. Chem. 2015, 54, 2383-2392.
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72. S. Bandyopadhyay, A. Rana, K. Mittra, S. Samanta, K. Sengupta, A Dey* Effect of Axial Ligand, Spin State, and Hydrogen Bonding on the Inner-Sphere Reorganization Energies of Functional Models of Cytochrome P450
Inorg.Chem. 2014, 53, 10150-10158.
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71. Sudipta Chatterjee, Kushal Sengupta, A Dey: Tetrathiomolybdate modified Au electrodes: convenient tuning of the kinetics of electron transfer and its application in electrocatalysis. arXiv.org, e-Print Archive, Condensed Matter 2014, 1-40, arXiv:1409.3084v1.
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70. S. Mukherjee, S. Bandyopadhyay, S. Chatterjee, A. Dey* Electrocatalytic O2 reduction by a monolayer of hemin: the role of pKa of distal and proximal oxygen of a FeIII-OOH species in determining reactivity.
Chem. Comm. 2014, 50, 12304-12307.
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69. P. K. Das, A Dey* Resonance Raman, Electron Paramagnetic Resonance, and Density Functional Theory Calculations of a Phenolate-Bound Iron Porphyrin Complex: Electrostatic versus Covalent Contribution to Bonding.
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68. S. Dey, A. Rana, D. Crouthers, B. Mondal, P. K.r Das, M. Y Darensbourg*, A. Dey* Electrocatalytic O2 Reduction by [Fe-Fe]-Hydrogenase Active Site Models.
J. Am. Chem. Soc. 2014, 136, 8847-8850.
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67. S. Bandyopadhyay, A, Dey* Convenient detection of the thiol functional group using H/D isotope sensitive Raman spectroscopy.
Analyst 2014, 139, 2118 - 2121. Hot Article
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66. K. Sengupta, S. Chatterjee, S. Mukherjee, S.G. Dey*, A. Dey* Heme bound amylin self-assembled monolayers on an Au electrode: an efficient bio-electrode for O2 reduction to H2O.
Chem. Comm. 2014, 50, 3806.
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65. S. Dey, B. Mondal, A. Dey* An Acetate Bound Cobalt Oxide Catalyst for Water Oxidation: Role of Monovalent Anions and Cations In Lowering Overpotential.
Phys. Chem. Chem. Phys. 2014, 16, 12221-12227.
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64. A. Mahammed, B. Mondal, A. Rana, A Dey*, Z. Gross* The cobalt corrole catalyzed hydrogen evolution reaction: surprising electronic effects and characterization of key reaction intermediates.
Chem. Comm. 2014, 50, 2725-2727.
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63. P. K. Das, K. Mittra, A. Dey* Spectroscopic characterization of a phenolate bound Fe(II)-O2 adduct: gauging the relative "push" effect of a phenolate axial ligand.
Chem. Comm. 2014, 48, 10535.
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62. K. Mittra, S. Chatterjee, S. Samanta, A Dey* Selective 4e-/4H+ O2 Reduction by an Iron(tetraferrocenyl)Porphyrin Complex: From Proton Transfer Followed by Electron Transfer in Organic Solvent to Proton Coupled Electron Transfer in Aqueous Medium.
Inorg. Chem. 2013, 52, 14317.
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61. S. Chatterjee, K.Sengupta, S. Dey, A. Dey* Ammonium Tetrathiomolybdate: A Versatile Catalyst for Hydrogen Evolution Reaction from Water under Ambient and Hostile Conditions.
Inorg. Chem. 2013, 52, 14168.
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60. S. Samanta, P. K. Das, S. Chatterjee, K. Sengupta, B. Mondal, A. Dey* O2 Reduction Reaction by Biologically Relevant Anionic Ligand Bound Iron Porphyrin Complexes.
Inorg. Chem. 2013, 52, 12963.
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59. S.Chatterjee, K.Sengupta, S.Samanta, P.K.Das, A. Dey* Electrocatalytic O2 Reduction Reaction by Synthetic Analogues of Cytochrome P450 and Myoglobin: In-Situ Resonance Raman and Dynamic Electrochemistry Investigations.
Inorg. Chem. 2013, 52, 9897.
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58. S. Bandyopadhyay, S. Mukherjee, A. Dey* Modular Synthesis, Spectroscopic Characterization and In-situ Functionalization using "click" Chemistry of Azide Terminated Amide Containing Self-Assembled Monolayers
RSC Adv. 2013, 3, 17174.
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57. S. Mukherjee, S. Bandyopadhyay, A. Dey* Tuning the Apparent Formal Potential of Covalently Attached Ferrocene Using SAM Bearing Ionizable -COOH Groups
Electrochim. Acta. 2013, 108, 624.
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56. K. Sengupta, S. Chatterjee, S. Samanta, A Dey* Direct observation of intermediates formed during steady-state electrocatalytic O2 reduction by iron porphyrins.
Proc. Natl. Acad. Sci. (USA) 2013, 110, 8431. Highlighted by Nature India
 
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55. S. Chatterjee, K.Sengupta, S.Bhattacharyya, A. Nandi, S.Samanta, K. Mittra, A. Dey* Photophysical and ligand binding studies of metalloporphyrins bearing hydrophilic distal superstructure.
J. Porph.Phthalo. 2013, 17, 210.
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54. B. Mondal, K. Sengupta, A. Rana, A.Mahammed, M. Botoshansky, S. Ghosh Dey, Z. Gross, A. Dey* Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory Calculations.
Inorg. Chem. 2013, 52, 3381.
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53. S. Dey, A. Rana, S. Ghosh Dey, A Dey* Electrochemical hydrogen production in acidic water by an azadithiolate bridged synthetic hydrogenese mimic: role of aqueous solvation in lowering overpotential
ACS Catal. 2013, 3, 429. Highlighted in Green Car congress.
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52. K. Sengupta, S. Chatterjee, S. Samanta, S. Bandyopadhyay, A. Dey* Resonance Raman and Electrocatalytic Behavior of Thiolate and Imidazole Bound Iron Porphyrin Complexes on Self Assembled Monolayers: Functional Modeling of Cytochrome P450.
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51. S. Samanta, K. Mittra, K. Sengupta, S. Chatterjee, A. Dey* Second Sphere Control of Redox Catalysis: Selective Reduction of O2 to O2- or H2O by an Iron Porphyrin Catalyst.
Inorg. Chem. 2013, 52, 1443.
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50. S. Dey, P. K. Das, A. Dey* Mononuclear iron hydrogenase.
Coord. Chem. Rev. 2013, 257, 42.
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49. P. K. Das, S. Chatterjee, S. Samanta, A. Dey* EPR, Resonance Raman, and DFT Calculations on Thiolate- and Imidazole-Bound Iron(III) Porphyrin Complexes: Role of the Axial Ligand in Tuning the Electronic Structure.
Inorg. Chem. 2012, 51, 10704-10714.
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48. K. Mittra, S. Chatterjee, S. Samanta, K. Sengupta, H. Bhattacharjee, A Dey* A hydrogen bond scaffold supported synthetic heme Fe(III)-O2- adduct.
Chem. Comm. 2012, 48, 10535.
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47. S.Mukherjee, K.Sengupta, M. R. Das, S. S Jana, A. Dey* Site-specific covalent attachment of heme proteins on self-assembled monolayers.
J. Biol. Inorg.Chem. 2012, 17, 1009-1023.
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46. S. Samanta, K. Sengupta, K. Mittra, S. Bandyopadhyay, A .Dey Selective four electron reduction of O2 by an iron porphyrin electrocatalyst under fast and slow electron fluxes.
Chem. Comm. 2012, 48, 7631-7633.
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45. D. Pramanik, K. Sengupta, S. Mukherjee, S. Ghosh Dey*, A. Dey* Self-assembled monolayers of Aβ peptides on au electrodes: An artificial platform for probing the reactivity of redox active metals and cofactors relevant to Alzheimer’s disease.
J. Am. Chem. Soc. 2012, 134, 12180.
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44. S.Ghosh Dey, A Dey NO and O2 reactivities of synthetic functional models of nitric oxide reductase and cytochrome c oxidase.
Dalton Trans. 2011, 40, 12633-12647. Invited perspective
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43. A Dey, Yi Peng, William E Broderick, Britt Hedman, Keith O Hodgson, Joan B Broderick, Edward I Solomon: S K-edge XAS and DFT calculations on SAM dependent pyruvate formate-lyase activating enzyme: nature of interaction between the Fe4S4 cluster and SAM and its role in reactivity. J. Am. Chem. Soc. 2011, 133, 18656.
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42. A Dey Density Functional Theory Calculations on the Fe2S2(Arg)(SCys)(SSCys)2 Cluster in HydE: Unique Electronic Structure and Redox Properties.
Inorg. Chem. 2011, 50, 397-399.
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41. A Dey Density functional theory calculations on the mononuclear non-heme iron active site of Hmd hydrogenase: role of the internal ligands in tuning external ligand binding and driving H2 heterolysis.
J. Am. Chem. Soc. 2010, 132, 13892.
 
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40. Ning Sun, Lei V Liu, A Dey, Gloria Villar-Acevedo, Julie A Kovacs, Marcetta Y Darensbourg, Keith O Hodgson, Britt Hedman, Edward I Solomon: S K-Edge X-Ray Absorption Spectroscopy and Density Functional Theory Studies of High and Low Spin {FeNO}(7) Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}(7) and {FeO(2)}(8). Inorganic Chemistry 2011, 50, 427.
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39. Ning Sun, A Dey, Zhiguang Xiao, Anthony G Wedd, Keith O Hodgson, Britt Hedman, Edward I Solomon: Solvation effects on S K-edge XAS spectra of Fe-S proteins: normal and inverse effects on WT and mutant rubredoxin. J. Am. Chem. Soc. 2010, 132, 12639.
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38. Ying Yang, A Dey, Richard A. Decreau: Spectroscopic Characterization and Competitive Inhibition Studies of Azide Binding to a Functional NOR Model. Eur. J. Inorganic Chemistry, 2010, 30, 4870-4874.
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37. Virender K. Sharma, Ria A. Yngard, Zoltan Homonnay, A Dey, Chun He: The Kinetics of the Interaction Between Iron(III)-Ethylenediaminetetraacetate and Peroxynitrite. Aquatic Geochemistry 2010, 16, 483.
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36. James P Collman, Somdatta Ghosh, A Dey, Richard A Decreau: Using a functional enzyme model to understand the chemistry behind hydrogen sulfide induced hibernation. Proceedings of the National Academy of Sciences 2009, 106, 22090.
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35. James P Collman, A Dey, Christopher J Barile, Somdatta Ghosh, Richard A Decreau: Inhibition of electrocatalytic O(2) reduction of functional CcO models by competitive, non-competitive, and mixed inhibitors. Inorganic Chemistry 2009, 48, 10528.
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34. Partha Halder, A Dey, Tapan Kanti Paine: Molecular and electronic structure of a nonheme iron(II) model complex containing an iron-carbon bond. Inorganic Chemistry 2009, 48, 11501.
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33. James P Collman, A Dey, Ying Yang, Somdatta Ghosh, Richard A Decr�au: O2 reduction by a functional heme/nonheme bis-iron NOR model complex. Proceedings of the National Academy of Sciences 2009, 106, 10528.
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32. A Dey, Yonging Jiang, Paul Ortiz de Montellano, Keith O Hodgson, Britt Hedman, Edward I Solomon: S K-edge XAS and DFT calculations on cytochrome P450: covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity. J. Am. Chem. Soc. 2009, 131, 7869.
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31. James P Collman, Richard A Decreau, Hengwei Lin, Ali Hosseini, Ying Yang, A Dey, Todd A Eberspacher: Role of a distal pocket in the catalytic O2 reduction by cytochrome c oxidase models immobilized on interdigitated array electrodes. Proceedings of the National Academy of Sciences 2009, 106, 7320.
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30. James P Collman, Somdatta Ghosh, A Dey, Richard A Decreau, Ying Yang: Catalytic reduction of O2 by cytochrome C using a synthetic model of cytochrome C oxidase. J. Am. Chem. Soc. 2009, 131, 5034.
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29. James P Collman, Richard A Decr�au, A Dey, Ying Yang: Water may inhibit oxygen binding in hemoprotein models. Proceedings of the National Academy of Sciences 2009, 106, 4101.
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28. Somdatta Ghosh, Xiangjin Xie, A Dey, Yan Sun, Charles P Scholes, Edward I Solomon: Thermodynamic equilibrium between blue and green copper sites and the role of the protein in controlling function. Proceedings of the National Academy of Sciences 2009, 106, 4969.
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27. Somdatta Ghosh, A Dey, Yan Sun, Charles P Scholes, Edward I Solomon: Spectroscopic and computational studies of nitrite reductase: proton induced electron transfer and backbonding contributions to reactivity. J. Am. Chem. Soc. 2009, 131, 277.
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26. James P Collman, A Dey, Ying Yang, Richard A Decr�au, Takehiro Ohta, Edward I Solomon: Intermediates involved in the two electron reduction of NO to N2O by a functional synthetic model of heme containing bacterial NO reductase. J. Am. Chem. Soc. 2009, 130, 16498.
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25. James P Collman, Ying Yang, A Dey, Richard A Decr�au, Somdatta Ghosh, Takehiro Ohta, Edward I Solomon: A functional nitric oxide reductase model. Proceedings of the National Academy of Sciences 2008, 105, 15660.
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24. James P Collman, A Dey, Richard A Decreau, Ying Yang, Ali Hosseini, Edward I Solomon, Todd A Eberspacher: Interaction of nitric oxide with a functional model of cytochrome c oxidase. Proceedings of the National Academy of Sciences 2008, 105, 9892.
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23. Edward I Solomon, Xiangjin Xie, A Dey: Mixed valent sites in biological electron transfer. Chemical Society Reviews 2008, 37, 623.
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22. James P Collman, A Dey, Richard A Decreau, Ying Yang: Model studies of azide binding to functional analogues of CcO. Inorganic Chemistry 2008, 47, 2916.
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21. A Dey, Kayla N Green, Roxanne M Jenkins, Stephen P Jeffrey, Marcetta Darensbourg, Keith O Hodgson, Britt Hedman, Edward I Solomon: S K-edge XAS and DFT calculations on square-planar NiII-thiolate complexes: effects of active and passive H-bonding. Inorganic Chemistry 2007, 46, 9655.
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20. A Dey, Francis E Jenney, Michael W W Adams, Elena Babini, Yasuhiro Takahashi, Keiichi Fukuyama, Keith O Hodgson, Britt Hedman, Edward I Solomon: Solvent tuning of electrochemical potentials in the active sites of HiPIP versus ferredoxin. Science 2007, 318, 1464.
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19. A Dey, Francis E Jenney, Michael W W Adams, Michael K Johnson, Keith O Hodgson, Britt Hedman, Edward I Solomon: Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on superoxide reductase: role of the axial thiolate in reactivity. J. Am. Chem. Soc. 2007; 129, 12418.
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18. Somdatta Ghosh, A Dey, Oleg M Usov, Yan Sun, Vladimir M Grigoryants, Charles P Scholes, Edward I Solomon: Resolution of the spectroscopy versus crystallography issue for NO intermediates of nitrite reductase from Rhodobacter sphaeroides. J. Am. Chem. Soc. 2007, 129, 10310.
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17. A Dey, Stephen P Jeffrey, Marcetta Darensbourg, Keith O Hodgson, Britt Hedman, Edward I Solomon: Sulfur K-edge XAS and DFT studies on NiII complexes with oxidized thiolate ligands: implications for the roles of oxidized thiolates in the active sites of Fe and Co nitrile hydratase. Inorganic Chemistry 2007, 46, 4989.
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16. Terutaka Kitagawa, A Dey, Priscilla Lugo-Mas, Jason B Benedict, Werner Kaminsky, Edward Solomon, Julie A Kovacs: A functional model for the cysteinate-ligated non-heme iron enzyme superoxide reductase (SOR). J. Am. Chem. Soc. 2006, 128, 14448.
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15. Edward I Solomon, Serge I Gorelsky, A Dey: Metal-thiolate bonds in bioinorganic chemistry. Journal of Computational Chemistry 2006; 27, 1415.
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14. A Dey, Taka-aki Okamura, Norikazu Ueyama, Britt Hedman, Keith O. Hodgson, Edward I. Solomon: Sulfur KEdge XAS and DFT Calculations on P450 ModelComplexes: Effects of Hydrogen Bonding on Electronic Structure and RedoxPotentials. J. Am. Chem. Soc. 2005, 127, 12046.
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13. Priscilla Lugo-Mas, A Dey, Liang Xu, Steven D Davin, Jason Benedict, Werner Kaminsky, Keith O Hodgson, Britt Hedman, Edward I Solomon, Julie A Kovacs: How does single oxygen atom addition affect the properties of an Fe-nitrile hydratase analogue? The compensatory role of the unmodified thiolate. J. Am. Chem. Soc. 2006, 128, 11211.
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12. A Dey, Rosalie K Hocking, Peter Larsen, Andrew S Borovik, Keith O Hodgson, Britt Hedman, Edward I Solomon: X-ray absorption spectroscopy and density functional theory studies of [(H3buea)FeIII-X]n- (X = S2-, O2-, OH-): comparison of bonding and hydrogen bonding in oxo and sulfido complexes. J. Am. Chem. Soc. 2006, 128, 9825.
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11. A Dey, Marina Chow, Kayoko Taniguchi, Priscilla Lugo-Mas, Steven Davin, Mizuo Maeda, Julie A Kovacs, Masafumi Odaka, Keith O Hodgson, Britt Hedman, Edward I Solomon: Sulfur K-edge XAS and DFT calculations on nitrile hydratase: geometric and electronic structure of the non-heme iron active site. J. Am. Chem. Soc. 2006, 128, 533.
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10. A Dey, Cara L Roche, Marc A Walters, Keith O Hodgson, Britt Hedman, Edward I Solomon: Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters: effects of H-bonding and structural distortion on covalency and spin topology. Inorganic Chemistry 2005, 44, 8349.
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9. Yuming Xiao, Hongxin Wang, Simon J George, Matt C Smith, Michael W W Adams, Francis E Jenney, Wolfgang Sturhahn, Ercan E Alp, Jiyong Zhao, Y Yoda, Abishek Dey, Edward I Solomon, Stephen P Cramer: Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance Raman spectroscopy. J. Am. Chem. Soc. 2005, 127, 14596.
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8. A Dey, Taka-aki Okamura, Norikazu Ueyama, Britt Hedman, Keith O Hodgson, Edward I Solomon: Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials. J. Am. Chem. Soc. 2005; 127, 12046.
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7. A Dey, Thorsten Glaser, Jose J-G Moura, Richard H Holm, Britt Hedman, Keith O Hodgson, Edward I Solomon: Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment. J. Am. Chem. Soc. 2005, 126, 16868.
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6. Edward I. Solomon, Britt Hedman, Keith O. Hodgson, A Dey, Robert K. Szilagyi: Ligand K-edge X-ray absorption spectroscopy: covalency of ligand-metal bonds. Coordination Chemistry Reviews 2005, 249, 97.
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5. A Dey, Thorsten Glaser, Manon M-J Couture, Lindsay D Eltis, R H Holm, Britt Hedman, Keith O Hodgson, Edward I Solomon: Ligand K-edge X-ray absorption spectroscopy of [Fe4S4]1+,2+,3+ clusters: changes in bonding and electronic relaxation upon redox. J. Am. Chem. Soc. 2004, 126, 8320.
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4. A Dey, T. Glaser, J. J.-G. Moura, R. H. Holm, B. Hedman, K. O. Hodgson, E. I. Solomon: Ligand Kedge x-ray absorption spectroscopy and DFT calculations on [fe(3)s(4)]0,+ clusters: Delocalization, redox, and effect of the protein environment. J. Am. Chem. Soc. 2004, 126, 16868.
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3. Erik Steene, A Dey, Abhik Ghosh: Beta-octafluorocorroles. J. Am. Chem. Soc. 2004, 125, 16300.
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2. Venkataramanarao G Anand, Simi K Pushpan, S Venkatraman, Seenichamy Jeyaprakash Narayanan, A Dey, Tavarekere K Chandrashekar, Raja Roy, Bhavani S Joshi, S Deepa, G Narahari Sastry: 30pi aromatic meso-substituted heptaphyrin isomers: syntheses, characterization, and spectroscopic studies. The Journal of Organic Chemistry 2002, 67, 6309.
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1. A Dey, Abhik Ghosh: "True" iron(V) and iron(VI) porphyrins: a first theoretical exploration. J. Am. Chem. Soc. 2002; 124, 3206.
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