Publications
Insights into the mechanism of peptide fibril growth on gold surface, Soumya Mondal and Tarak Karmakar, 2024, 107237
<p>Link: <a href="https://doi.org/10.1016/j.bpc.2024.107237">https://doi.org/10.1016/j.bpc.2024.107237</a></p>
Faculty Associated
Tarak Karmakar
Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides, Shalu Deshwal, Dinesh Kumar Gopalakrishnan, Alok Purohit, Tarak Karmakar, and Janakiram Vaitla, Org. Biol. Chem. 2024
<p>Link: <a href="https://pubs.rsc.org/en/Content/ArticleLanding/2024/OB/D4OB00677A">https://pubs.rsc.org/en/Content/ArticleLanding/2024/OB/D4OB00677A</a></p>
Faculty Associated
Tarak Karmakar and Janakiram Vaitla
Molecular Dynamics Study on Ion-mediated Self-assembly of Monolayer-protected Nanoclusters, Vikas Tiwary, Anushna Bhattacharyya, and Tarak Karmakar, Nanoscale, 2024
<p>link: <a href="https://pubs.rsc.org/en/content/articlehtml/2024/nr/d4nr02427c">https://pubs.rsc.org/en/content/articlehtml/2024/nr/d4nr02427c</a></p>
Faculty Associated
Tarak Karmakar
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute–Solvent Interactions, Vansh Ramani and Tarak Karmakar, J. Chem. Theory. Comput, 2024,
<p>Link: <a href="https://doi.org/10.1021/acs.jctc.4c00382">https://doi.org/10.1021/acs.jctc.4c00382</a></p>
Faculty Associated
Tarak Karmakar
Nanocarriers for the Delivery of Quercetin to Inhibit the UV-Induced Aggregation of γD-Crystallin, Goswami V, Tomar VR, Yashika, Deep S, Langmuir, 2024, 40, 5617-5631
<p>Link: <a href="https://pubs.acs.org/doi/10.1021/acs.langmuir.3c01910">https://pubs.acs.org/doi/10.1021/acs.langmuir.3c01910</a></p>
Faculty Associated
Shashank Deep
"Inhibition of Fibril Formation by Polyphenols: Molecular Mechanisms, Challenges, and Prospective Solutions", Sharma S., Deep S., Chem Comm, 2024 60, 6717
<p>Link: <a href="https://doi.org/10.1039/D4CC00822G">https://doi.org/10.1039/D4CC00822G</a></p>
Faculty Associated
Shashank Deep
Atomistic Insights on Facet-Dependent Functional Properties in CdSe Nanocrystals, Kushal Samanta, Priyanka Deswal, Dibyajyoti Ghosh, Chemistry of Materials, 2024
<p><a href="https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00370">Link</a>: <a href="https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00370">https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00370</a></p>
Faculty Associated
Dibyajyoti Ghosh
A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models, Pabitra Kumar Nayak, Carlos Mora Perez, Dongyu Liu, Oleg V Prezhdo, Dibyajyoti Ghosh, Chem Mater, 2024
<p>Link:<a href="https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00290">https://pubs.acs.org/doi/full/10.1021/acs.chemmater.4c00290</a></p>
Faculty Associated
Dibyajyoti Ghosh
Stereoselective gem-Difunctionalization of Diazo Compounds with Vinyl Sulfoxonium Ylides and Thiols via Metalloradical Catalysis, S Bhardwaj, D K Gopalakrishnan, S Deshwal, R Sen, V Tiwari, T Karmakar, and J Vaitla, ACS Catalysis 2024
<p>Link:<a href="https://doi.org/10.1021/acscatal.3c06098"> https://doi.org/10.1021/acscatal.3c06098</a></p>
Faculty Associated
Tarak Karmakar and Janakiram Vaitla
"Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters" Anushna Bhattacharyya, Vikas Tiwari, and Tarak Karmakar* J. Phys. Chem. Lett. 2024, 15, 3, 687–692
<p>Link: <a href="https://doi.org/10.1021/acs.jpclett.3c03508">https://doi.org/10.1021/acs.jpclett.3c03508</a></p>
Faculty Associated
Tarak Karmakar
Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights, Sarika Singh, Pabitra Kumar Nayak, Sergei Tretiak, and Dibyajyoti Ghosh*, J. Phys. Chem. Lett. 2023, 14, 42, 9479–9489
<p>Link: <a href="https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c02249">https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c02249</a></p>
Faculty Associated
Dibyajyoti Ghosh
Nondirected, Site-Selective Arylation of Quinone Imine Ketals Derived from Arylamines: One-Pot Access to meta-Substituted Anilines, Dr. Neha Taneja, Pragya, Naveen, Dr. Dulal Musib, Dr. Chinmoy Kumar Hazra, Org. Lett. 2023, 25, 6029–6034
<p>Link:<a href="https://pubs.acs.org/doi/full/10.1021/acs.orglett.3c02181">https://pubs.acs.org/doi/full/10.1021/acs.orglett.3c02181</a></p>
Faculty Associated
Chinmoy Hazra
Myricetin: A Potent Anti-Amyloidogenic Polyphenol against Superoxide Dismutase 1 Aggregation, Shilpa Sharma, Vijay Raj Tomar, Shashank Deep, ACS Chem. Neurosci. 2023, 14, 2461–2475
<p>Link:<a href="https://pubs.acs.org/doi/full/10.1021/acschemneuro.3c00276"> https://pubs.acs.org/doi/full/10.1021/acschemneuro.3c00276</a></p>
Faculty Associated
Shashank Deep
Nano-Formulation of Antioxidants as Effective Inhibitors of γD-Crystallin Aggregation, A Dawn, V Goswami, S Sapra, S Deep, Langmuir 2023, 39, 1330-1344
<p>Link: <a href="https://pubs.acs.org/doi/full/10.1021/acs.langmuir.2c03263">https://pubs.acs.org/doi/full/10.1021/acs.langmuir.2c03263</a></p>
Faculty Associated
Sameer Sapra, Shashank Deep
Favoring Product Desorption by a Tailored Electronic Environment of Oxygen Vacancies in SrTiO3 via Cr Doping for Enhanced and Selective Electrocatalytic CO2 to CO Conversion, P Kalra, D Ghosh, PP Ingole, ACS Appl. Mater. Interfaces 2023, 15, 30187–30198
<p>Link:<a href="https://pubs.acs.org/doi/full/10.1021/acsami.3c04190"> https://pubs.acs.org/doi/full/10.1021/acsami.3c04190</a></p>
Faculty Associated
D Ghosh, PP Ingole
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters, Vikas Tiwari and Tarak Karmakar*, J. Phys. Chem. Lett. 2023
<p>Link: <a href="https://doi.org/10.1021/acs.jpclett.3c01770">https://doi.org/10.1021/acs.jpclett.3c01770</a></p>
Faculty Associated
Tarak Karmakar
Cu(I)/N,N-Imine Ligand Catalyzed C(sp3)–C(sp) Coupling of Alkyl Bromides with Alkynes: Scope and Mechanistic Investigation, Swati Jain, Anmol, Ruchi Sharma, Tarak Karmakar*, and M. Ramu Yadav* Organic Letters, 2023
<p>Link: <a href="https://doi.org/10.1021/acs.orglett.3c01735">https://doi.org/10.1021/acs.orglett.3c01735</a></p>
Faculty Associated
Tarak Karmakar & M. Ramu Yadav
How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights, Manav Bhati, Sergei A Ivanov, Thomas P Senftle, Sergei Tretiak, Dibyajyoti Ghosh, Nanoscale, 2023
<p>Link:<a href="https://pubs.rsc.org/en/content/articlehtml/2023/nr/d2nr06785d">https://pubs.rsc.org/en/content/articlehtml/2023/nr/d2nr06785d</a></p>
Faculty Associated
Dibyajyoti Ghosh
Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study, Pabitra Kumar Nayak and Dibyajyoti Ghosh, J Mater. Chem C, 2023
<p>Link: <a href="https://pubs.rsc.org/en/content/articlelanding/2023/TC/D3TC00331K">https://pubs.rsc.org/en/content/articlelanding/2023/TC/D3TC00331K</a></p>
Faculty Associated
Dibyajyoti Ghosh
Charge transport in mixed metal halide perovskite semiconductors, Satyaprasad P Senanayak, Krishanu Dey, Ravichandran Shivanna, Weiwei Li, Dibyajyoti Ghosh et al. Nature Mater. 2023
<p>Link: <a href="https://www.nature.com/articles/s41563-022-01448-2">https://www.nature.com/articles/s41563-022-01448-2</a></p>
Faculty Associated
Dibyajyoti Ghosh
Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability, Bindusagar Das , Ritu Yadav , Ankita Sharma , Tarak Karmakar and Subrata Kundu, Chem. Commun. 2023
<p>Link: <a href="https://pubs.rsc.org/en/content/articlehtml/2023/cc/d3cc00200d">https://pubs.rsc.org/en/content/articlehtml/2023/cc/d3cc00200d</a></p>
Faculty Associated
Subrata Kundu, Tarak Karmakar
Practical Access to meta-Substituted Anilines by Amination of Quinone Imine Ketals Derived from Anisidines: Efficient Synthesis of Anti-Psychotic Drugs Naveen Yadav, Neha Taneja, Dulal Musib, Prof. Chinmoy Kumar Hazr, Angewandte Chemie 2023
<p>Link: <a href="https://doi.org/10.1002/anie.202301166">https://doi.org/10.1002/anie.202301166</a></p>
Faculty Associated
Chinmoy Hazra
Selective Methane Oxidation to Acetic Acid Using Molecular Oxygen over a Mono-Copper Hydroxyl Catalyst Neha Antil, Manav Chauhan, Naved Akhtar, Rahul Kalita, and Kuntal Manna, JACS 2023
<p>Link: <a href="https://doi.org/10.1021/jacs.2c12042">https://doi.org/10.1021/jacs.2c12042</a></p>
Faculty Associated
Kuntal Manna
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations, Tarak Karmakar, Aaron R. Finney, Matteo Salvalaglio, A. Ozgur Yazaydin, and Claudio Perego, Acc. Chem. Res. 2023
<p>Link: <a href="https://doi.org/10.1021/acs.accounts.2c00811">https://doi.org/10.1021/acs.accounts.2c00811</a></p>
Faculty Associated
Tarak Karmakar
Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters, Vikas Tiwari, Sonali Garg, and Tarak Karmakar, ACS Applied Biomaterials, 2023
<p>Link: <a href="https://doi.org/10.1021/acsabm.2c00997">https://doi.org/10.1021/acsabm.2c00997</a></p>
Faculty Associated
Tarak Karmakar
A Bidirectional Iterative Approach to Sequence-Defined Unsaturated Oligoesters Srashti Bhardwaj, Dinesh Kumar Gopalakrishnan, Divya Garg, Janakiram Vaitla* JACS Au., 2023
<p>Link: <a href="https://doi.org/10.1021/jacsau.2c00641">https://doi.org/10.1021/jacsau.2c00641</a></p>
Faculty Associated
Janakiram Vaitla
Collective Variables for Crystallization Simulations─from Early Developments to Recent Advances Neha, Vikas Tiwari, Soumya Mondal, Nisha Kumari, and Tarak Karmakar, ACS Omega, 2022
<p>link: <a href="https://doi.org/10.1021/acsomega.2c06310">https://doi.org/10.1021/acsomega.2c06310</a></p>
Faculty Associated
Tarak Karmakar
Ion-Mediated Protein Stabilization on Nanoscopic Surfaces Arti Sharma, Soumya Mondal, Tripti Ahuja, Tarak Karmakar, and Soumik Siddhanta, Langmuir, 2022
<p>Link: <a href="https://doi.org/10.1021/acs.langmuir.2c03010">https://doi.org/10.1021/acs.langmuir.2c03010</a></p>
Faculty Associated
Tarak Karmakar, Soumik Siddanta
Understanding cyclic(alkyl)(amino)carbene-copper complex catalysed N–H and O–H bond addition to electron deficient olefins, Akshi Tyagi, Sunita Mondal, Jindal Anmol, Vikas Tiwari, Tarak Karmakar, Subrata Kundu, Chem. Comm. 2022
<p><a href="https://doi.org/10.1039/D2CC05613E">https://doi.org/10.1039/D2CC05613E</a></p>
Faculty Associated
Tarak Karmakar, Subrata Kundu
Hydrophobicity directed chiral self-assembly and aggregation induced emission: Diacetylene-cored pseudopeptide chiral dopants Govind P. Maurya, Deepak Verma, Aloka Sinha, Luc Brunsveld, V Haridas, Angewandte Chemie International Edition, 2022
<p><a href="https://doi.org/10.1002/ange.202209806">https://doi.org/10.1002/ange.202209806</a></p>
Faculty Associated
V Haridas
Experimental and first-principles studies on superconductivity in noncentrosymmetric La3Se4, Moumita Naskar, Soumen Ash, Debendra Prasad Panda, Chandan Kumar Vishwakarma, Brajesh Kumar Mani, A. Sundaresan, and Ashok Kumar Ganguli Phys. Rev. B 105, 014513
<p><a href="https://doi.org/10.1103/PhysRevB.105.014513">https://doi.org/10.1103/PhysRevB.105.014513</a></p>
Faculty Associated
Ashok K Ganguli
Mono Phosphine Metal Organic Framework Supported Cobalt Catalyst for Efficient Borylation Reactions, Rajashree Newar, Wahida Begum, Naved Akhtar, Neha Antil, Manav Chauhan, Ajay Kumar, Poorvi Gupta, Jaideep Malik, Balendra, and Kuntal Manna, 2022
<p><a href="https://doi.org/10.1002/ejic.202101019">https://doi.org/10.1002/ejic.202101019</a></p>
Faculty Associated
Kuntal Manna
Heterogeneity and Nanostructure of Superconcentrated LiTFSI–EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of Water-in-Salt Electrolyte, Harender S. Dhattarwal and Hemant K. Kashyap, J. Phys. Chem. B 2022, 126, 28, 5291–5304
<p><a href="https://doi.org/10.1021/acs.jpcb.2c02822">https://doi.org/10.1021/acs.jpcb.2c02822</a></p>
Faculty Associated
Hemant K. Kashyap
Electrochemical Activation of the C–X Bond on Demand: Access to the Atom Economic Group Transfer Reaction Triggered by Noncovalent Interaction, Partha Pratim Sen, Vishal Jyoti Roy, and Sudipta Raha Roy, J. Org. Chem. 2022
<p><a href="https://doi.org/10.1021/acs.joc.2c00529">https://doi.org/10.1021/acs.joc.2c00529</a></p>
Faculty Associated
Sudipta Raha Roy
Intrinsic Lability of NiMoO4 to Excel the Oxygen Evolution Reaction, A. Rajput, M. K. Adak, B. Chakraborty, Inorg. Chem., 2022
<p><a href="https://doi.org/10.1021/acs.inorgchem.2c01167">https://doi.org/10.1021/acs.inorgchem.2c01167</a></p>
Faculty Associated
Biswarup Chakraborty
Lewis Acid-Promoted Typical Friedel–Crafts Reactions Using DMSO as a Carbon Source, Nagaraju Vodnala, Sanjay Singh, and Chinmoy Kumar Hazra, J. Org. Chem, 2022
<p><a href="https://doi.org/10.1021/acs.joc.2c01037">https://doi.org/10.1021/acs.joc.2c01037</a></p>
Faculty Associated
Chinmoy K. Hazra
A Catalyst and Solvent Free Route for the Synthesis of N‐Substituted Pyrrolidones from Levulinic Acid, Pritam Dolui, Vikas Tiwari, Parul Saini, Tarak Karmakar, Koushik Makhal, Harshita Goel, Anil J Elias, Chem.Eur. J. 2022, e202200829
<p><a href="https://doi.org/10.1002/chem.202200829">https://doi.org/10.1002/chem.202200829</a></p>
Faculty Associated
Anil J Elias
Correlating the Local and Global Dynamics of an Enzyme in the Crowded Milieu, H Rastogi, PK Chowdhury, The Journal of Physical Chemistry B, 2022, 126 (17), 3208-3223
<p><a href="https://doi.org/10.1021/acs.jpcb.1c09759">https://doi.org/10.1021/acs.jpcb.1c09759</a></p>
Faculty Associated
Pramit K Chowdhury
Impact of Bifunctional Ligands on Charge Transfer Kinetics in CsPbBr3–CdSe/CdS/ZnS Nanohybrids, S Khurana, MS Hassan, P Yadav, D Ghosh, S Sapra, The Journal of Physical Chemistry Letters, 2022, 13 (11), 2591-2599
https://doi.org/10.1021/acs.jpclett.2c00067
Faculty Associated
Sameer Sapra
Visible-Light-Driven Site-selective Alkylation of Benzo Core of Coumarins, Krishna N. Tripathi, Shashank Singh, Naved Akhtar, Kuntal Manna, and Ravi P. Singh, Chem Comm. 2022
https://doi.org/10.1039/D2CC03073J
Faculty Associated
Ravi P. Singh
