Yogesh Kumar, Sidharth Barik, Nikhil S. Samudre, Geeta Pandurang Kharabe, Inderjeet Chauhan, Narugopal Manna, Suresh Bhat And Sreekumar Kurungot, Self-Supported Super-Hydrophilic Interconnected Nanospikes and Particles of MoS2-Ni3S2/NF with Optimum d-Band Center for Anion Exchange Membrane Water Electrolyzer, Advanced Sustainable Systems., 9 (3), 2400957 (2025), DOI:10.1002/adsu.202400957.
Geeta Pandurang Kharabe, Tushar Verma, Sidharth Barik, Rajashri R. Urkude, Nadeema Ayasha, Biplab Ghosh, Sailaja Krishnamurty And Sreekumar Kurungot*, Hydrogel Electrolyte-Mediated In Situ Zn-Anode Modification and the Ru-RuO2/NGr-Coated Cathode for High-Performance Solid-State Rechargeable Zn–Air Batteries, ACS Applied Materials & Interfaces., 17 (2), 3188 - 3204 (2025), DOI:10.1021/acsami.4c14231.
Priyanka Pandinhare Puthiyaveetil, Aathira Nair, Swati Dilwale, Maria Kurian, Kavita Joshi And Sreekumar Kurungot, Insights on Prussian Blue Analogue Cathode Material Engineered with Polypyrrole Surface Protection Layer for Aqueous Rechargeable Zinc Metal Battery, SMALL., 21 (4), 2409947 (2025), DOI:10.1002/smll.202409947.
This article also appears in: Hot Topic: Surfaces and Interfaces
Patil A, Nawghare I, Nithyanandhan J And Ambade A, Squaraine Dyes as Efficient Photoredox Catalysts for PET-RAFT Polymerization in Batch and Flow Modes Accelerated by Suppression of Dye Aggregation, Macromolecules., manuscript accepted, xxxx - xxxx (2025), DOI:10.1021/acs.macromol.4c02612.
S. Mishra, S. Kar, R. Rangappa, P. Patil, V. Kadam, S. H. Chikkali And R. C. Samanta*, Electrochemical Deconstruction of Waste Polyvinylidene Chloride (PVDC) to Value-Added Products in Batch and Flow, Chem. Eur. J., 31, e202403980 (2025), DOI:10.1002/chem.202403980.
Bogalera Papaiah Shivamurthy, Purnima Rawat, Manjusha V. Shelke, Zhongren Zhou And Girish Praveen Nayaka*, Restoration of Degraded Spinel Structure from Spent Li-Ion Battery Cathodes towards Reclaiming for Second Life, ACS Sustainable Resource Management., , (2025), DOI:https://pubs.acs.org/action/showCitFormats?doi=10.1021/acssusresmgt.4c00533&ref=pdf.
Ganeshdev Padhi#, Kishor V. Khopade#, Nageswararao Moyilla, Raghavendrakumar Rangappa, Samir H. Chikkali* And Nagaraju Barsu*, Ruthenium-Catalyzed Deconstruction of Polyolefins: A Strategy to Up-cycle Waste Polyethylene to Value-Added Alkene, Angew. Chem. Int. Ed., , e202422609 (2025), DOI:10.1002/anie.202422609.
# G.P. and K.V.K. contributed equally;
https://onlinelibrary.wiley.com/doi/10.1002/anie.202422609
Tanuja Tewari, Maulali Shaikh, Himanshu Sharma, Kumar Vanka And Samir H. Chikkali*, Iron-Catalyzed Chemoselective Reduction of Enimines to N-Allylic Amines via Hydrosilylation, Asian J. Org. Chem., , (2025), DOI:10.1002/ajoc.202400762.
IF: 8.5;
Electrocatalytic water splitting to hydrogen and oxygen is considered to be one of the significant routes for future renewable energy conversion. Therefore, the development of unique, efficient, and cost-effective bifunctional electrocatalysts, which can perform both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is critical for the accessible utilization of renewable energy. The increasing overall efficiency of the water-splitting reaction is pivotal for sustainable energy conversion and hydrogen production. Herein, we present a facile solution-based synthesis route to control the crystallinity of the cobalt tungstate (CoWO4) nanomaterials to amorphous, semiamorphous, and crystalline phases and further exploit these nanomaterials as bifunctional electrocatalysts for the HER, OER, and overall electrochemical water splitting reaction. Notably, the semiamorphous cobalt tungstate nanomaterials show a remarkable surface area of approximately 150 m2/g, the highest reported for CoWO4-based materials, and demonstrated superior activity for both the OER and HER and outstanding stability over the amorphous and crystalline counterparts. Notably, the SemiAmp||SemiAmp electrolyzer demonstrated a better performance for overall water splitting than the commercial RuO2||Pt/C electrolyzer.
Kundan Wasnik, Poonam Yadav, Manuj Ahuja, Vinay Mirzapure, Priya Johari* And Manjusha Shelke*, Investigations into the Nucleation Dynamics of the Stable Na-metal Anode: Revealing the Role of Tin-infused Carbon Nanofiber Interlayer, ACS Applied Materials & Interfaces., accepted, (2025).
Kritika Gour, Debjit Pramanik, Soumya Ranjan Dash, Dipak Dattatray Shinde, Geethu Venugopal, Kumar Vanka, * Arup K. Rath* And Sakya S. Sen*, Germylene Mediated Reductive C–C and C-N Coupling of an Isocyanide and its Device Application, Angew. Chem. Int. Ed., 64, e202417052 (2025).
Anoushka Das, Poonam Yadav, Tushar Verma, M. Thripuranthaka, Sailaja Krishnamurty And Manjusha Shelke*, Unlocking Enhanced Redox Dynamics: The Power of a Bifunctional Catalytic Zinc Phosphide Interface in Full Cell and Pouch Lithium-Sulfur Batteries, ACS Applied Materials & Interfaces., 17, 7657 - 7669 (2025), DOI:https://doi.org/10.1021/acsami.4c17192.
Apparav K. Wale, Anoushka K. Das, Nita R. Patil, Manjusha V. Shelke, Ashootosh V. Ambade* And Prakash P. Wadgaonkar*, Methoxyl-Containing Hyper-Crosslinked Polymer from Largely Bio-Based Biphenyl Methyl Ether and Its Application in Lithium-Sulfur Battery, Reactive and Functional Polymers., 207, 106139 (2025).
Ganeshdev Padhi, Kishor V Khopade, Nageswararao Moyilla, Raghavendrakumar Rangappa And Samir H Chikkali* and Nagaraju Barsu*, Ruthenium-Catalyzed Deconstruction of Polyolefins: A Strategy to Up-cycle the Waste Polyethylene to Value-Added Alkenes, Angew. Chem. Int. Ed., e202422609, 1 - 8 (2025), DOI:10.1002/ange.202422609.
Yutong Yang, Yang Han, Babul Prasad, Ruizhi Pang, Changlong Zou And WS Winston Ho, Carbon capture from flue gases using an integrated membrane skid, Journal of Membrane Science., 718, 123674 (2025), DOI:https://doi.org/10.1016/j.memsci.2024.123674.
S. K. Verma, P. P. Samal, C. Pradhan, D. K. Pandey, S. Krishnamurty And B. Punji, Hybrid Pincer (PNN)Ni(II) Complex Catalyzed Selective C?H Alkylation of Pyridones Using Unactivated Alkyl Chlorides, ACS Catal., 15, 2987 - 2999 (2025), DOI:10.1021/acscatal.4c07173.
Sonali Naik, Arun Torris, Gorakh Ghuge, Karthika V K, Roy Joseph And Kiran Nair, Thrombin Immobilized Hemocompatible Radiopaque Polyurethane Microspheres for Topical Blood Coagulation, Journal of Biomedical Materials Research: Part A., 113 (1), e37828 (2025), DOI:10.1002/jbm.a.37828.
Vishnu Arumughan, Hitesh Medipally, Arun Torris, Tuukka Levä, Hanna Grimm, Tekla Tammelin, Robert Kourist And Eero Kontturi, Bioinspired Nanochitin Based Porous Constructs for Light Driven Whole Cell Biotransformations, Advanced Materials., , 2413058 (2025), DOI:10.1002/adma.202413058.
Pragati Sahu And Shatabdi Porel Mukherjee*, Rapid and Efficient Microwave-assisted Synthesis of Mn-doped Cesium Bromide to Phase Engineered Cesium Manganese Bromide Nanocrystals with Color-Tunable RGB Emission, Journal of Materials Chemistry C (under revision)., , (2025).
Shatabdi Porel Mukherjee* And Pragati Sahu, MICROWAVE-ASSISTED SYNTHESIS OF PHASE ENGINEERED CESIUM MANGANESE BROMIDE NANOCRYSTALS WITH COLOR-TUNABLE EMISSION, Provisional IN Patent Application No: 02511005404 dated 22-Jan-2025., , (2025).
NFNO: 0008NF2025/IN
Shatabdi Porel Mukherjee* And Manoj Krishnat Patil, AN ANODE COMPOSITION MATERIAL AND PROCESS FOR THE PREPARATION THEREOF, Provisional IN Patent Application No: 02511005405 dated 22-Jan-2025., , (2025).
NFNO: 0017NF2025/IN
Keya Mondal, Kushagra Advani, Snigdha Ghosh, Kadhiravan Shanmuganathan, Goutam Kulsi And Swaminathan Sivaram and Sayam Sen Gupta, Shola: a 3D porous hydrophobic–oleophilic lignocellulosic material for efficient oil/water separation, J. Mater. Chem. A., 13, 1983 - 1995 (2025), DOI:DOI https://doi.org/10.1039/D4TA06463A.
Ajmal Pandikassala, Varsha Nadumattuvayil, Mayank U. Singh, Swapnil D. Jadhav, Athira Yoyakki And Sreekumar Kurungot, Pt-Based 3D Electrocatalyst with Process-Friendly Features for PEMFCs Possessing Fast Activation and Improved Mass-Transfer Properties, Advanced Sustainable Systems., Just Accepted Manuscript, (2025), DOI:10.1002/adsu.202400904.
Subhadip Mishra, Sourav Kar, Raghavendrakumar Rangappa, Prashant Patil, Vijay Kadam, Samir H. Chikkali And Ramesh C. Samanta* , Electrochemical Deconstruction of Waste Polyvinylidene
Chloride (PVDC) to Value-Added Products in Batch and
Flow, Chem. Eur. J., , (2025), DOI:doi.org/10.1002/chem.202403980.
Rajkumar S. Birajdar, Poonam Gupta, Rajesh G. Gonnade And Samir H. Chikkali*, Synthesis of Imine-Phenoxy Ligated Palladium Complexes for Norbornene Homopolymerization, Inorg. Chem., 64, 25 - 36 (2025), DOI:10.1021/acs.inorgchem.4c04117.
C. Pradhan, D. Khandelwal And B. Punji, Regioselective Difluoroalkylation of 2-Pyridones with Fluoroalkyl Bromides Enabled by a Nickel(II) Catalyst, Chem. Asian J., 20, xxxx - xxxx (2025), DOI:10.1002/asia.202401870.
Ingole K B, Siby J, Pandya R, Vanka K, Krishnamoorthy K And Nithyanandhan J, Double anchoring squaraine dye with triazatruxene amine donor for dye-sensitized solar cells: Sequential cosensitization for panchromatic light-harvesting, J. Photochem. Photobiol. A Chem., 462, 116229 (2025), DOI:https://doi.org/10.1016/j.jphotochem.2024.116229.
Sachin D. Mahale, Anamika Prasad And Santosh B. Mhaske, Functionalized Quinolones and Isoquinolones via 1,2-Difuntionalization of Arynes: Synthesis of Antagonist Agent AS2717638 and Floxacin Key Intermediates, Chemical Communications., 61, 133 - 136 (2025), DOI:https://doi.org/10.1039/D4CC05671J.
Nawghare I S, Deshmukh S S, Joshi K, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Far-red Active Squaraine Dye-Sensitized Photoanode for Dye-sensitized Solar Cells with a Copper (II/I) Electrolyte, J. Photochem. Photobiol. A Chem., 459, 116086 (2025), DOI:10.1016/j.jphotochem.2024.116086.
Ajay Kumar, Viney Lohchab, Dnyandeo Pawar, Vimal Someshwar, Vikas Mathe, Sudhir Husale And Rajesh Kanawade, Real-time estimation of blood oxygenation parameters from human foot sole during leg elevation: A preliminary study with diffuse reflectance spectroscopy, Optics & Laser Technology., 181, 111706 (2025), DOI:https://doi.org/10.1016/j.optlastec.2024.111706.
Sachin Kumar, Athira Yoyakki And Sreekumar Kurungot, Surface-Anchored PtNi Alloy Network over SiO2 (PtNi/SiO2): A Versatile Carbon-Free Cathode for Proton Exchange Membrane Fuel Cells (PEMFCs), ACS Appl. Eng. Mater., 2 (4), 1110 - 1121 (2024), DOI:10.1021/acsaenm.4c00091.
Our new paper published in ACS Applied Engineering Materials. In this study, we created an electrocatalyst for the electrochemical oxygen reduction reaction using PtNi/SiO2 alloy as a feasible carbon-free catalyst for proton exchange membrane fuel cells (PEMFCs). One significant problem reducing the fuel cells' lifespan is carbon corrosion. The present catalyst turns out to be electrochemically more active as a potential carbon-free substitute for PEMFC applications because of the electronic level modulations brought about by lattice compression.
Lavanya Korampattu, Sidharth Barik, Ajmal Pandikassala, Rajashri R. Urkude, Sreekumar Kurungot* And and Paresh L. Dhepe*, The Role of Nitrogen Doping in Modulating Ruthenium Nanocatalysts for Enhanced Electrochemical Hydrogen Evolution Reaction in Alkaline Medium, Chem. Mater., 36 (9), 4262 - 4274 (2024), DOI:10.1021/acs.chemmater.3c03169.
Abdul Khayum Mohammed, Ajmal Pandikassala, Pilar Pena Sánchez, Safa Abdullah Gaber, Stefano Canossa, Maria Kurian, Gigi Xavier, Yao He, Felipe Gándara, Sreekumar Kurungot And Dinesh Shetty, Iron salicylaldehydate conjugated metal–organic framework for quasi solid-state supercapacitor, Chemical Engineering Journal., 496t, 153589 (2024), DOI:10.1016/j.cej.2024.153589.
Aryan Anurath Wavhal, ? Swati Dilwale, ? Priyanka Pandinhare Puthiyaveetil, ? Navnath R. Kakde, Medha Prakash, Sreekumar Kurungot And * and Asha S. K.*, High-Voltage Symmetric Supercapacitor Electrodes Via In Situ Synthesized Multiwalled Carbon Nanotube-Doped Perylenebisimide-Based Donor?Acceptor Conjugate Polymer P(PDI2OD-T2), J. Phys. Chem. C., 128 (31), 12808 - 12821 (2024), DOI:10.1021/acs.jpcc.4c02345.
Maria Kurian, Suresha P. Ranganath, Vidyanand Vijayakumar, Sneha Sivadasan, Rachna Maria Kurian, Manohar V. Badiger And Sreekumar Kurungot, F-Doped Nickel Cobalt Oxide-Carbon Composite Electrocatalysts Paired with Mechanically Robust Anion-Conducting Chitosan Membranes for Flexible and Rechargeable Zinc–Air Batteries, ACS Appl. Energy Mater., 7 (16), 7037 - 7054 (2024), DOI:10.1021/acsaem.4c01261.
Priyanka Pandinhare Puthiyaveetil, Arun Torris, Swati R Dilwale, Fayis Kanheerampockil And Sreekumar Kurungot , Cathode|Electrolyte Interface Engineering by a Hydrogel Polymer Electrolyte for a 3D Porous High-Voltage Cathode Material in a Quasi-Solid-State Zinc Metal Battery by In Situ Polymerization, SMALL., 20 (40), 2403158 (2024), DOI:10.1002/smll.202403158.
This manuscript reports a quick and efficient synthesis protocol for the hydrogel polymer electrolyte and zinc-doped manganese oxide (Zn-MnO) as a high-voltage 3D porous cathode for quasi quasi-solid state rechargeable zinc metal battery (QSS-RZMB). The full cell fabrication with PHPZ-30 and Zn-MnO cathode shows promising performance and high voltage operability.
Geeta Pandurang Kharabe, Sidharth Barik, Sudheesh Kumar Veeranmaril, Aathira Nair, Rajith Illathvalappil, Athira Yoyakki, Kavita Joshi, C. P. Vinod And Sreekumar Kurungot, Aluminum, Nitrogen-Dual-Doped Reduced Graphene Oxide coexisting with CobaltEncapsulated Graphitic Carbon Nanotube as an Activity Modulated Electrocatalyst for Oxygen Electrochemistry Applications, SMALL., 20 (35), 2400012 (2024), DOI:10.1002/smll.202400012.
Given the benefits of Al and its limited research on electrocatalysis, we present here the creation of a potential bifunctional ORR and OER electrocatalyst made of Co-encapsulated carbon nanotubes co-existing with Al, N-dual-doped reduced graphene oxide (Al, Co/N-rGCNT). The potential of the developed catalyst could be demonstrated for RZAB with respect to the charging and discharging cycling, validating the use of an economical and environmentally benign catalyst for an emerging energy solution.
Swati Dilwale, Priyanka Pandinhare Puthiyaveetil, Athira Babu And Sreekumar Kurungot , Phytic Acid Customized Hydrogel Polymer Electrolyte and Prussian Blue Analogue Cathode Material for Rechargeable Zinc Metal Hydrogel Batteries, SMALL., 20 (34), 2311923 (2024), DOI:10.1002/smll.202311923.
Zinc anode deterioration in aqueous electrolytes, and Zn dendrite growth is a major concern in the operation of aqueous rechargeable Zn metal batteries (AZMBs). To tackle this the replacement of aqueous electrolytes with a zinc hydrogel polymer electrolyte (ZHPE) is presented in this study. This method involves structural modifications of the ZHPE by phytic acid through an ultraviolet (UV) light-induced photopolymerization process. The high membrane flexibility, high ionic conductivity (0.08 S cm-1), improved zinc corrosion overpotential, and enhanced electrochemical stability value of ~2.0 V vs Zn|Zn2+ show the great potential of ZHPE as an ideal gel electrolyte for rechargeable zinc metal hydrogel batteries (ZMHBs).
Athira Babu, Swati Dilwale And Sreekumar Kurungot, Interlayer Space Engineering-Induced Pseudocapacitive Zinc-Ion Storage in Holey Graphene Oxide-Bearing Vertically Oriented MoS2 Nano-Wall Array Cathode for Aqueous Rechargeable Zn Metal Batteries, SMALL., 20 (50), 2406926 (2024), DOI:10.1002/smll.202406926.
In this work, we investigated the benefits of the structural transformation of oxygen incorporated molybdenum sulfide (O-MoS2), that is realized with modified graphene oxide with in-plane surface nanopores (holey graphene oxide/hGO). The unique structure of our cathode material allows for rapid ion transport and efficient charge/discharge processes, resulting in a high discharge capacity.
Sidharth Barik, Geeta Pandurang Kharabe, Pragnya Paramita Samal, Rajashri R. Urkude, Sachin Kumar, Athira Yoyakki, C. P. Vinod, Sailaja Krishnamurty And Sreekumar Kurungot , Breaking the Pt Electron Symmetry and OH Spillover towards PtIr Active Center for Performance Modulation in Direct Ammonia Fuel Cell, SMALL., 20 (49), 2406589 (2024), DOI:10.1002/smll.202406589.
In this article, a novel catalyst, Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles decorated on AlOOH/NGr composite. The AlOOH provides an –OH?rich surface conducive to the facile adsorption and decoration of the PtIr alloy nanoparticles and OHad species spillover from AlOOH to the Pt4Ir active center during AOR, further validating the higher experimental activity obtained in Pt4Ir/ANGr.
Gargi Kundu, Debjit Pramanik, Soumya Ranjan Dash, Ravi Kumar, Mayur Sangole, Srinu Tothadi, Aryya Ghosh, * Kumar Vanka And * Kirandeep Singh* And Sakya S Sen*, Unprecedented C-F bond cleavage from perfluoronaphthalene during cobaltocene reduction, Dalton Trans., 53, 17789 - 17793 (2024).
Kajal Balayan, Himanshu Sharma, Kumar Vanka, Rajesh G. Gonnade* And Sakya S. Sen*, Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine, Chem. Sci., 15, 18387 - 18394 (2024).
Nageswararao Moyilla, Ganeshdev Padhi And Deepti Kalsi* and Nagaraju Barsu*, Copper/Iron Co-Catalyzed Depolymerization of Post-Consumer Polycarbonate: A One-Pot Strategy to Synthesize Aryl Ethers, ACS Sustainable Chem. Eng., 12, 18362 - 18372 (2024), DOI:org/10.1021/acssuschemeng.4c0699.
Shatabdi Porel Mukherjee*, Sahil Dev, Subrata Kundu And Sreenivasan Nagappan, BIFUNCTIONAL ELECTROCATALYST FOR WATER SPLITTING, AND METHOD OF PREPARATION THEREOF, Indian Patent Application (filed as Provisional) Application number: 202411098072, dated 11-12-2024., , (2024).
Pooja V. Sharma, Tamal Das, Susmita Mukherjee, Ejaj K. Pathan And Azizur Rahman & Ganesh B. Gathalkar, New record of larval-pupal endoparasitoid Exorista deligata parasitising Indian Tea looper Hyposidra talaca from India, Phytoparasitica., 52 (23), 1 - 12 (2024), DOI:https://doi.org/10.1007/s12600-024-01121-1.
Kundan Wasnik, Apurva Patrike And Manjusha V. Shelke*, Unveiling a Promising Active Host Material for Sodium Metal Anodes through V2AlC MAX Derivation, ACS Applied Energy Materials., 7, 6084 - 6089 (2024), DOI:https://pubs.acs.org/doi/10.1021/acsaem.4c01059.
Apparav K. Wale, Ashish S. Jagtap, Priyanshi R. Pandey, Syed G. Dastager, Manjusha V. Shelke, Ashootosh V. Ambade* And Prakash P. Wadgaonkar*, Catechol- and Phenolic Hydroxyl-Functionalized Partially Bio-Based (Co)poly(ether sulfone)s with Multifarious Applicability, European Polymer Journal., 220, 113484 (2024), DOI:https://doi.org/10.1016/j.eurpolymj.2024.113484.
Gobinda Das, Dhanraj B Shinde*, Amrutha Melepurakkal, Manjusha V Shelke, Bikash Garai, Philippe Bazin, Abdelhafid Aitblal, Farah Benyettou, Thirumurugan Prakasam, Rasha Abdul Halim, Fayrouz Abou Ibrahim, Sudhir Kumar Sharma, Sabu Varghese, James Weston, Ramesh Jagannathan, Matthew Addicoat, Felipe Gándara, Mark A. Olson, Mohamad El-Roz And Ali Trabolsi*, Synergistic Humidity-Responsive Mechanical Motion and Proton Conductivity in a Cationic Covalent Organic Framework, Chem., 10, 2500 - 2517 (2024), DOI:https://doi.org/10.1016/j.chempr.2024.04.018.
Neethu T.M. Balakrishnan, Amrutha Melepurakkal, Akhila Das, Mohammed Kenz K.T, Mohanapriya Subramaniam, Manjusha Shelke*, Abhilash Pullanchiyodan* And Prasanth Raghavan*, Safety enhanced novel polymer electrolytes for lithium-ion battery: Anomalous output performance with long term cycling stability by doping and polymer blending, Materials Today Chemistry., 39, 102121 (2024), DOI:https://doi.org/10.1016/j.mtchem.2024.102121.
Sajid Saikia, Animesh Gopal, Radha Rathod, Aprajita Joshi, K. R. Priolkar, Surajit Saha, Pralay K. Santra, Kadhiravan Shanmuganathan And and Angshuman Nag*, Ultrabroad Near Infrared Emitting Perovskites, Angewandte Chem. Int. Ed., , (2024), DOI:https://doi.org/10.1002/anie.202415003.
Sachin Jadhav, Dhirendra Singh, Deepika Gupta, Vivek Ganvir, Madan Kumar Singh* And Kadhiravan Shanmuganathan*, Structure and properties of the cellulose fibres spun from imidazolium-based carboxylate functionalized zwitterionic liquid, Carbohydrate Polymers., 348, 122804 (2024), DOI:https://doi.org/10.1016/j.carbpol.2024.122804.
Supriya Sahoo, Rishukumar Panday, Premkumar Kothavade, Vijay Bhan Sharma, Anirudh Sowmiyanarayanan, Balu Praveenkumar, Jan K. Zar?ba*, Dinesh Kabra*, Kadhiravan Shanmuganathan* And and Ramamoorthy Boomishankar*, A Highly Electrostrictive Salt Cocrystal and the Piezoelectric Nanogenerator Application of Its 3D-Printed Polymer Composite, ACS Appl. Mater. Interfaces., 16, 26406 - 26416 (2024), DOI:https://doi.org/10.1021/acsami.4c03349.
Premkumar Kothavade, Prashant Yadav, Animesh Gopal, Harshawardhan Pol, Abdullah Kafi, Stuart Bateman And Kadhiravan Shanmuganathan*, Enhancing the Crystallization Kinetics and Mechanical Properties of Poly(lactic acid) Blends for 3D Printing Application, ACS Appl. Polym. Mater., 6, 5754 - 5762 (2024), DOI:https://doi.org/10.1021/acsapm.4c00428.
Premkumar Kothavade, Abdullah Kafi, Chaitali Dekiwadia, Viksit Kumar, Santhosh Babu Sukumaran And Kadhiravan Shanmuganathan and Stuart Bateman*, Extrusion 3D Printing of Intrinsically Fluorescent Thermoplastic Polyimide: Revealing an Undisclosed Potential, Polymers., 16, 2798 (2024), DOI:https://doi.org/10.3390/polym16192798.
Prachi Kour, Pragati Sahu, Neha Dambhare, Arup Kumar Rath And Shatabdi Porel Mukherjee*, Lead-Free Low-Dimensional Tetraalkylammonium Manganese- and Copper-based Hybrid Organic-Inorganic Perovskites for Visual Fluorometric Pb2+ Ion Detection, ACS Applied Optical Materials (Full paper)., 2, 1533 - 1545 (2024), DOI:https://doi.org/10.1021/acsaom.4c00182.
For the first time, we have synthesized lead (Pb)-free manganese
(Mn)- and copper (Cu)-based hybrid organic?inorganic perovskite (HOIP) compounds, compound 1, (TEA)2MnBr4, compound 2, (TBA)2MnBr4, compound 3, (TEA)2CuBr4, and compound 4, (TBA)CuBr2 (where TEA is tetraethylammonium and TBA is tetrabutylammonium), under ambient conditions via mechanochemical synthesis methodology using a Kakuhunter-made planetary mixer. The compounds are characterized as 2D except for (TBA)CuBr2, which has crystallized in the 0D lattice. The synthesized compounds are phase pure and show a stable solid-state emission at room temperature. The Mn-based perovskite compound 1 showed excellent environmental photostability for over a month and reasonable stability under a relative humidity of 70-80%. The nanoparticle (NP) dispersions of compounds 1 and 2 were used further for fluorescence titration studies using various
heavy metal cations, including transition metals and lanthanides (e.g., Y3+, Nb3+, Co2+, Ni2+, Ag+, Zn2+, Cd2+, Pb2+, Gd3+, and Dy3+), where they showed good fluorescence switching by the Pb2+ ion. Compound 1 demonstrated excellent fluorescence switching
performance with Pb2+ titration with a Pb2+ detection limit of 2.43 × 10-8 M and hence can be used to fabricate a Pb2+ calorimetric
sensor. A preliminary visual thin film-based sensor using NPs of compound 1 was fabricated to test the change in emission from blue
to green in correlation with the results obtained in the NP solution during Pb2+ ion sensing. A fascinating in situ ion-exchange-based mechanism for the sensitivity of NPs of compound 1 is confirmed. This study reveals the ability of Pb-free Mn-based HOIPs to detect an oxidizing metal cation, Pb2+, efficiently and quantitatively
A. B. Shabade, R. K. Singh, R. G. Gonnade And B. Punji, Manganese-Catalyzed Chemoselective Direct Hydrogenation of alpha,beta-Epoxy Ketones and alpha-Ketoamides at Room Temperature, Adv. Synth. Catal., 366, 3338 - 3345 (2024), DOI:10.1002/adsc.202400267.
C. Pradhan And B. Punji, Advancement in C–H Bond Alkylation of (Hetero)arenes Catalyzed by the Most Abundant Transition Metal - Iron, Org. Chem. Front., 11, 2397 - 2417 (2024), DOI:10.1039/D4QO00063C.
S. K. Verma And B. Punji, Copper-catalyzed regioselective C-H alkylation of phenol derivatives with unactivated alkyl chlorides: manifesting a Cu(I)/Cu(III) pathway, J. Catal., 430, 115351 (2024), DOI:YJCAT_115351.
S. B. Ankade, S. Banerjee And B. Punji, Nickel-Catalyzed Branch Selective C-H Alkylation of Indoles and Azoles with Alkenes: An Additive- and Solvent-Free Approach, Eur. J. Org. Chem., 27, e202400376 (2024), DOI:10.1002/ejoc.202400376.
B. Punji, S.K. Verma And D. K. Pandey, Novel nickel-based catalysts, process for the preparation and applications thereof, PCT and Indian Pat. Appl., , (2024).
Punji, B., Ankade, S. B., Pradhan And C. , A Stereogenic 3,3-Disubstituted 3-Amino Oxindole Compounds and Process for Preparation Thereof, PCT and Indian Patent Appl., , WO20241109 (2024).
M. Vijaykumar, R. G. Gonnade And B. Punji, Palladium-Catalyzed Regioselective C(4)-H Fluoroalkoxylation of Indoles through Weak Chelation Assistance, ChemCatChem., 16, e202401188 (2024), DOI:10.1002/cctc.202401188.
M. Vijaykumar, C. Pradhan, R. G. Gonnade And B. Punji, Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles, Chem. Commun., 60, 13028 - 13031 (2024), DOI:D4CC03835E.
Punji, B., Verma And S, Novel Process for the Copper-Catalyzed Preparation of ortho-Substituted Phenolic Compounds with Unactivated Substituted Halides and Phenolic Compounds Thereof, PCT and Indian Pat. Appl., , (2024).
S. B. Ankade, C. Pradhan, P. P. Samal, R. G. Gonnade, S. Krishnamurty And B. Punji, Iron-Catalyzed C–C and C–N Bond-Forming Tandem Amidation Offering Access to 3-Amino-3-Aminomethyl-2-Oxindole Frameworks, Adv. Synth. Catal., 366, 2801 - 2810 (2024), DOI:10.1002/adsc.202400216.
S. Bansal And B. Punji, Nickel-Catalyzed Chemodivergent Coupling of Alcohols: Efficient Routes to Access ?,?-Disubstituted Ketones and ?-Substituted Chalcones, Chem. Eur. J., 30, e202304082 (2024), DOI:rg/10.1002/chem.202304082.
S. Bansal And B. Punji, Chemodivergent Dehydrogenative Coupling of Alcohols by 3d Metal Catalysts, ChemCatChem., 16, e202301558 (2024), DOI:10.1002/cctc.202301558.
R. B. Pawar, M. H. Karmur And B. Punji, Ligand-free MnBr2-Catalyzed Chemo- and Stereoselective Hydroboration of Terminal Alkynes, Chem. Asian J., 19, e202400158 (2024), DOI:10.1002/asia.202400158.
Dnyandeo Pawar, Daniela Lo Presti, Enrico D Lemma, Alberto Rainer, Ajay Kumar, Rajesh Kanawade, Sergio Silvestri, Emiliano Schena And Carlo Massaroni, Polymeric PEI/PEG coated optical fiber Fabry-Perot interferometer for CO2 detection, IEEE Sensors Journal., 24, 40883 - 40889 (2024), DOI:https://doi.org/10.1109/JSEN.2024.3478088.
Bhoite A, Gaur NK, Palange M, Kontham R, Gupta V And Kulkarni K, Structure of epoxide hydrolase 2 from Mangifera indica throws light on the substrate specificity determinants of plant epoxide hydrolases, Biochem Biophys Res Commun., 733, 150444 (2024), DOI:10.1016/j.bbrc.2024.150444.
Omble A, Mahajan S, Bhoite A And Kulkarni K*, Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF, Commun Biol., 7, 543 (2024), DOI:10.1038/s42003-024-06194-6.
Gaur NK, Urankar S, Sengupta D, Chepuri VR, Makde RD And Kulkarni K*, A cell based assay using virus-like particles to screen AM type mimics for SARS-CoV-2 neutralisation, Biochem Biophys Res Commun., 718, 150082 (2024), DOI:10.1016/j.bbrc.2024.150082.
R. Venkataraghavan, , Arvind Bhure , Tufeil Khan, Dipak Shikare And R. Devi & Paresh Dhepe, Exploring Thermocatalytic Pyrolysis to Derive Sustainable Chemical Intermediates from Plastic Waste; Role of Temperature, Catalyst, and Reactor Conditions, Journal of the Indian Institute of Science., , (2024), DOI:10.1007/s41745-024-00447-3.
More SR and Jha SK, Multi-Site Red-Edge Excitation Shift Reveals the Residue-Specific Solvation Dynamics During the Native to Amyloid-like Transition of an Amyloidogenic Protein, J. Phys. Chem. B., IN PRESS, (2024).
Tamara V, Doke AA And Jha SK and Das A, Deciphering the Monomeric and Dimeric Conformational Landscapes of
the Full-length TDP-43 and the Impact of the C-terminal Domain, ACS Chem. Neurosci., 15, 4305 - 4321 (2024), DOI:10.1021/acschemneuro.4c00557.
Pillai M, Patil AD And Das A and Jha SK, Pathological mutations D169G and P112H electrostatically aggravate the amyloidogenicity of the functional domain of TDP-43, ACS Chem. Neurosci., 15, 4267 - 4283 (2024), DOI:10.1021/acschemneuro.4c00372.
Doke AA and Jha SK, Identification of a Hidden, Highly Aggregation-prone Intermediate of Full-length TDP-43 that Triggers its Misfolding and Amyloid Aggregation, Biochemistry., 63, 63, 3100?3 - 3113 (2024), DOI:10.1021/acs.biochem.4c00389.
Patni D, Patil AD, Kirmire MS And Jha A and Jha SK, DNA-mediated formation of phase-separated coacervates of the nucleic acid-binding domain of TAR DNA binding protein (TDP-43) prevents its amyloid-like misfolding, ACS Chem. Neurosci., 15, 4105 - 4122 (2024), DOI:10.1021/acschemneuro.4c00117.
Sachin D. Mahale, Vinita Yadav, Rajesh G. Gonnade And Santosh B. Mhaske, Regio- and Stereoselective Construction of 1,3,5-Triaroylcyclohexanes via KOtBu-Mediated Cyclotrimerization of Aryl Vinyl Ketones, The Journal of Organic Chemistry., 89, 23, 17207 - 17212 (2024), DOI:https://doi.org/10.1021/acs.joc.4c01695.
Kishor V. Khopade, Nikhita S. Rajput, Raghavendrakumar Rangappa, Nagaraju Barsu* And Samir H. Chikkali*, Depolymerization of Waste Polyethylene to Linear Alkenes via
Sequential Dehydrogenation and Metathesis, Green Chem., 26, 10558 - 10566 (2024), DOI:DOI:10.1039/D4GC03646H.
Seena Joseph*, Abhijith Menon, Ashish K. Lele* And Samir H. Chikkali*, Linear poly(lactic acid) ionomers with pendant ionic groups, New J. Chem., 48, 20304 - 20316 (2024), DOI:10.1039/D4NJ04170D.
Shraavya Rao, Xuepeng Deng, Changlong Zou, Babul Prasad, Yang Han, Li-Chiang Lin And WS Winston Ho, Kinetic H2S/CO2 Selectivity in an Exceptionally Sterically Hindered Amine Membrane, Journal of Materials Chemistry A., 12, 29138 - 29144 (2024), DOI:https://doi.org/10.1039/D4TA04997G.
Sameer R. Sonavane, Tushar B. Kale, Gaurang J. Bhatt And Santosh B. Mhaske, Organophotoredox-Catalyzed Decarboxylative Carbon-Heteroatom Bond Formation: Access to Ampakine APIs and Quinazolinone Alkaloids, ChemRxiv (Preprint)., , (2024), DOI:https://doi.org/10.26434/chemrxiv-2024-6lql3.
Tushar Kale, Sayali Jagtap And Santosh Mhaske, NHC-Catalyzed Transition-Metal-Free Allylation of Aldehydes with MBH Carbonates and Their Michael Addition-Elimination-Cope Rearrangement Cascade: Facile Access to Sacubitril API, ChemRxiv (Preprint)., , (2024), DOI:https://doi.org/10.26434/chemrxiv-2024-44l9s.
Maulali H. Shaikh, Rohan V. Ramekar, Shailaja Jawoor, Soumya R. Dash, Rajkumar S. Birajdar, Sandip B. Pawal, Nandakumar Thenmani, Kumar Vanka And Samir H. Chikkali* , Designing of Imine Thiophene-ligated Metal-complexes and Implication in Ethylene Polymerization, J. Macromol. Sci. Part A: Pure & Appl. Chem., 61, 874 - 884 (2024), DOI:10.1080/10601325.2024.2409753.
Kishor V. Khopade, Nikhita S. Rajput, Raghavendrakumar Rangappa And Nagaraju Barsu * and Samir H. Chikkali *, Depolymerization of waste polyethylene to linear alkenes via sequential dehydrogenation and metathesis, Green Chemistry., 26, 10558 - 10566 (2024), DOI:https://doi.org/10.1039/D4GC03646H.
Ganeshdev Padhi, Vaibhav Ramachandra Pansare, Priyam Bajpai, Gamidi Rama Krishna, Kumar Vanka And and Nagaraju Barsu*, Depolymerization of Waste Polycarbonates to Value-Added
Products, ChemSusChem., , e2024007 (2024), DOI:https://doi.org/10.1002/cssc.202400756.
Sambhaji S. Ghadge, Shubham R. Bankar And and Vrushali H. Jadhav*, Selective Oxidation of Biomass derived 5-Hydroxymethylfurfural (HMF) to 2,5-Diformylfuran (DFF) over Spent Dry cell battery cathode material (BCM-2), ACS Applied Engineering Materials., , (2024), DOI:https://doi.org/10.1021/acsaenm.4c00537.
Mudita Shukla And Ram Rup Sarkar*, Differential cellular communication in tumor immune microenvironment during early and advanced stages of lung adenocarcinoma, Molecular Genetics and Genomics., Volume 299, article number 100, (2024), DOI:https://doi.org/10.1007/s00438-024-02193-8.
Shibam Pal, Utreshwar Gavhane And Asha Syamakumari, Biocompatible PVAc-g-PLLA Acrylate Polymers for DLP 3D Printing with Tunable Mechanical Properties, ACS Applied Materials & Interfaces 2024., , (2024).
Anirudh Murali And Ram Rup Sarkar*, Dynamic cellular responses to gravitational forces: Exploring the impact on white blood cell(s), Biomicrofluidics., Volume 18, Issue 5, (2024), DOI:https://doi.org/10.1063/5.0216617.
Mudita Shukla, Rupa Bhowmick, Piyali Ganguli And Ram Rup Sarkar*, Metabolic reprogramming and signalling cross-talks in tumour–immune interaction: a system-level exploration, Royal Society Open Science., Volume 11, Issue 3, (2024), DOI:https://doi.org/10.1098/rsos.231574.
Anirudh Murali And Ram Rup Sarkar*, Gravitational effect on the cell in bio-fluid suspension, bioRxiv., , (2024), DOI:https://www.biorxiv.org/content/10.1101/2024.04.22.590537v2.
Akash Yadav · Ratnesh Jha · Akash Bhatkar · Aditi Kamble · Vishal Vaishnav · Shivamurthy P. Bogalera · Marimuthu Manikandan · Girish Praveen Nayaka · Shubhangi Umbarkar · Thirumalaiswamy Raja · Kushal D. Bhatte, An efective, facile, and rapid synthesis of nanosized Mn3O4
using a microwave route, Journal of Nanoparticle Research., 26, 239 (2024), DOI:https://doi.org/10.1007/s11051-024-06148-3. (IF: 2.3).
Pillai M and Jha SK, Conformational Enigma of TDP-43 Misfolding in Neurodegenerative Disorders, ACS Omega., 9, 40286 - 40297 (2024), DOI:doi.org/10.1021/acsomega.4c04119.
Ehtesham Anwar, Palak Patel, Mohit Sharma And Sarika Maitra Bhattacharyya, Exploring the soft pinning effect in the dynamics and the structure–dynamics correlation in multicomponent supercooled liquids, Journal of chemical physics., 161, 154501 (2024), DOI:10.1063/5.0230932, arXiv:2407.19189.
Aryan Anurath Wavhal, Swati Dilwale, Priyanka Pandinhare Puthiyaveetil, Navnath R. Kakade And a Sreekumar Kurungot* and Asha SK*, High-Voltage Symmetric Supercapacitor Electrodes Via In Situ Synthesized Multiwalled Carbon Nanotube-Doped Perylenebisimide-Based Donor–Acceptor Conjugate Polymer P(PDI2OD-T2), J. Phys. Chem., , (2024), DOI:https://doi.org/10.1021/acs.jpcc.4c02345.
Gorakh Ghuge, Arun Torris And Kiran Nair, Biobased Reusable Nonisocyanate Polyurethane Hot-Melt Adhesives with Potential Chemical Degradability, ACS Applied Polymer Materials., 6 (18), 11180 - 11192 (2024), DOI:10.1021/acsapm.4c01526.
Ingole K B, Deshmukh S, Tushar V, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Triazatruxene Amine Donor-Based Visible-Light Responsive Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells, ACS Appl. Energy Mater., 7, 7982 - 7991 (2024), DOI:10.1021/acsaem.4c01591.
Singh A, Singh A K, Dixit R, Vanka K, Krishnamoorthy K And Nithyanandhan J, Effect of Position of Donor Units and Alkyl Groups on Dye-Sensitized Solar Cell Device Performance: Indoline–Aniline Donor-Based Visible Light Active Unsymmetrical Squaraine Dyes, ACS Omega., 9, 16429 - 16442 (2024), DOI:10.1021/acsomega.4c00123.
Swapnali P. Kirdant And Shubham R. Bankar And Vrushali H. Jadhav*, Direct oxidation of alcohols to carboxylic acids using simple and economical Pd@Glu-HTC catalyst: Practical and scalable approach towards biomass based value added chemicals, Biomass & Bioenergy., , (2024), DOI:https://doi.org/10.1016/j.biombioe.2024.107290.
V. Sudrik, D. Karpe, V. H. Jadhav And S. Lawande , Efficient one-pot process for synthesis of antiviral drug Ganciclovir, Journal of Chemical Science., 136, 71 (2024), DOI:https://doi.org/10.1007/s12039-024-02303-4.
Debtirtha Banik, Anil K. Kinage And Satyam Naidu Vasireddy*, Evaluation of reaction kinetics for chemoselective hydrogenation of citral for intensification of citral intermediates using copper-based catalysts, Indian Chemical Engineer., , (2024), DOI:10.1080/00194506.2024.2390068.
Satyam Naidu Vasireddy* And Sreenivas Jayanti, Power generation with negative CO2 emissions through bio?electricity
with CCS using dry co?gasification of coal?biomass blends, Clean Technologies and Environmental Policy., , (2024), DOI:10.1007/s10098-024-03001-y.
Farahanaz M. Bagwan, Pavan Dongapure, Amol A. Kulkarni And Satyam Naidu Vasireddy*, Experimental and kinetic modelling studies for the design of fixed bed methanol reactor over CuZA catalyst, Chemical Engineering Research and Design., 205, 79 - 90 (2024), DOI:https://doi.org/10.1016/j.cherd.2024.03.032.
Manish Kumar And Pawan Kumar and Utpal Das*, Photocatalytic Oxidation of ?-Substituted Amines to Lactams/Amides, Advanced Synthesis & Catalysis., -, - - - (2024), DOI:10.1002/adsc.202400871.
Ashwini Verma, Nikhil Wilson And Kavita Joshi, Solid state hydrogen storage: decoding the path through machine learning, International Journal of Hydrogen Energy., 50, 1518 - 1528 (2024), DOI:https://doi.org/10.1016/j.ijhydene.2023.10.056.
We present a machine learning (ML) framework HEART (HydrogEn storAge propeRty predicTor) for identifying suitable families of metal alloys for hydrogen storage under ambient conditions. Our framework includes two ML models that predict the hydrogen storage capacity (HYST) and the enthalpy of hydride formation (THOR) of multi-component metal alloys. We demonstrate that a chemically diverse set of features effectively describes the hydrogen storage properties of the alloys. In HYST, we use absorption temperature as a feature which improved H2wt% prediction significantly. For out-of-the-bag samples, HYST predicted H2wt% with R2 score of 0.81 and mean absolute error (MAE) of 0.45 wt% whereas R2 score is 0.89 and MAE is 4.53 kJ/molH2 for THOR. These models are further employed to predict H2wt% and
H for
6.4 million multi-component metal alloys. We have identified 6480 compositions with superior storage properties (H2wt%
2.5 at room temperature and
H
60 kJ/molH2). We have also discussed in detail the interesting trends picked up by these models like temperature dependent variation in the rate of hydrogenation and alloying effect on H2wt% and
H in different families of alloys. Importantly certain elements like Al, Si, Sc, Cr, and Mn when mixed in small fractions with hydriding elements like Mg, Ti, V etc. systematically reduce
H without significantly compromising the storage capacity. Further upon increasing the number of elements in the alloy i.e from binary to ternary to quaternary, the number of compositions with lower enthalpies also increases. From the 6.4 million compositions, we have reported new alloy families having potential for hydrogen storage at room temperature. Finally, we demonstrate that HEART has the potential to scan vast chemical spaces by narrowing down potential materials for hydrogen storage.
S Mehta, M Kasabe, S Umbarkar And K Joshi, From Digital Blueprint to Chemical Reality: Methanol to Formaldehyde at Ambient Conditions, Applied Surface Science., 669, 160527 (2024), DOI:https://doi.org/10.1016/j.apsusc.2024.160527.
Partial oxidation of methanol to value-added products presents an intriguing and challenging process. Among these products, formaldehyde is the simplest and one of the most vital aliphatic aldehydes, with extensive application across various domains. Industrially, silver and iron-molybdenum oxides are used as catalysts for converting methanol to formaldehyde at elevated temperatures (600? C and 250-400? C, respectively). However, in this computational and experimental study, we have demonstrated the efficacy of ZnO as a catalyst. Notably, in the presence of ZnO, methanol readily converts to formaldehyde even under ambient conditions. We employed periodic density functional theory (DFT) to explore the (1011) facet of ZnO to elucidate its interaction with methanol. Our comprehensive analysis identified the most active facet (1011) involved in the spontaneous conversion of methanol to formaldehyde. Subsequently, experimental validation supported our theoretical findings, demonstrating the conversion of methanol to formaldehyde with 100% selectivity at room temperature and atmospheric pressure in the presence of ZnO. This study exemplifies the pivotal role of theory in catalyst design.
N Wilson, AD Verma, PR Maharana, AB Sahoo And K Joshi, HyStor: An Experimental Database of Hydrogen Storage Properties for Various Metal Alloy Classes, International Journal of Hydrogen Energy., , (2024), DOI:https://doi.org/10.26434/chemrxiv-2024-6.
In this work, we introduce the HyStor database, consisting of 1280 metal alloys along with their hydrogen storage capacities (H2wt%) as a function of absorption temperature. Given the lack of updates in the existing open-access HydPark database since 2002, we sourced compositions from recent research articles and various patent documents, resulting in a total of 468 compositions. The addition is reflected in the data across all existing classes of alloy compositions, and low entropy alloys (LEA), medium entropy alloys (MEA), and high entropy alloys (HEA) have been included. This has broadened the scope of the database to encompass the latest materials of interest for hydrogen storage. HyStor contains a representation of 54 elements, with a temperature range of 200-800K and an H2wt% range of 0.1-7.19. To ensure data quality, we conducted thorough checks for duplicate entries, erroneous data, and conflicting compositions within the database. Furthermore, we conducted multiple tests to identify potential outlier compositions by benchmarking the database against the pre-trained HYST model on HydPark data. After eliminating these potential outliers, we successfully improved the error metrics of the HYST model, reducing the Mean Absolute Error (MAE) from 0.32 to 0.28 and increasing the R2 score from 0.78 to 0.82. We also tested individual classes and observed that the performance of the HYST model has increased for the majority of the classes.
Aritra Bhowmik, Sanjivani Bamane And and Manish Kumar Mishra*, Structural Basis for Two-Dimensional Flexible Pharmaceutical Solvate Crystal: Indomethacin Methanol, CrystEngComm., , (2024), DOI:https://doi.org/10.1039/D4CE00920G (Just Accepted).
Mollah Rohan Ahsan, Harshit Varma, Manish Kumar Mishra And Arijit Mukherjee, Template-Assisted Visible Light-Induced [2 + 2] Photodimerization in a Pseudopolymorphic Binary Solid: Topotactic Transformation vs Photoinduced Crystal Melting, Crystal Growth & Design., 24, 5193 - 5199 (2024), DOI:https://doi.org/10.1021/acs.cgd.4c00426.
Amol C. Chandanshive, Rajesh G. Gonnade And Samir H. Chikkali*, Thermally Stable P-Chiral Supramolecular Phosphines, their Self-Assembly and Implication in Rh-Catalyzed Asymmetric Hydrogenation, Chem. Eur. J., 30, e202401077 (2024), DOI:10.1002/chem.202401077.
Debasmita Chatterjee, Amritha Sajeevan, Sandipan Jana, Rajkumar S. Birajdar, Samir H. Chikkali, Swaminathan Sivaram* And Sayam Sen Gupta*, Solvent-free Hydroxylation of Unactivated C-H bonds by Fe-complex: A Green Approach for Activation of Small Molecules and Macromolecules, ACS Catal., 14, 7173 - 7181 (2024), DOI:10.1021/acscatal.4c00775.
https://pubs.acs.org/doi/full/10.1021/acscatal.4c00775 (Featured in C&EN: https://cen.acs.org/synthesis/c-h-activation/Mechanochemical-reaction-oxidizes-CH-bonds/102/web/2024/05)
Anirban Sen, Tanuja Tewari, Rohit Kumar, C. P. Vinod, Himanshu Sharma, Kumar Vanka And Samir H. Chikkali*, Iron-catalyzed (E)-selective hydrosilylation of alkynes: Scope and mechanistic insights, Catal. Sci. Technol., 14, 2752 - 2760 (2024), DOI:10.1039/D3CY01775C.
Anuradha V Jagtap, Pawan Kumar, Sharad Gupta, Abharana Nagendra, Shambhu Nath Jha, Dibyendu Bhattacharyya, Thalasseril G Ajithkumar And CP Vinod*, Atmospheric-Pressure Continuous-Flow Methane Oxidation to Methanol and Acetic Acid Using H2O2 over the Au–Fe Catalyst, ACS Sustainable Chemistry & Engineering., 12, 23, 8958 - 8967 (2024), DOI:10.1021/acssuschemeng.4c02993.
Pragalbh Shekhar, Kento Kosugi, Himan Dev Singh, Rinku Kushwaha, Deepak Rase, Takumi Matsuzaki, Chitvan Jain, Piyush Singh, Yashraj Singh, C P Vinod, Mio Kondo*, Shigeyuki Masaoka* And Ramanathan Vaidhyanathan*, Resorcinol–Azodianiline Covalent Organic Framework Supported FeOOH Quantum Dot-Catalyzed Electrochemical Ammonia Synthesis under Ambient Conditions, Chemistry of Materials., , (2024), DOI:10.1021/acs.chemmater.4c00859.
V. S. Ajithkumar, Pratiksha B. Ghanwat, Sougata Saha, Swapan K. Pati* And Sakya S. Sen*, Stereodivergent sila-germylenation vs sila-stannylenation of an internal alkyne, Chem. Commun., 60, 9837 - 9840 (2024).
Jadhav A P, Singh A K, Pandya R, Vanka K, Krishnamoorthy K And Nithyanandhan J, Far-red Active Unsymmetrical Squaraine Dyes Containing N-Arylated Indoline Donors for Dye Sensitized Solar Cells, Photochem Photobiol., 100, 1116 - 1126 (2024), DOI:10.1111/php.13907.
Singh A, Singh A K, Dixit R, Vanka K, Krishnamoorthy K And Nithyanandhan J, Visible, Far-red and NIR Active Unsymmetrical Squaraine Dyes based on Extended Conjugation within the Polymethine Framework for Dye-sensitized Solar Cells, ACS Appl. Energy Mater., 7, 1461 - 1475 (2024), DOI:10.1021/acsaem.3c02610.
V. S. Ajithkumar, Nripen Khilari, Pratiksha B. Ghanwat, Geethu venugopal, Debasis Koley* And Sakya S. Sen*, Activation of carbon disulfide by a hypersilyl germylene, Dalton Trans., 53, 10814 - 10818 (2024).
Equal Contribution from first two authors; Selected as Cover Page
Someshwar B. Kale, Tejaswini A patil And Utpal Das*, Rongalite as a C1 Source: Sulfonylmethylation of Indoles with Aryl/Alkyl- Hydrazides and Sulfinates, J. Org. Chem., 89, 11347 - 11352 (2024), DOI:10.1021/acs.joc.4c01012.
Akhil Pathania And and Sayan Bagchi*, Slowdown of Solvent Structural Dynamics in Aqueous DMF Solutions, Chemical Physics Impact., , 100711 (2024), DOI:https://doi.org/10.1016/j.chphi.2024.100711.
B P Shivamurthy, G Santhosh And G P Nayaka, Role of Nanomaterials in Lithium-Ion Batteries, Apple Academic Press., 1 st Edition, 113 - 140 (2024), DOI:https://doi.org/10.1201/9781032684420. (Book Chapter).
G Santhosh And GP Nayaka, Metal Oxide Nanoparticles and Their Importance in Energy Devices, Apple Academic Press., 1 st Edition, (2024), DOI:https://doi.org/10.1201/9781032684420. (Book Chapter).
Vijayakrishnan Jeyavani, † Deepali Kondhekar, † Meema Bhati, Sahil Dev, Kavita Joshi, * R. Nandini Devi And * and Shatabdi Porel Mukherjee*, Remarkable SO2 and H2S Resistant Ability on CO Oxidation by Unique Pd/WO3 3D Hollow Sphere Nanocatalyst: Correlating Structure-Activity Relationships on SO2 Exposure
(Front Cover for ACS Applied Energy Materials; https://pubs.acs.org/toc/aaemcq/7/4), ACS Applied Energy Materials (Full Paper)., 7, 1476 - 1487 (2024), DOI:https://doi.org/10.1021/acsaem.3c02664.
IF: 6.4;
The Cover Art associated with the manuscript has been selected as the Front Cover for ACS Applied Energy Materials.
https://pubs.acs.org/toc/aaemcq/7/4
We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100% CO to CO2 conversion efficiency at 260 °C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1–21 h at 260–400 °C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 °C for 1–3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.
Vijayakrishnan Jeyavani, Shanmugasundaram Manoj And and Shatabdi Porel Mukherjee*, Effect of Transition Metals (Mn, Co, Ni, and Zn) in Size-Controlled Metal Ferrite Nanocrystals on the Electrocatalytic Oxygen Evolution Reaction, ACS Applied Nano Materials., 7, 17776 - 17785 (2024), DOI:https://doi.org/10.1021/acsanm.4c03007.
IF: 5.3 Metal ferrite (MFO) M2+Fe2O4 (M2+ = Mn, Co, Ni, and Zn)
nanocrystals (NCs) with a controlled size of ~4 nm were synthesized using stearic acid as the capping agent via a facile solvothermal method. The as-synthesized MnFe2O4 (MnFO), CoFe2O4 (CoFO), NiFe2O4 (NiFO), and ZnFe2O4 (ZnFO) NCs were characterized by XRD, FT-IR, Raman, XPS, TGA, TEM, and HRTEM analyses. The electrocatalytic oxygen evolution reaction (OER) is significant for future renewable
energy to produce pure hydrogen (H2) fuels through H2O splitting. However, because of the complex proton-coupled multielectron transfer process, it is kinetically quite challenging. Fe-containing transition metal-based electrocatalysts are well studied since it has been observed that Fe has a significant role in enhancing OER activity. It is wellknown that the size and shape of the Fe/ferrite-based nanoelectrocatalyst play a vital role
in electrocatalysis reactions. However, it is also critical to understand the effect of other earth-abundant and cost-effective transition metal ions (e.g., Mn, Co, Ni, and Zn) combined with Fe/ferrite NC-based OER electrocatalytic reactions while keeping the size of NCs constant and compare their electrocatalytic properties toward the development of advanced nanoelectrocatalysts, which is rarely studied to the best of the authors knowledge. Therefore, herein, the electrocatalytic properties for OER were examined by using the as-synthesized MnFO, CoFO, NiFO, and ZnFO NCs to understand the effect of metal ions (Mn, Co, Ni, and Zn) on the Fe-based nanoelectrocatalysts by keeping the size of the nanoelectrocatalysts constant at ~4 nm. Additionally, the influence of different substrates, e.g., carbon paper (CP) and nickel foam (NF), on the electrocatalytic activity of MFO (MnFO, CoFO, NiFO, and ZnFO) NCs was also compared. Interestingly, as an OER nanoelectrocatalyst, the CoFO NCs on the CP substrate show better electrochemical OER activity than other MFO NCs, with a Tafel slope value of 49.4 mV dec-1, an ECSA of 112 cm2, and a long-term stability of 24 h, which is comparatively higher than the other as-synthesized MFO NCs. On the other hand, MnFO NCs on the NF substrate show better electrochemical OER activity than the other as-synthesized MFO NCs. Therefore, this work highlights the effect of the substrate and the influence of transition metals, e.g., Mn, Co, Ni, and Zn, on size-controlled Fe-based nanoelectrocatalysts toward developing advanced OER electrocatalysts.
Randeep Singh, Babul Prasad And Young-Ho Ahn, Recent developments in gas separation membranes enhancing the performance of oxygen and nitrogen separation: A comprehensive review, Gas Science and Engineering., 123, 205256 (2024), DOI:https://doi.org/10.1016/j.jgsce.2024.205256.
Srijan Chatterjee, Samadhan H. Deshmukh, Tubai Chowdhury And and Sayan Bagchi*, Viscosity effects on the dynamics of diols and diol-based deep eutectic solvents, Photochemistry and Photobiology., 100, 946 - 955 (2024), DOI:https://doi.org/10.1111/php.13950.
Sushil Sakpal, Suranjana Chakrabarty, Kambham Devendra Reddy, Samadhan H. Deshmukh, Rajib Biswas*, Sayan Bagchi* And and Anup Ghosh*, Perturbation of Fermi Resonance on Hydrogen-Bonded > C?O: 2D IR Studies of Small Ester Probes, The Journal of Physical Chemistry B., 128, 4440 - 4447 (2024), DOI:https://doi.org/10.1021/acs.jpcb.3c06698.
Samadhan H. Deshmukh, Sushma Yadav, Tubai Chowdhury, Akhil Pathania, Sameer Sapra* And and Sayan Bagchi*, Probing surface interactions in CdSe quantum dots with thiocyanate ligands, Nanoscale., , (2024), DOI:https://doi.org/10.1039/D4NR01507J.
Ajmal Pandikassala, Maria Kurian, Pranav Gangadharan, Arun Torris And Sreekumar Kurungot, Advanced 3D Network of N-Doped Graphitic Carbon with FeNi Alloy Embedding for High-Performance Rechargeable Zn-Air Batteries, Advanced Sustainable Systems., 8 (7), 2400012 (2024), DOI:10.1002/adsu.202400012.
Ranjit S. Karche, Shubham R. Bankar And Vrushali H. Jadhav*, Alternative synthetic route for the pharmacophore of anticancer agent: Triazolopyridazine derivative, Tetrahedron Letters., , (2024), DOI:https://doi.org/10.1016/j.tetlet.2024.155193.
PA Kamble, CP Vinod, VK Rathod And M Lakshmi Kantam*, Hydrogenation of Glucose to Sorbitol by Using Nickel Hydroxyapatite Catalyst, ChemCatChem., 16 (9), e202301590 (2024), DOI:10.1002/cctc.202301590.
Alagar Raja Kottaichamy, Mohammed Azeezulla Nazrulla, Muskan Parmar, Ravikumar Thimmappa, Mruthyunjayachari Chattanahalli Devendrachari, Chathakudath Prabhakaran Vinod, Michael Volokh, Harish Makri Nimbegondi Kotresh, Menny Shalom And Musthafa Ottakam Thotiyl*, Ligand Isomerization Driven Electrocatalytic Switching, Angewandte Chemie., , (2024), DOI:10.1002/ange.202405664.
Geeta Pandurang Kharabe, Sidharth Barik, Sudheesh Kumar Veeranmaril, Aathira Nair, Rajith Illathvalappil, Athira Yoyakki, Kavita Joshi*, Chathakudath Prabhakaran Vinod* And Sreekumar Kurungot*, Aluminium, Nitrogen-Dual-Doped Reduced Graphene Oxide Co-Existing with Cobalt-Encapsulated Graphitic Carbon Nanotube as an Activity Modulated Electrocatalyst for Oxygen Electrocatalyst for Oxygen Electrochemistry Applications, Small., , (2024), DOI:10.1002/smll.202400012.
IN Chakraborty, V Jain, P Roy, P Kumar, CP Vinod And PP Pillai*, Photocatalytic Regeneration of Reactive Cofactors with InP Quantum Dots for the Continuous Chemical Synthesis, ACS Catalysis., 14 (9), 6740 - 6748 (2024), DOI:10.1021/acscatal.4c00817.
Debabrata Bagchi, Mohd Riyaz, Jithu Raj, Soumyabrata Roy, Ashutosh Kumar Singh, Arjun Cherevotan, Chathakudath P Vinod And Sebastian C Peter*, Unraveling the Cooperative Mechanisms in Ultralow Copper-Loaded WC@NGC for Enhanced CO2 Electroreduction to Acetic Acid, Chemistry of Materials., 36 (7), 3464 - 3476 (2024), DOI:10.1021/acs.chemmater.4c00405.
PA Kamble, CP Vinod, VK Rathod And ML Kantam*, Hydrogenation of furfural to tetrahydrofurfuryl alcohol over nickel-supported on organoclay catalyst, Applied Catalysis A: General., 674, 119621 (2024), DOI:10.1016/j.apcata.2024.119621.
Navnath R. Kakde, Himanshu Sharma, Nitin V. Dalvi, Kumar Vanka And and Asha S.K*, Rational Monomer Design for the Synthesis of Conjugated Polymers by Direct Heteroarylation Polymerization, ACS Polymer AU., , (2024), DOI:https://doi.org/10.1021/acspolymersau.4c00050.
H Pandya, CP Vinod, V Rathod And ML Kantam, Kinetic Model of Hydrogenation of Glucose to Sorbitol on a Ni/Bentonite Catalyst, Industrial & Engineering Chemistry Research., 63 (11), 4771 - 4781 (2024), DOI:10.1021/acs.iecr.3c03808.
Rahul Mahadeo Mendhe, Ritwik Mondal, Alagar Raja Kottaichamy, Akshay Haridas, Harish Makri Nimbegondi Kotresh, Chathakudath Prabhakaran Vinod, Ravikumar Thimmappa And Musthafa Ottakam Thotiyl*, Fuel from waste: electrosynthesizing ammonia directly from agricultural digestate through ligand isomerization, Green Chemistry., 26, 6490 - 6500 (2024), DOI:10.1039/D4GC00740A.
Shibam Pal, Yogesh Gaikwad And Asha SK, Room Temperature Photocurable PEEK Polymer Formulations for High-Performance 3D Printing Applications, ACS Appl. Eng. Mater., 2,6, 1450 - 1459 (2024), DOI:https://doi.org/10.1021/acsaenm.4c00275.
R Madampadi, AB Patel, CP Vinod, R Gupta And D Jagadeesan*, Facile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction, Nanoscale Advances., 6 (11), 2813 - 2822 (2024), DOI:10.1039/D4NA00141A.
A Sen, T Tewari, R Kumar, CP Vinod, H Sharma, K Vanka And SH Chikkali*, Iron-catalyzed (E)-selective hydrosilylation of alkynes: scope and mechanistic insights, Catalysis Science & Technology., 14 (10), 2752 - 2760 (2024), DOI:10.1039/D3CY01775C.
Sanchayita Mukhopadhyay, Alagar Raja Kottaichamy, Mruthyunjayachari Chattanahalli Devendrachari, Rahul Mahadeo Mendhe, Harish Makri Nimbegondi Kotresh, Chathakudath Prabhakaran Vinod And Musthafa Ottakam Thotiyl*, Electrochemical energy storage in an organic supercapacitor via a non-electrochemical proton charge assembly, Chemical Science., 15, 1726 - 1735 (2024), DOI:10.1039/D3SC05639B.
Naeemakhtar Momin, J. Manjanna, Satoru Kobayashi, S.T. Aruna, S. Senthil Kumar, Tokeer Ahmad, G.P. Nayaka, Mubeen B, Sandip Sabale Mrunal V. Kangralkari And Rangappa S. Keri, Reconstituting the microstructural properties and ionic conductivity of
copper - doped yttria-stabilized zirconia via mechanochemical synthesis for
intermediate-temperature solid oxide fuel cell applications, Ceramics International., , (2024), DOI:https://doi.org/10.1016/j.ceramint.2024.06.326 (IF:. 5.1).
Archana Rai And Utpal Das*, Accessing meta-Enone-Substituted Anisoles using ArN2BF4 as
Precatalyst via Rearrangement of Alkyne-Tethered Cyclohexadienones, Synthesis., 56, A - H (2024), DOI:10.1055/a-2331-9439.
Nalayeni Kumaravel, Leonard Barnabas Ebinezer, N.M.R. Ashwin, Cinzia Franchin, Ilaria Battisti, Paolo Carletti, Amalraj Ramesh Sundar, Antonio Masi, Palaniyandi Malathi, Rasappa Viswanathan And Giorgio Arrigoni, Comparative proteomics of sugarcane smut fungus - Sporisorium scitamineum unravels dynamic proteomic alterations during the dimorphic transition, Journal of Proteomics., 304, 105230 (2024), DOI:https://doi.org/10.1016/j.jprot.2024.105230.
Gargi Kundu, P R Amrutha, Srinu Tothadi And Sakya S Sen*, Saturated NHC-Stabilized Borenium, Boronium, Hydride-Bridged Boron Cations, and a Bora-Acyl Chloride, Organometallics., 43, 1355 - 1361 (2024).
Equal Contribution from first two authors
Rajat Mishra, Mounika Anne, Sayan Das, Tarunikaa Chavva, Manjusha V. Shelke And Vilas G. Pol, Glory of Fire Retardants in Li-Ion Batteries: Could They Be Intrinsically Safer?, Advanced Sustainable Systems., , 2400273 (2024), DOI:https://doi.org/10.1002/adsu.202400273.
Poonam Yadav, Anoushka K. Das, Arun Torris, Kundan Wasnik, H. V. S. R. Murthy Koppisetti, Vilas G. Pol, Vilas Shelke And Manjusha Shelke*, Wide temperature enhanced sodium storage in tailored, sustainable sodiophilic biphasic N-doped carbon, Materials Today Chemistry., 37, 101978 (2024), DOI:https://doi.org/10.1016/j.mtchem.2024.101978.
Bogalera Papaiah Shivamurthy, Marulasiddappa Thripuranthaka, Manjusha V. Shelke And Girish Praveen Nayaka*, Influence of the Crystal Plane Orientation in Enhancing the Electrochemical Performance of a Trication-Substituted Cathode for Li-Ion Batteries, Energy Fuels., 38, 4653 - 4665 (2024).
Sristi Majumdar, Devipriya Gogoi, Purna K. Boruah, Ashutosh Thakur, Priyakhee Sarmah, Parishmita Gogoi, Sanjib Sarkar, Priyakshi Pachani, Prasenjit Manna, Ratul Saikia, Vikash Chaturvedi, Manjusha V. Shelke And Manash R. Das, Hexagonal Boron Nitride Quantum Dots Embedded on Layer-by-Layer Films for Peroxidase-Assisted Colorimetric Detection of ??Galactosidase Producing Pathogens, ACS Applied Materials & Intefaces., 16, 26870 - 26885 (2024), DOI:https://doi.org/10.1021/acsami.4c01565.
Bagad, P. K.; Darole, R. S.; Krishna, G. R.; Senthilkumar And B, Highly Selective C-N and C-S Dual Functionalization of 1,3-Dicarbonyl Derivatives using TBHP as an Oxidant, J. Org. Chem., (Accepted), (2024), DOI:10.1021/acs.joc.4c00612.
Neha Kaushal, Sonu Sarraf, Aviru K. Basu, Sunita Mishra And Avishek Saha*, Facile microwave synthesis of Zinc Ferrite@NCDs for photocatalytic degradation of fluoroquinolone antibiotics, Materials Chemistry and Physics., 314, 128823 (2024), DOI:https://doi.org/10.1016/j.matchemphys.2023.128823.
Arindam Saha, Vasantharadevi Murugiah, Ravi Ranjan, Inderjeet Chauhan, Kshirodra Patra, Himanshu Bajpai, Avishek Saha And Gopinath S Chinnakonda, Design of Bi-functional Oxide Electrode for Selective Oxidative C-C Cleavage of Glycerol to Formate and Synchronized Green Hydrogen Production, Sustainable Energy & Fuels., , (2024), DOI:DOI: 10.1039/D4SE00434E.
Manshu Dhillon, Abhishek Naskar, Neha Kaushal, Shekhar Bhansali, Avishek Saha And Aviru Basu, Novel GO hoisted SnO2-BiOBr bifunctional catalyst for the remediation of organic dyes under the illumination of visible light and electrocatalytic water splitting, Nanoscale., , (2024), DOI:DOI: 10.1039/D4NR01154F.
Sonu Sarraf, Neha Kaushal, Vibhas Chugh, Adhiraj Sundar, Avishek Saha And Aviru K. Basu, Visible light-assisted ferro-photocatalytic application of bismuth ferrite nanoparticles synthesized at low temperature, Journal of Materials Science., 59, 1513 - 1525 (2024), DOI:doi.org/10.1007/s10853-023-09278-6.
Manisha Aher, Vaijayanti A. Kumar And Moneesha Fernandes , Implications of Natural 3'-5'- Linkages in the Loop Region of Isomeric 2'-5'-Linked Thrombin-Binding Aptamer, ChemistrySelect., 9, e202304254 (2024), DOI:10.1002/slct.202304254.
Das S, Chowdhury C, Kumar SP, Roy D, Gosavi SW And Sen R, Microbial production of N-acetyl-D-glucosamine (GlcNAc) for versatile applications: Biotechnological strategies for green process development, Carbohydr Res., 536, 109039 (2024), DOI:10.1016/j.carres.2024.109039.
Shinde YD And Chowdhury C, Potential utility of bacterial protein nanoreactor for sustainable in-situ biocatalysis in wide range of bioprocess conditions, Enzyme Microb Technol., 173, 110354 (2024), DOI:10.1016/j.enzmictec.2023.110354.
Doke AA And Jha SK, Electrostatics choreograph the aggregation dynamics of full-length TDP-43 via a monomeric amyloid precursor, Biochemistry., , (2024), DOI:10.1021/acs.biochem.4c00060.
Ajay Kumar, Gangadhar Hattale, Sarika Hinge, Gauri Kulkarni, Dattatray J. Late And Rajesh Kanawade , Normal and diabetic foot sole skin mimicking tissue phantom fulfillment for spectroscopic-based DFU diagnostics perspective, AIP Advances., 14, 065014 (2024), DOI:https://doi.org/10.1063/5.0206988.
Priyanka Puthiyaveetil, Arun Torris, Swati Dilwale, Fayis Kanheerampockil And Sreekumar Kurungot, Cathode|Electrolyte Interface Engineering by a Hydrogel Polymer Electrolyte for a 3D Porous High-voltage Cathode Material in a Quasi-Solid-State Zinc Metal Battery by In Situ Polymerization, Small., , 2403158 (2024), DOI:10.1002/smll.202403158.
Rohit Kumar, Tanuja Tewari And Samir H. Chikkali*, Iron in Organometallic Transformations: A Sustainable Substitute for Noble Metals, ChemCatChem., , (2024), DOI:10.1002/cctc.202400756.
S. M. Suryawanshi, S. Sahoo, P. S. Shaligram, N. Manna And R. C. Samanta*, Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and ?-dicarbonyls, Chem. Commun., 60, 5836 - 5839 (2024), DOI:10.1039/d4cc01263a.
Sanjukta Pahar, Vishal Sharma, K. Vipin Raj, Mayur P. Sangole, Christy P. George, Kirandeep Singh, Kumar Vanka, Rajesh G. Gonnade And Sakya S. Sen, Tridentate NacNac Tames T-Shaped Nickel(I) Radical, Chem. Eur. J., 30, e202303957 (2024).
Gargi Kundu, P. R. Amrutha, Srinu Tothadi And Sakya S. Sen*, Access to NHC-Boryl Mono- and Bis-Selenide and Utility as Mild Selenium Transfer Reagent including to the C-F Bond, Chem. Eur. J., 30, e202302984 (2024).
Kishor L. Handore, Heyuan Lu, Hyeongbin Park, Qingyu Xiong And and Robert A. Batey, Synthesis of N-Hydroxysuccinimide Esters, N-Acylsaccharins, and Activated Esters from Carboxylic Acids Using I2/PPh3, J. Org. Chem., , (2024), DOI:https://doi.org/10.1021/acs.joc.4c00272.
Siwei Jiang, Jiaxu Cheng, G.P. Nayaka, Peng Dong, Yingjie Zhang, Yubo Xing, Xiaolei Zhang, Ning Du And Zhongren Zhou , Efficient electrochemical synthesis of Cu3Si/Si hybrids as negative electrode material for lithium-ion battery, Journal of Alloys and Compounds., 998, 174996 (2024), DOI:https://doi.org/10.1016/j.jallcom.2024.174996, (IF: 6.2).
Shibam Pal And S.K. Asha, Thiol-ene-based degradable 3D printed network from bio resource derived monomers ethyl-lactate and isosorbide, European Polymer Journal., 205, 112761 (2024), DOI:https://doi.org/10.1016/j.eurpolymj.2024.112761.
Shatabdi Porel Mukherjee, Prachi Kour, Arup Kumar Rath And Neha Dambhare, "HYBRID ORGANIC-INORGANIC PEROVSKITE COMPOUNDS FOR METAL ION SENSING APPLICATIONS AND PROCESS OF PREPARATION THEREOF", Indian Patent Application (filed as Provisional) Application number: 202411012563, dated 21-02-2024., , (2024).
Lavanya Korampattu, Sidharth Barik, Ajmal Pandikassala, Rajashri R. Urkude, Sreekumar Kurungot And and Paresh L. Dhepe, The Role of Nitrogen Doping in Modulating Ruthenium Nanocatalysts for Enhanced Electrochemical Hydrogen Evolution Reaction in Alkaline Medium, Chemistry of Materials, ACS., , (2024), DOI:https://doi.org/10.1021/acs.chemmater.3c03169.
Lavanya Korampattu, Neha Ghosh And Paresh L. Dhepe, Shell waste valorization to chemicals: methods and progress, Green Chemistry,2024, Advance Article., , (2024), DOI:https://doi.org/10.1039/D3GC05177C.
Shinde DR, Krishna GR And and Marelli UK, Metal-Free One-Pot Domino Synthesis of Oxazolidinethione Derivatives of Quaternary Amino Acids from ?-Amino Esters and Aldehydes Using CS2, J. Org. Chem., , (2024), DOI:https://doi.org/10.1021/acs.joc.3c02217.
Kavita Thakkar And Kavita Joshi, Exploring the Catalytic Potential of Mg-Cu Alloys for Enhanced Activity toward CO$_2$ Hydrogenation, Molecular Catalysis., 556, 113839 (2024), DOI:https://doi.org/10.1016/j.mcat.2024.113839.
CO$_2$, a well-known greenhouse gas, is a potential raw material that can produce various chemicals. Dissociation of CO$_2$ to CO or hydrogenation to formate (HCOO$^*$) or carboxyl (COOH$^*$) intermediate is crucial in determining the reaction pathway for CO$_2$ conversion. In this work, we demonstrate that alloys of Mg-Cu exhibit greater activity toward activation and hydrogenation of CO$_2$ than transition metal alloys reported so far. Two different compositions of Mg-Cu, namely Mg$_2$Cu and MgCu$_2$, have been studied using periodic Density Functional Theory (DFT). Our investigations reveal that CO$_2$ chemisorbs on both intermetallic alloys. Coadsorption of CO$_2$ with H$_2$O leads to the spontaneous formation of COOH$^*$ over Mg$_2$Cu(224), whereas a negligible barrier (0.04 eV) is observed for MgCu$_2$(311). HCOO$^*$ formation has a barrier of 0.34 eV and 0.42 eV on Mg$_2$Cu(224) and MgCu$_2$(311), respectively. Dissociation of CO$_2$ to CO is kinetically unfavourable on both compositions of Mg-Cu. We provide a rationale for the observed activity by analyzing the electronic structure. Notably, the spontaneous hydrogenation of CO$_2$ makes earth-abundant metals suitable candidates for alloying that await experimental verification.
K Thakkar, A Bajpai, S Kumar And K Joshi, Boosting hydrogen production at room temperature by synergizing theory and experimentation, ChemRxiv., , (2024), DOI:https://doi.org/10.26434/chemrxiv-2024-hlhr5.
Methane is a major constituent of natural gas and is widely used in hydrogen production. However, its high symmetry poses a challenge, as breaking the strong C-H bond requires substantial energy input. Hence, there is a pressing need to develop efficient catalysts for methane conversion. By synergizing theory and experimentation, the search for a better catalyst can be accelerated, potentially boosting methane conversion processes. In the present work, theoretical findings prompted the experiments, which revealed the spontaneous dissociation of CH4 on selected facets of ?-Ga2O3. Additionally, the activation barrier for ethane formation was merely 0.1 eV. NTP-assisted conversion of methane in the presence of ?-Ga2O3 confirmed these findings. The formation rate of hydrogen and ethane rises to 366 µmolg?1h?1 and 86.62 µmolg?1h?1, respectively, in the presence of ?-Ga2O3, in contrast to 281.4 µmolg?1h?1 and 66 µmolg?1h?1 without catalysts. For the CH4-H2O reaction in the presence of ?-Ga2O3, there is an increase of 74.42% in the CO formation rate compared to the reaction without the catalyst. An electronic structure analysis revealed that electrophilic oxygen species on the ?-Ga2O3 (-202) surface play a vital role in the decomposition of methane, facilitating C-H bond cleavage.
Sunil L. Khamkar, Kishor L. Handore*, Harish M. Shinde And and D. Srinivasa Reddy*, Highly Stereoselective Diels–Alder-Based Strategy for the Synthesis of 3-epi-Formicin A and 1-epi-Formicin B, Organic Letters., ASAP, (2024), DOI:https://doi.org/10.1021/acs.orglett.4c01209.
Ajay Kumar, Gangadhar Hattale, Dnyandeo Pawar And Rajesh Kanawade, Fabrication and evaluation of a spatially resolved fiber-optic probe for diffuse reflectance measurement for noninvasive diabetic foot ulcer diagnosis perspective, Optical Engineering., 63, 044103 (2024), DOI:https://doi.org/10.1117/1.OE.63.4.044103.
Palak Patel And Sarika Maitra Bhattacharyya, Effect of the presence of pinned particles on the structural parameters of a liquid and correlation between structure and dynamics at the local level, Journal of chemical physics., 160, 164501 (2024), DOI:10.1063/5.0191680, arXiv:2312.10353.
C. Pradhan And B. Punji, Book Chapter: Topics in Heterocyclic Chemistry on "Functionalisation of Heterocycles/Heteroaromatics through Transition Metal Catalysed C-H Activation"
Chapter: Fe-Catalyzed Functionalization of Heterocycles through C-H Activation, Book Chapter, Springer., , (2024).
Ashwini Verma And Kavita Joshi, PCTpro: A Machine learning model for rapid prediction of Pressure-Composition-Temperature (PCT) isotherms, ChemRxiv., , (2024), DOI:https://doi.org/10.26434/chemrxiv-2024-g33f9.
G P Kharabe, S Barik, S Kumar, A Nair, R Illath- valappil, A Yoyakki, K Joshi, C. P. Vinod And S Kurungot, Aluminum, Nitrogen-Dual-Doped Reduced Graphene Oxide Coexisting with Cobalt Encapsulated Graphitic Carbon Nanotube as an Activity Modulated Electrocatalyst for Oxygen Electrochemistry Applications, Small., , (2024), DOI:Just accepted.
Aathira Nair And Kavita Joshi, What leads to direct epoxidation? An exhaustive DFT investigation of electrophilic oxygen-mediated epoxidation of ethylene on Ag(100), Computational Materials Science., 239, 112959 (2024), DOI:https://doi.org/10.1016/j.commatsci.2024.112959.
Extensive research has contributed to a better understanding of the commercially important epoxidation reaction. Selectivity, a crucial aspect of this reaction, has received significant attention in both experimental and theoretical investigations. However, a consensus regarding the role of electrophilic oxygen in epoxidation is yet to be reached. The present study is a theoretical examination of the prerequisites necessary for direct epoxidation to occur on the Ag(100) surface, at varied monolayer concentrations. Additionally, the study investigates the characteristics of various oxygen species interacting with ethylene to promote the direct epoxidation pathway. Based on the effective charges and projected density of states (pDOS) analysis, three oxygen variants were identified on the Ag(100) surface: atomic oxygen, dissociatively adsorbed molecular oxygen, and O
. The investigation reveals that all oxygen species, despite their physical and electronic differences, are electrophilic and undergo direct epoxidation. This work provides insights into the complex nature of epoxidation reaction and discusses electronic factors influencing the selective oxidation route on different Agsingle bondO complexes.
Vaishna Priya K, Geeta Pandurang Kharabe, Sidharth Barik, A. Peer Mohamed, Sreekumar Kurungot And Unnikrishnan Nair Saraswathy Hareesh, Co-Incorporated N-Doped Micro–Meso Porous Carbon as an Electrocatalyst for Oxygen Reduction Reaction and Zn–Air Battery, Energy & Fuels., Just Accepted Manuscript, (2024), DOI:10.1021/acs.energyfuels.4c00059.
Ajmal Pandikassala, Maria Kurian, Pranav K. Gangadharan, Arun Torris And Sreekumar Kurungot, Advanced Three-Dimensional Network of N-Doped Graphitic Carbon with FeNi Alloy Embedding for High-Performance Rechargeable Zn-Air Batteries, Advanced Sustainable Systems., Just Accepted Manuscript, (2024), DOI:10.1002/adsu.202400012.
Munshi Sahid Hossain, Meena Ghosh, Amit Mondal, Ajmal Pandikassala, Monochura Saha, C. Malla Reddy, Sreekumar Kurungot And Subhajit Bandyopadhyay , Water-chain mediated proton conductivity in mechanically flexible redox-active organic single crystals, Journal of Materials Chemistry A., 12, 5866 - 5874 (2024), DOI:10.1039/D3TA05797F.
Bandhana Devi And Sreekumar Kurungot , Conductive Metal-Organic Frameworks for Zinc-Air Battery Application: Design Principles, Recent Trends and Prospects, J. Mater. Chem. A., 12, 2605 - 2619 (2024), DOI:10.1039/D3TA03753C.
In this review, we presented an overview of the conductivity mechanism and the conductivity measurement techniques followed by the working principles of a ZAB and its requirements. Finally, the applications of the cMOFs for ZAB and their challenges along with future directions have been elucidated. We hope the review will be valuable for further expansion of the cMOF research in the area of ZAB
Poonam Yadav, Anoushka Das, Arun Torris, Kundan Wasnik, Heramba Koppisetti, Vilas Pol, Vilas Shelke And Manjusha Shelke, Wide Temperature Enhanced Sodium Storage in Tailored, Sustainable Sodiophilic Biphasic N-Doped Carbon, Materials Today Chemistry., 37, 101978 (2024), DOI:10.1016/j.mtchem.2024.101978.
Gargi Mukherjee , Ankur Verma, Arjun Hari Madhu, Bhagavatula L. V. Prasad* And and Subash Cherumannil Karumuthil*, Polymer Nanocomposites with UiO-Derived Zirconia Fillers for Energy Generation and Pressure-Sensing Devices: The Role of Crystal Structure and Surface Characteristics, ACS Applied Nano materials., , (2024), DOI:https://pubs.acs.org/doi/full/10.1021/acsanm.3c04730.
Rajashri B. Jundale , Bhagavatula L. V. Prasad, R. Nandini Devi And and Amol A. Kulkarni*, Continuous Flow Synthesis of Mesoporous Silica Particles with Tunable Size and Structure, ACS Industrial and engineering Chemistry Research., , (2024), DOI:https://pubs.acs.org/doi/full/10.1021/acs.iecr.3c03304.
Athira Chandran M a, c , Subash Cherumannil Karumuthil a , Ashutosh K. Singh a, c, **, Bhagavatula L.V. Prasad a, b, c And *, Electrodeposited CoeMneSn multicomponent alloy
as an efficient electrocatalyst for hydrogen
evolution reaction, International Journal Of Hydrogen Energy., , (2024), DOI:https://doi.org/10.1016/j.ijhydene.2023.07.064.
Kavita Thakkar And Kavita Joshi, Single-atom alloys of Cu(211) with earth-abundant metals for enhanced activity towards CO dissociation, Journal of Molecular Graphics and Modelling., 126, 108656 (2024), DOI:https://doi.org/10.1016/j.jmgm.2023.108656.
CO2, a byproduct from various industrial reactions, must not be released into the atmosphere and should be managed through capture, conversion, and utilization. The first step in converting CO2 into valuable products is to break the C–O bond. This work focuses on designing Single Atom Catalysts (SACs) by doping Cu(211) surface with 13 different s, p, and d block elements with an aim to minimize the activation barrier for C–O bond cleavage. Our work demonstrates that SACs of Mg/Al/Pt@Cu(211) favour CO2 chemisorption compared to Cu(211) where CO2 physisorbs. The barrier for CO2 dissociation is lowest for Mg@Cu(211) and it increases in the order Mg@Cu(211), Al@Cu(211), Pt@Cu(211),
Zn@Cu(211) Ga@Cu(211) Cu@Cu(211) Pd@Cu(211). These findings suggest that doping Cu(211) with earth-abundant metals like Mg can potentially be a viable catalyst for CO2 conversion, providing a promising solution to reduce carbon footprint and mitigate climate change.
Jeyavani Vijayakrishnan ; Deepali Kondhekar ; Meema Bhati ; Sahil Dev; Kavita Joshi; R. Nandini Devi; Shatabdi Porel Mukherjee, Remarkable SO2 and H2S Resistant Ability on CO Oxidation by Unique Pd/WO3 3D Hollow Sphere Nanocatalyst: Correlating Structure-Activity Relationships on SO2 Exposure, ACS Applied Energy Materials., 7, 1476 - 1487 (2024), DOI:https://doi.org/10.1021/acsaem.3c02664.
We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100% CO to CO2 conversion efficiency at 260 °C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1–21 h at 260–400 °C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 °C for 1–3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.
Sonali Naik, Arun Torris, Namita Choudhury, Naba Dutta And Kiran Nair, Biodegradable and 3D Printable Lysine Functionalized Polycaprolactone Scaffolds for Tissue Engineering Applications, Biomaterials Advances., 159, 213816 (2024), DOI:10.1016/j.bioadv.2024.213816.
Bogalera Papaiah Shivamurthy, Marulasiddappa Thripuranthaka, Manjusha V Shelke And Girish Praveen Nayaka*, Influence of the Crystal Plane Orientation in Enhancing the Electrochemical Performance of a Trication-Substituted Cathode for Li-Ion Batteries, Energy & Fuels., , (2024), DOI:https://pubs.acs.org/action/showCitFormats?doi=10.1021/acs.energyfuels.3c03794&ref=pdf.
Sahel Fajal, Writakshi Mandal, Arun Torris, Dipanjan Majumder, Sumanta Let, Arunabha Sen, Fayis Kanheerampockil, Mandar Shirolkar And Sujit Ghosh, Ultralight Crystalline Hybrid Composite Material for Highly Efficient Sequestration of Radioiodine, Nature Communications., 15, 1278 (2024), DOI:10.1038/s41467-024-45581-9.
Jadhav A P, Singh A K, Maibam A, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Aniline and Indoline Donors Based Far-Red Active Unsymmetrical Squaraine Dyes for Dye Sensitized Solar Cells, ChemPhotoChem., 8, e202300160 (2024), DOI:10.1002/cptc.202300160.
Darole, R. S.; Choudhary, S. S.; Sharma, H.; Mali, B. P.; Gopu, B.; Vanka, K.; Senthilkumar And B, Brønsted acid and Ni(II)-catalyzed C–H oxidation/
rearrangement of cyclotriveratrylenes (CTVs) to
cyclic and acyclic quinones as potential anticancer
agents, Org. Biomol. Chem., 22, 1038 - 1046 (2024), DOI:10.1039/d3ob01428b.
Rajkumar S. Birajdar, Rajesh G. Gonnade And Samir H. Chikkali*, Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine ligated Ni(II) complexes, Polym. Chem., 15, 292 - 302 (2024), DOI:10.1039/D3PY01010D.
Rohit Kumar, Biplab Mahata, S. Gayathridevi, K. Vipin Raj, Kumar Vanka And Sakya S. Sen*, Lanthanide Mimicking by Magnesium for Oxazolidinone Synthesis, Chem. Eur. J., 30, e202303478 (2024).
