Publications

Research Group Publications

 
 
  • 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. (Accepted)., NA, - - - (2024), DOI:NA.
  • Swapnali P. Kirdant, 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.
  • 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.
  • Premkumar Kothavade Premkumar Kothavade Polymer Science and Engineering Division, CSIR?National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, Maharashtra, India Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India RMIT Centre for Additive Manufacturing, School of Engineering, RMIT University, Carlton, Victoria 3053, Australia More by Premkumar Kothavade Orcidhttps://orcid.org/0000-0001-8878-7714 , Prashant Yadav, Animesh Gopal, Harshawardhan Pol, Abdullah Kafi, Stuart Bateman And 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.
  • Supriya Sahoo Supriya Sahoo Department of Chemistry, Indian Institute of Science Education and Research Pune, Dr. Homi Bhabha Road, Pune 411008, India More by Supriya Sahoo Orcidhttps://orcid.org/0000-0002-6896-7168 , 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.
  • 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 (Just Accepted)., , (2024).
  • 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, Just Accepted)., , (2024).
  • Mudita Shukla, Rupa Bhowmick, Piyali Ganguli And Ram Rup Sarkar, Metabolic reprogramming and signalling cross-talks in tumour–immune interaction: a system-level exploration, R. Soc. Open Sci., 11(3): 231574, (2024), DOI:10.1098/rsos.231574.
  • 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.
  • 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).
  • 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., Just Accepted Manuscript, (2024), DOI:10.1016/j.cej.2024.153589.
  • 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
  • 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., , (2024), DOI:https://doi.org/10.1016/j.mtchem.2024.102121.
  • 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., , (2024), DOI:https://doi.org/10.1016/j.chempr.2024.04.018.
  • 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.
  • S Mehta, M Kasabe, S Umbarkar And K Joshi, From Digital Blueprint to Chemical Reality: Methanol to Formaldehyde at Ambient Conditions, Applied Surface Science., Just Accepted, (2024), DOI:10.26434/chemrxiv-2024-5ckg0.
    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.
  • 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.
  • 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., , (2024), DOI:10.1002/chem.202401077.
  • 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.
  • A. B. Shabade, R. K. Singh, R. G. Gonnade And B. Punji, Manganese-Catalyzed Chemoselective Direct Hydrogenation of ?,?-Epoxy Ketones and ?-Ketoamides at Room Temperature, Adv. Synth. Catal., XX, XXXXX - XXXXX (2024), DOI:10.1002/adsc.202400267.
  • 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.
  • 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., , (2024), DOI:10.1039/D4DT01573H.
    Equal Contribution from first two authors
  • 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).
  • 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., Just Accepted Manuscript, (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.
  • 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.
  • 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.
    https://pubs.rsc.org/en/content/articlelanding/2024/cy/d3cy01775c
  • 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)
  • 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.
  • N Wilson, AD Verma, PR Maharana, AB Sahoo And K Joshi, HyStor: An Experimental Database of Hydrogen Storage Properties for Various Metal Alloy Classes, ChemRxiv., , (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.
  • 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.
  • 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., xxx, xxxx - xxxx (2024), DOI:10.1002/adsc.202400216.
  • 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.
  • 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.
  • Singh A, Singh A K, Dixit R, Vanka K, Krishnamoorthy K And Nithyanandhan J, Effect of Position of Donor Units and Alkyl Groups on Dye2 Sensitized Solar Cell Device Performance: Indoline?Aniline Donor3 Based Visible Light Active Unsymmetrical Squaraine Dyes, ACS Omega., 9, 16429 - 16442 (2024), DOI:10.1021/acsomega.4c00123.
  • 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., 00, 1 - 11 (2024), DOI:DOI: 10.1111/php.13907.
  • 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., Just Accepted Manuscript, (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., Just Accepted Manuscript, (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).
  • 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., Just Accepted Manuscript, (2024), DOI:10.1021/acs.chemmater.3c03169.
  • 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., Just Accepted Manuscript, (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.
  • 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.
  • 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.
  • 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., xx, xxxx - xxxx (2024), DOI:10.1002/ejoc.202400376.
  • 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
  • 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.
  • 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.
  • R. B. Pawar, M. H. Karmur And B. Punji, Ligand-free MnBr2-Catalyzed Chemo- and Stereoselective Hydroboration of Terminal Alkynes, Chem. Asian J., xx, xxxx - xxxx (2024), DOI:10.1002/asia.202400158.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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., , 2400012 (2024), DOI:10.1002/adsu.202400012.
  • 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.
  • S. Bansal And B. Punji, Chemodivergent Dehydrogenative Coupling of Alcohols by 3d Metal Catalysts, ChemCatChem., xx, xxxx - xxxx (2024), DOI:10.1002/cctc.202301558.
  • 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, 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 an upcoming issue of ACS Applied Energy Materials.
  • 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.
    https://www.nature.com/articles/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.
  • 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., xx, xxxx - xxxx (2024), DOI:YJCAT_115351.
  • 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).
  • S. Bansal And B. Punji, Nickel-Catalyzed Chemodivergent Coupling of Alcohols: Efficient Routes to Access ?,?-Disubstituted Ketones and ?-Substituted Chalcones, Chem. Eur. J., xx, e202304082 (2024), DOI:rg/10.1002/chem.202304082.
  • B. P. Shivamurthy, S. P. Kirdant, S. Katakam P. Rawat, V. H. Jadhav* And G. P. Nayaka*, Performance scrutiny of spent lithium-ion batteries cathode material as a catalyst for oxidation of benzyl alcohol, Next Sustainability., 3, 100017 (2024).
  • V. Tammara, R. Angrover, D. Sirur And A. Das, Flagellar motor protein-targeted search for the druggable site of Helicobacter pylori, Physical Chemistry Chemical Physics., , (2024), DOI:10.1039/D3CP05024F.
  • Yogeshwar P. Aher, Arun Torris, Benu Adhikari, Ravi Shukla And Kadhiravan Shanmuganathan*, Double encapsulation of liquid active compounds using nanoclay reinforced polyurea microcapsules, Colloids and Surfaces A: Physicochemical and Engineering Aspects., 679, 132547 (2023), DOI:https://doi.org/10.1016/j.colsurfa.2023.132547.
  • Someshwar B. Kale, Manish Kumar, Dinesh R. Shinde, Gamidi Rama Krishna And Utpal Das*, Synthesis of N-functionalized 2,3-disubstituted benzofurans/naphthofurans from para-quinone methides and isocyanides via the [4 + 1] annulation pathway, Org. Chem. Front., 10, 3746 - 3751 (2023), DOI:10.1039/D3QO00048F.
  • Pawan Kumar, Archana Rai, Manish Kumar, Gamidi Rama Krishna And Utpal Das*, Radical Cascade Cyclization of Unactivated Alkene-Tethered Indoles with Aryldiazonium Salt and Sodium Metabisulfite to Access Azo- and Sulfonylated-2,3-Dihyro-1H-pyrrolo[1,2-a]indoles, J. Org. Chem., 13, 9123 - 9129 (2023), DOI:10.1021/acs.joc.3c00759.
  • P. R. Patil, G. G. Dastane And A. B. Pandit, Numerical investigation of turbulent flow and heat transfer characteristics in the Improved Kenics static mixer, Heat Transfer., , (2023), DOI:https://doi.org/10.1002/htj.22940.
  • Atish A. Wagh, Vaijayanti A. Kumar, Sapna Ravindranathan And Moneesha Fernandes, Unlike RNA-TBA (rTBA), iso-rTBA, the 2'–5'-linked RNA-thrombin-binding aptamer, is a functional equivalent of TBA, Chem. Commun., 59, 1461 - 1464 (2023), DOI:10.1039/d2cc05718b.
  • Sutar AA, Dashpute RS, Shinde YD, Mukherjee S And Chowdhury C, A systemic review on fitness and survival of Salmonella in dynamic environment and conceivable way of its mitigation, Indian J Microbiol., , (2023), DOI:10.1007/s12088-023-01176-4.
  • Navnath R. Kakde And Asha S. K, Exploring SiliaCat Pd-DPP as a recyclable heterogeneous catalyst for the multi-batch direct heteroarylation polymerization for P(NDI2OD-T2), Polymer Chemistry., 14, 2803 - 2819 (2023), DOI:DOI https://doi.org/10.1039/D3PY00183K.
  • Akhila Das, Amrutha Melepurakkal, Pranav Sreeram, K.T. Gireesh, Neethu T.M. Balakrishnan, M.J. Jabeen Fatima, Abhilash Pullanchiyodan*, Jou-Hyeon Ahn*, Manjusha V. Shelke* And Prasanth Raghavan*, Exceptional cyclability of thermally stable PVdF-co-HFP/SiO2 nanocomposite polymer electrolytes for sodium ion batteries, Journal of Energy Storage., 73, Part C, 109026 (2023), DOI:https://doi.org/10.1016/j.est.2023.109026.
  • Amrutha Melepurakkal, Vikash Chaturvedi, Ojas Bangal, Ajeet Babu Parasumanna, Moqtik Bawase, Ujjwale Karle And Manjusha V Shelke*, A Feasibility Study of Utilizing Directly Recycled LiFePO4 Cathodes for Second Life Usage in Stationary Applications, IEEE International Transportation Electrification Conference (ITEC-India)., , 1 - 8 (2023), DOI:10.1109/ITEC-India59098.2023.10471442.
  • Priya Lokhande and Paresh L. Dhepe, Selective and Robust Ru Catalyst for the Aqueous Phase Aerobic Oxidation of Furfural to 2-Furoic Acid, ACS Appl. Mater. Interfaces 2023., , 47004 - 47015 (2023), DOI:https://doi.org/10.1021/acsami.3c09965.
  • Mohit Sharma, Manoj Kumar Nandi And Sarika Maitra Bhattacharyya, A comparative study of the correlation between the structure and the dynamics for systems interacting via attractive and repulsive potentials, Journal of chemical physics., 159, 104502 (2023), DOI:10.1063/5.0165417, arXiv:2306.16149.
  • Palak Patel, Mohit Sharma And Sarika Maitra Bhattacharyya, Dynamic heterogeneity in polydisperse systems: A comparative study of the role of local structural order parameter and particle size, Journal of chemical physics., 159, 044501 (2023), DOI:10.1063/5.0156794,arXiv:2305.02043.
  • Narugopal Manna, Mayank Singh And Sreekumar Kurungot, Microporous 3D-Structured Hierarchically Entangled Geographer-Supported Pt3Co Alloy Catalyst for PEMFC Application with Process-Friendly Features, ACS Applied Materials & Interfaces., 15 (23), 28023 - 28035 (2023), DOI:10.1021/acsami.3c03372.
  • Sidharth Barik, Geeta Pandurang Kharabe, Rajith Illathvalappil, Chandrodai Pratap Singh, Fayis Kanheerampockil, Priyanka S. Walko, Suresh K. Bhat, R. Nandini Devi, C. P Vinod, Sailaja Krishnamurty And Sreekumar Kurungot, Active Site Engineering and Theoretical Aspects of “Superhydrophilic” Nanostructure Array Enabling Efficient Overall Water Electrolysis, SMALL., 19 (50), 2304143 (2023), DOI:10.1002/smll.202304143.
    The rational design of noble metal-free electrocatalysts holds great promise for cost-effective green hydrogen generation through water electrolysis. In this context, here, we demonstrate the development of a superhydrophilic bifunctional electrocatalyst, that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions. This has been achieved through the in-situ growth of hierarchical NiMoO4 @CoMoO4.xH2O nanostructure on nickel foam (NF) via. a two-step hydrothermal synthesis method. NiMoO4@CoMoO4.xH2O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm-2 .
  • Sachin Kumar, Athira Yoyakki, Ajmal Pandikassala, Roby Soni And Sreekumar Kurungot, Pt-Anchored-Zirconium Phosphate Nanoplates as High-Durable Carbon-Free Oxygen Reduction Reaction Electrocatalyst for PEM Fuel Cell Applications, Advanced Sustainable Systems., 7 (2), 2200330 (2023), DOI:10.1002/adsu.202200330.
  • Abdul Khayum Mohammed, Pilar Pena Sánchez, Ajmal Pandikassala, Safa Gaber, Ayesha A. AlKhoori, Tina Skorjanc, Kyriaki Polychronopoulou, Sreekumar Kurungot, Felipe Gándara And Dinesh Shetty , Salicylaldehydate Coordinated Two-Dimensional-Conjugated Metal-Organic Frameworks, Chem. Commun., 59, 2608 - 2611 (2023), DOI:10.1039/D2CC06283F.
  • Vidyanand Vijayakumar, Meena Ghosh, Kiran Asokan, Santhosh Babu Sukumaran, Sreekumar Kurungot, Jonas Mindemark, Daniel Brandell, Martin Winter And Jijeesh Ravi Nair, 2D Layered Nanomaterials as Fillers in Polymer Composite Electrolytes for Lithium Batteries, Advanced Energy Materials., 13 (15), 2203326 (2023), DOI:10.1002/aenm.202203326.
  • T. M. Bhagyasree, P. P. Priyanka, Viksit Kumar, Kiran Asokan, Sreekumar Kurungot And Santhosh Babu Sukumaran , Donor-Acceptor Based Two-Dimensional Polymer as Supercapacitor Electrode with Long Cycling Stability, New Journal of Chemistry., 47, 18049 - 18054 (2023), DOI:10.1039/D3NJ02510A.
  • Swati Dilwale, Athira Babu, Priyanka Pandinhare Puthiyaveetil, Maria Kurian, Meena Ghosh And Sreekumar Kurungot , A Binder-Free and Flexible VOPO4/CNT Film as Cathode for Aqueous Rechargeable Zn-Metal Battery, Advanced Sustainable Systems., 7 (9), 2300141 (2023), DOI:10.1002/adsu.202300141.
  • Sushil Kumar, Jiahui Hu, Ajmal Pandikassala, Sreekumar Kurungot, Matthew A. Addicoat And Gyorgy Szekely, Unlocking the potential of proton conductivity in guanidinium-based ionic covalent organic nanosheets (iCONs) through pore interior functionalization, Applied Materials Today., 33, 101866 (2023), DOI:10.1016/j.apmt.2023.101866.
  • Maria Kurian, Vidyanand Vijaykumar, Narugopal Manna, Fayis Kanheerampockil, Suresh K. Bhat And Sreekumar Kurungot , Electrode|Electrolyte Interface Enhancement in Quasi-Solid-State Zinc-Air Batteries through Anion Conducting Polymer Electrolyte Interlayer by in-situ Polymerization, Journal of Materials Chemistry A., 11, 14776 - 14787 (2023), DOI:10.1039/D3TA02320F.
  • Abdul Khayum Mohammed, Jesus Raya, Ajmal Pandikassala, Matthew A. Addicoat, Safa Gaber, Mohamed Aslam, Liaqat Ali, Sreekumar Kurungot And Dinesh Shetty, Chemically Gradient Hydrogen-Bonded Organic Framework Crystal Film, Angewandte Chemie., 62 (29), e202304313 (2023), DOI:10.1002/anie.202304313.
  • Geeta Pandurang Kharabe, Rajith Illathvalappil, Sidharth Barik, Fayis Kanheerampockil, Priyanka S. Walko, Suresh K. Bhat, R. Nandini Devi And Sreekumar Kurungot, Cobalt-Manganese Modified Theophrastite Phase of Nickel Hydroxide Nanoflower Arrays on Nickel Foam as self-standing Bi-functional Electrode for Overall Water Electrolysis, Sustainable Energy & Fuels., 7, 2428 - 2440 (2023), DOI:10.1039/D3SE00233K.
  • Kaustav Bhattacharjee, Salil S. Vaidya, Tushar Pathak And Jayesh R. Shimpi and Bhagavatula L. V. Prasad, Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?, RSC Journal Of Soft Mater., , (2023), DOI:https://doi.org/10.1039/D3SM00290J.
  • Jayesh R. Shimpi, Rinto Thomas, Santosh Kumar Meena* And and Bhagavatula L. V. Prasad*, Influence of van der Waals Interactions between the Alkyl Chains of Surface Ligands on the Size and Size Distribution of Nanocrystals Prepared by the Digestive Ripening Process, ACS Langmuir., , (2023), DOI:https://pubs.acs.org/doi/full/10.1021/acs.langmuir.3c02316.
  • Abhinav Bajpai, Shweta Mehta, Kavita Joshi And Sushant Kumar, Hydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction, International Journal of Hydrogen Energy., 48, 24328 - 24341 (2023), DOI:https://doi.org/10.1016/j.ijhydene.2023.03.281.
    Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 ?molg?1h?1 and 11.25 ?molg?1h?1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere.
  • Rohit Modee, Ashwini Verma, Kavita Joshi And U Deva Priyakumar, MeGen - generation of gallium metal clusters using reinforcement learning, Machine Learning: Science and Technology., 4, 025032-1 - 025032-9 (2023), DOI:10.1088/2632-2153/acdc03.
    The generation of low-energy 3D structures of metal clusters depends on the efficiency of the search algorithm and the accuracy of inter-atomic interaction description. In this work, we formulate the search algorithm as a reinforcement learning (RL) problem. Concisely, we propose a novel actor-critic architecture that generates low-lying isomers of metal clusters at a fraction of computational cost than conventional methods. Our RL-based search algorithm uses a previously developed DART model as a reward function to describe the inter-atomic interactions to validate predicted structures. Using the DART model as a reward function incentivizes the RL model to generate low-energy structures and helps generate valid structures. We demonstrate the advantages of our approach over conventional methods for scanning local minima on potential energy surface. Our approach not only generates isomer of gallium clusters at a minimal computational cost but also predicts isomer families that were not discovered through previous density-functional theory (DFT)-based approaches.
  • Shweta Mehta And Kavita Joshi, Electronic fingerprints for diverse interactions of methanol with various Zn-based systems, Surface Science., 736, 122350 (2023), DOI:https://doi.org/10.1016/j.susc.2023.122350.
    We have investigated various Zn-based catalysts for their interaction with methanol (MeOH). MeOH is one of the most critical molecules being studied extensively, and Zn-based catalysts are widely used in many industrially relevant reactions involving MeOH. We note that the same element (Zn and O, in the present study) exhibits different catalytic activity in different environments. The changing environment is captured in the underlying electronic structure of the catalysts. In the present work, we compared the electronic structure of Zn-based systems, i.e., ZnAl2O4 and ZnO along with oxygen preadsorbed Zn (O-Zn) and metallic Zn. We demonstrate the one-to-one correlation between the pDOS of the bare facet and the outcome of that facet’s interaction (i.e. either adsorption or dissociation of MeOH) with MeOH. These findings would pave the way towards the in-silico design of catalysts.
  • Aviti Katare, Rajashree Borgohain, Babul Prasad And Bishnupada Mandal, A Strategical Improvement in the Performance of CO2/N2 Gas Permeation via Conjugation of L-Tyrosine onto Chitosan Membrane, Membranes., 13(5), 487 (2023), DOI:https://doi.org/10.3390/membranes13050487.
  • Shraavya Rao, Babul Prasad, Yang Han And WS Winston Ho, Polymeric Membranes for H2S and CO2 Removal from Natural Gas for Hydrogen Production: A Review, Energies., 16(15), 5713 (2023), DOI:https://doi.org/10.3390/en16155713.
  • Manish Kumar Mishra, * Pinki Mahur, Praveena Manimunda And Kamini Mishra, Recent Advances in Nanomechanical Measurements and Their Application for Pharmaceutical Crystals (Invited Review Article), Mol. Pharm., 20, 4848 - 4867 (2023).
  • Ethan A. Hiti, Manish Kumar Mishra, Volodymyr Smetana, Anja-Verena Mudring And Robin D. Rogers, Isolation of anhydrous tetrabutylphosphonium lanthanide hexa- and penta-nitrates from ionic liquids, Polyhedron., 232, 116277 (2023).
  • Ashutosh Rana, Anup Thakare, Nikhil Kumar, Buddhadev Mukherjee, Arun Torris, Bidisa Das, Satishchandra Ogale And Abhik Banerjee, Mitigating Dendrite Formation on a Zn Electrode in Aqueous Zinc Chloride by the Competitive Surface Chemistry of an Imidazole Additive, ACS Applied Materials & Interfaces., 15 (19), 23093 - 23103 (2023), DOI:10.1021/acsami.3c01310.
  • Premkumar Kothavade, Prashant Yadav, Aakash Nidhankar, Arun Torris, Harshawardhan Pol, Abdullah Kafi, Stuart Bateman, Santosh Sukumaran And Kadhiravan Shanmuganathan, Luminescent 3D Printed Poly(lactic acid) Nanocomposites with Enhanced Mechanical Properties, Polymer Engineering & Science., 63 (7), 2059 - 2072 (2023), DOI:10.1002/pen.26345.
  • Aswini Narayanan, T M Bhagyasree, Arun Torris And Santhosh Sukumaran, A Functionalized CNT-azobenzene-PVA-based Self-Healing Aqueous Gel as a Conductive Photo-responsive Actuator, Journal of Materials Chemistry C., 11, 16571 - 16577 (2023), DOI:10.1039/D3TC02942E.
  • Apurva Patrike, Indrapal Karbhal, Kundan Wasnik, Arun Torris, Ashakiran Maibam, Sailaja Krishnamurty And Manjusha Shelke, High Rate, High Temperature, Dendrite Free Plating/Stripping of Li in 3-Dimensional Honeycomb Boron Carbon Nitride to Realize an Ultrastable Lithium Metal Anode, Journal of Energy Storage., 68 (15), 107547 (2023), DOI:10.1016/j.est.2023.107547.
  • Yogeshwar Aher, Arun Torris, Benu Adhikari, Ravi Shukla And Kadhiravan Shanmuganathan, Double Encapsulation of Liquid Active Ingredients using Nanoclay Reinforced Polyurea Microcapsules, Colloids and Surfaces A: Physicochemical and Engineering Aspects., 679, 132547 (2023), DOI:10.1016/j.colsurfa.2023.132547.
  • Pragalbh Shekhar, Devulapalli Datta, Swaroopa Venkata, Reshma Reji, Himan Singh, Aleena Jose, Arun Torris, Chathakudath Vinod, John Tokarz, John Mahle, Gregory Peterson, Eric Borguet And Ramanathan Vaidhyanathan, COF-supported Zirconium Oxyhydroxide as a Versatile Heterogeneous Catalyst for Knoevenagel Condensation and Nerve Agent Simulant Hydrolysis, iScience., 26 (11), 108088 (2023), DOI:10.1016/j.isci.2023.108088.
  • Darole, R. S.; Bagad, P. K.; Gonnade, R. G.; Alagarasu, K.; Punekar, M.; Shukla, S.; Parashar, D.; Senthilkumar And B, Synthesis of novel rhodamine type Anthrone Spiro-lactam (ASL) analogues and evaluation of antiviral activity against dengue and chikungunya viruses, Eur. J. Med. Chem., 261, 115849 (2023), DOI:https://doi.org/10.1016/ j.ejmech.2023.115849.
  • Deshmukh S, Maibam A, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Visible Light Active Unsymmetrical Squaraine Dyes with Pyridyl Anchoring Group for Dye-Sensitized Solar Cells, Langmuir., 40, 251 - 263 (2023), DOI:10.1021/acs.langmuir.3c02474.
  • Manoj Krishnat Patil, † Supriya Hanmant Gaikwad, † Arun Arunima Balachandran Kirali, Banu Marimuthu* And and Shatabdi Porel Mukherjee* (†Authors contributed equally), Ligand-Free One-Pot Synthesis of Ru/W18O49 Self-Assembled Hierarchical Coral-Like Nanostructures for Selective Conversion of Glucose into Glycols, ACS Applied Nano Materials., 6, 22635 - 22642 (2023), DOI:https://doi.org/10.1021/acsanm.3c04200.
    IF: 6.14; In this study, we report a simple inorganic route for the synthesis of Ru/W18O49 self-assembled coral-like nanostructures, with the following advantages: It is one step and requires no surfactant or stabilizing agent; Ru loading is easily tuned, and the as-synthesized nanomaterials can be used as a catalyst without any further processing. The preliminary investigations of the catalytic performance of these as-synthesized Ru/W18O49 nanomaterials appear quite promising for converting glucose to glycols. The total glycol selectivity of 82.6% with 100% conversion of glucose was obtained over 0.03 wt % Ru loading on tungsten nanostructures, which turns out to be the lowest Ru loading% on support reported to date to achieve the highest total glycol selectivity among the previously reported catalyst based on Ru-nano/composite materials. Additionally, preliminary results show that the concentration of Ru on W18O49 significantly affects the selectivity of the glycol production. Thus, our methodology will open up a wide range of opportunities regarding the choice of metals, stoichiometric/nonstoichiometric WOx (x=1–3) as support, and the viability of further catalytic manipulations. A probable catalytic mechanism for this catalytic process is also proposed.
  • G Porwal, H KV, S Sreedhala, TS Khan, MA Haider* And CP Vinod*, Deciphering Particle Morphology Effects in Cinnamaldehyde Hydrogenation over Palladium Nanostructures, ACS Engineering Au., 3, 6, 477 - 487 (2023), DOI:10.1021/acsengineeringau.3c00017.
  • S Gupta, P Jain, D Jagadeesan And CP Vinod*, Morphology-Dependent Catalysis by Co3O4 Nanostructures in Atmospheric Pressure Carbon Dioxide Hydrogenation, The Journal of Physical Chemistry C., 127 (27), 13055 - 13064 (2023), DOI:10.1021/acs.jpcc.3c02857.
  • KJ Betsy, P Bajpai, A Lazar, K Vanka And CP Vinod*, Pd Nanoparticles Supported on N-Incorporated Hybrid Organosilica as an Active and Selective Low-Temperature Phenol Hydrogenation Catalyst, ACS Applied Nano Materials., 6, 13, 11500 - 11512 (2023), DOI:10.1021/acsanm.3c01540.
  • Chitvan Jain, Rinku Kushwaha, Deepak Rase, Pragalbh Shekhar, Ankita Shelke, Disha Sonwani, Thalasseril G Ajithkumar, Chathakudath Prabhakaran Vinod And Ramanathan Vaidhyanathan*, Tailoring COFs: Transforming Nonconducting 2D Layered COF into a Conducting Quasi-3D Architecture via Interlayer Knitting with Polypyrrole, Journal of the American Chemical Society., , (2023), DOI:10.1021/jacs.3c09937.
  • Soumi Mondal, Mohd Riyaz, Debabrata Bagchi, Nilutpal Dutta, Ashutosh Kumar Singh, Chathakudath P Vinod And Sebastian C Peter*, Distortion-Induced Interfacial Charge Transfer at Single Cobalt Atom Secured on Ordered Intermetallic Surface Enhances Pure Oxygen Production, ACS Nano., 7, 22, 23169 - 23180 (2023), DOI:10.1021/acsnano.3c09680.
  • Rinku Kushwaha, Chitvan Jain, Pragalbh Shekhar, Deepak Rase, Rajith Illathvalappil, Deep Mekan, Augastus Camellus, Chathakudath Prabhakaran Vinod And Ramanathan Vaidhyanathan*, Made to Measure Squaramide COF Cathode for Zinc Dual?Ion Battery with Enriched Storage via Redox Electrolyte, Advanced Energy Materials., 13 (34), 2301049 (2023), DOI:10.1002/aenm.202301049.
  • Sidharth Barik, Geeta Pandurang Kharabe, Rajith Illathvalappil, Chandrodai Pratap Singh, Fayis Kanheerampockil, Priyanka S Walko, Suresh K Bhat, R Nandini Devi, CP Vinod*, Sailaja Krishnamurty* And Sreekumar Kurungot*, Active Site Engineering and Theoretical Aspects of “Superhydrophilic” Nanostructure Array Enabling Efficient Overall Water Electrolysis, Small., , (2023), DOI:10.1002/smll.202304143.
  • AK Singh, D Mumbaraddi, V Mishra, S Roy, CP Vinod And SC Peter* , Metal Deficiency Tailored by the 18-Electron Rule Stabilizes Metal-Based Inorganic Compounds, Chemistry of Materials., 35 (15), 6050 - 6058 (2023), DOI:10.1021/acs.chemmater.3c01142.
  • R Vishwakarma, CP Vinod, V Rathod And ML Kantam*, Copper Fluorapatite-Catalyzed Aza-Michael Reaction and Kinetic Studies, Industrial & Engineering Chemistry Research., 62 (34), 13401 - 13411 (2023), DOI:10.1021/acs.iecr.3c01383.
  • Sanchayita Mukhopadhyay, Alagar Raja Kottaichamy, Pallavi Vyankuram Chame, Prasenjit Ghosh, Chathakudath Prabhakaran Vinod, Harish Makri Nimbegondi Kotresh, Sandeep C Kanade And Musthafa Ottakam Thotiyl*, Unusual Ligand Assistance in Molecular Electrocatalysis via Interfacial Proton Charge Assembly, The Journal of Physical Chemistry Letters., 14, 5377 - 5385 (2023), DOI:10.1021/acs.jpclett.3c01262.
  • Rakhi Vishwakarma, Chathakudath P Vinod, Virendra Rathod And Mannepalli Lakshmi Kantam*, Wadsworth–Emmons Reaction by Using the Fluorapatite Catalyst: Kinetic Studies, Industrial & Engineering Chemistry Research., 62, 20, 7901 - 7911 (2023), DOI:10.1021/acs.iecr.3c00407.
  • Rakhi Vishwakarma, CP Vinod, Virendra K Rathod And Mannepalli Lakshmi Kantam*, Imine Oxidation Catalyzed by Zinc Hydroxyapatite: Kinetic Studies, ChemistrySelect., , (2023), DOI:10.1002/slct.202203503.
  • Raj Sekhar Roy, Sanjit Mondal, Samita Mishra, Maqsuma Banoo, Lipipuspa Sahoo, Amit Kumar, CP Vinod, Arijit K De And Ujjal K Gautam*, Covalently interconnected layers in g-C3N4: Toward high mechanical stability, catalytic efficiency and sustainability, Applied Catalysis B: Environmental., 322, 122069 (2023), DOI:10.1016/j.apcatb.2022.122069.
  • Subhajit Chakraborty, Risov Das, Mohd Riyaz, Kousik Das, Ashutosh Kumar Singh, Debabrata Bagchi, Chathakudath P Vinod And Sebastian C Peter*, Wurtzite CuGaS2 with an In?Situ?Formed CuO Layer Photocatalyzes CO2 Conversion to Ethylene with High Selectivity, Angewandte Chemie., 135 (9), (2023), DOI:10.1002/ange.202216613.
  • Kousik Das, Risov Das, Mohd Riyaz, Arko Parui, Debabrata Bagchi, Ashutosh Kumar Singh, Abhishek Kumar Singh, Chathakudath P Vinod And Sebastian C Peter*, Intrinsic Charge Polarization in Bi19S27Cl3 Nanorods Promotes Selective C?C Coupling Reaction during Photoreduction of CO2 to Ethanol, Advanced Materials., 35 (5), 2205994 (2023), DOI:10.1002/adma.202205994.
  • S Mondal, L Sahoo, M Banoo, Y Vaishnav, CP Vinod And UK Gautam*, Enhancing the catalytic activity of Pd nanocrystals towards Suzuki Cross?Coupling by g?C3N4 photosensitization, ChemNanoMat., , (2023), DOI:10.1002/cnma.202300451.
  • PA Kamble, CP Vinod, VK Rathod And ML Kantam*, Hydrogenation of levulinic acid to gamma-valerolactone over nickel supported organoclay catalyst, Catalysis Today., 408, 36 - 49 (2023), DOI:10.1016/j.cattod.2022.10.004.
  • Alagar Raja Kottaichamy, Siraprapha Deebansok, Jie Deng, Mohammed Azeezulla Nazrulla, Yachao Zhu, Zahid Manzoor Bhat, Mruthyunjayachari Chattanahalli Devendrachari, Chathakudath Prabhakaran Vinod, Harish Makri Nimbegondi Kotresh, Olivier Fontaine And Musthafa Ottakam Thotiyl*, Unprecedented energy storage in metal–organic complexes via constitutional isomerism, Chemical Science., 14 (23), 6383 - 6392 (2023), DOI:10.1039/D3SC01692G.
  • K Rajendran, Mandeep Sharma, Augustine Jaison, Menon Ankitha, Ankit D Tiwari, CP Vinod And Dinesh Jagadeesan*, Oxidation of ethylene by Cu/TiO 2: reducibility of Cu 2+ in TiO 2 as a possible descriptor of catalytic efficiency, Catalysis Science & Technology., 13(8), 2330 - 2339 (2023), DOI:10.1039/D2CY02170F.
  • S Sarkar, J Raj, D Bagchi, A Cherevotan, CP Vinod And SC Peter*, Structural ordering enhances highly selective production of acetic acid from CO 2 at ultra-low potential, EES Catalysis., 1 (2), 162 - 170 (2023), DOI:10.1039/D2EY00081D.
  • C. Pradhan, R. A. Jagtap, P. P. Samal, S. Krishnamurty And B. Punji, Iron-Catalyzed Regioselective C-H Alkylation of Indoles: An Additive-free Approach in Renewable Solvent, Green Chem., 25, 9733 - 9743 (2023), DOI:10.1039/D3GC03709F.
  • D. M. Sharma, A. B. Shabade, R. G. Gonnade And B. Punji, Manganese(I)-Catalyzed Chemoselective Transfer Hydrogenation of the C=C Bond in Conjugated Ketones at Room Temperature, Chem. Eur. J., 29, e202301174 (2023), DOI:10.1002/chem.202301174.
  • A. Klyushin, M. Ghosalya, E. Kokkonen, C. Eads, R. Jones, N. Nalajala And C. S. Gopinath and S. Urpelainen, Photocatalytic setup for in situ and operando ambient-pressure X-ray photoelectron spectroscopy at MAX IV Laboratory, Journal of Synchrotron Radiation., , (2023), DOI:https://doi.org/10.1107/S1600577523002801.
  • Nitin B. Mhamane ORCID logoab, Suresh Panchal c, Sadhu K. Kolekar a, Ravi Ranjan ab, Kranti N. Salgaonkar ORCID logoab, Anand S. Burange ad, Naresh Nalajala ORCID logoa And Suwarna Datar c and Chinnakonda S. Gopinath, Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd–TiO2, Physical Chemistry Chemical Physics., , (2023), DOI:10.1039/D3CP01122D.
  • Ravi Ranjan, Jyoti Tekawadia, Ruchi Jain, Nitin B. Mhamane, Thirumalaiswamy Raja And Chinnakonda S. Gopinath, Co3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production, Chemical Engineering Journal., 471, 144459 (2023), DOI:https://doi.org/10.1016/j.cej.2023.144459.
  • R. Ghosh, S. Ghosh And A. Das, Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors, BBA - Proteins and Proteomics., 1871, 140866 (2023), DOI:https://doi.org/10.1016/j.bbapap.2022.140866.
  • V. Tammara And A. Das, The Molecular Mechanism of PSM-Alpha3 Aggregation: A New View, The Journal of Physical Chemistry B., 127, 8317 - 8330 (2023), DOI:https://doi.org/10.1021/acs.jpcb.3c03806.
  • K. Song, R. Park, A. Das, D. E. Makarov And E. Vouga, Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories, The Journal of Chemical Physics., 159, 064104 (2023), DOI:https://doi.org/10.1063/5.0158930.
  • M. Pillai, A. Das And S. K. Jha, Electrostatic Modulation of Intramolecular and Intermolecular Interactions during the Formation of an Amyloid-like Assembly, Biochemistry., 62, 1890 - 1905 (2023), DOI:https://doi.org/10.1021/acs.biochem.3c00014.
  • S. Kore, S. H. Deshmukh, S. S. Sakpal, S. Chatterjee, A. Das And S. Bagchi, Elucidation of pH-Induced Protein Structural Changes: A Combined 2D IR and Computational Approach, Biochemistry., 62, 451 - 461 (2023), DOI:https://doi.org/10.1021/acs.biochem.2c00626.
  • B P Shivamurthy, S P. Kirdant, S Katakam, P Rawat, V H. Jadhav* And G P Nayaka*, Performance scrutiny of spent lithium-ion batteries cathode material as a catalyst for oxidation of benzyl alcohol, Next Sustainability., , (2023), DOI:https://doi.org/10.1016/j.nxsust.2023.100017.
  • Shatabdi Porel Mukherjee, Pattayil Alias Joy And Vijayakrishnan Jeyavani, POLYMERIC FLAMMABLE COMPOSITIONS, Patent office IN, Application number 201911029469, Complete filling date 07-22-2020, Patent Granted number : 420323, Granted date: 02-02-2023., , (2023).
    The present invention discloses a flammable compositions and a process for preparation thereof. The flammable compositions is used as firecrackers that sparkle and provide colour display, yet are less polluting.
  • SHATABDI POREL MUKHERJEE;JEYAVANI VIJAYAKRISHNAN, NANOSTRUCTURE MATERIAL FOR ADSORPTION OF ORGANIC DYES AND THE PROCESS FOR PREPARATION THEREOF, Patent office IN, Patent number #(Complete application filed), Application number 202311006894 dated 02-02-2023., , (2023).
  • SHATABDI POREL MUKHERJEE;SUPRIYA HANMANT GAIKWAD, NANOCOMPOSITES FOR SELECTIVE ADSORPTION/DETECTION OF CATIONIC DYES AND METHODS OF SYNTHESIS THEREOF, Patent office IN, Patent number #(complete application filed), Application number 202311028954 dated 04-20-2023., , (2023).
  • SUKUMARAN SANTHOSH BABU;SHATABDI POREL MUKHERJEE;KIRAN ASOKAN ; MANOJ KRISHNAT PATIL;NANDAKUMAR THENMANI ;LALIT KUMAR MAURYA, A PROCESS FOR SYNTHESIS OF POROUS CRYSTALLINE COVALENT ORGANIC FRAMEWORK FOR CH4 STORAGE, Patent office IN, Patent number #(Complete application filed), Application number 202211060663 dated 10-18-2023., , (2023).
  • SHATABDI POREL MUKHERJEE;RADHAMONYAMMMA NANDINI DEVI;JEYAVANI VIJAYAKRISHNAN; DEEPALI SURESH KONDHEKAR, PALLADIUM TUNGSTEN OXIDE NANOCATALYST FOR CO OXIDATION AND ITS METHOD OF PREPARATION THEREOF, Patent office IN, Patent number #(Provisional application filed), Application number 202311017234 dated 03-14-2023., , (2023).
  • G P Nayaka And B P Shivamurthy , Cobalt Free LiMn2-x-y-zNiXFeYAlZO4 Spinel as Cathode Material for Li-ion Batteries, International Patent Publication No:. WO2023095155A1., , (2023).
  • G Santhosh And GP Nayaka, Ceramic Films for High-Performance Supercapacitors, John Wiley & Sons., , 53 - 72 (2023), DOI:https://doi.org/10.1002/9781394167166.ch3 (Book Chapter).
  • G. Santhosh And G. P. Nayaka, Polymer-Based Hybrid Composites for Tissue Engineering Applications, Taylor & Francis., , 281 - 306 (2023), DOI:https://doi.org/10.1201/9781003408512 (Book Chapter).
  • Rajkumar S. Birajdar, Dnyaneshwar V. Bodkhe, Poonam Gupta, Maulali H. Shaikh, Rohan Ramekar And Samir H. Chikkali*, Emerging Trends in Olefin Polymerization: A Perspective, J. Macromol. Sci. Part A: Pure & Appl. Chem., 60(11), 731 - 750 (2023), DOI:DOI: 10.1080/10601325.2023.2269971.
    https://doi.org/10.1080/10601325.2023.2269971
  • Rohit Kumar, Anirban Sen And Samir H. Chikkali*, Rh-Catalyzed Asymmetric Hydroformylation of Olefins using Phosphorus Ligand, J. Chem. Sci., 135, 108 (2023), DOI:10.1007/s12039-023- 02227-5.
    https://doi.org/10.1007/s12039-023- 02227-5
  • Nawghare I S, Singh A K, Maibam A, Krishnamurty S, Krishnamoorthy K And Nithyanandhan J, Steric and Electronic Effect in Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells, J. Phys. Chem. C., 127, 22473 - 22488 (2023), DOI:10.1021/acs.jpcc.3c05222.
  • Kranti N Salgaonkar, Himanshu Bajpai, Nitin B Mhamane, Naresh Nalajala, Inderjeet Chauhan, Kavita Thakkar, Kavita Joshi And Chinnakonda S Gopinath, A baby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency, Journal of Materials Chemistry A., 11, 15168 - 15182 (2023), DOI:10.1039/D3TA01850D.
    How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm2 device (contains ?25 ?g of BiVO4 (?2.5 wt%) in the nanopores of ?975 ?g of TiO2 (?97.5 wt%)) and facilitate artificial photosynthesis. We demonstrate 31–38% STFE with a photon to chemical conversion turn over frequency (ToFP2C) of 2.73 s?1 with a 1 cm2 wireless BiVO4–TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. 13CO2 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm2. Assuming no change (50% decrease) in the STFE, a 6.74 m2 device is expected to convert 1 (0.5) kg h?1 CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.
  • Pooja Deshpande and Bhagavatula L. V. Prasad*, Alloying with Mn Enhances the Activity and Durability of the CoPt Catalyst toward the Methanol Oxidation Reaction, ACS appliad materials and interfaces., , (2023), DOI:https://doi.org/10.1021/acsami.3c01140.
  • Jayesh R. Shimpi, Rinto Thomas, Santosh Kumar Meena And * and Bhagavatula L. V. Prasad*, Influence of van der Waals Interactions between the Alkyl Chains of Surface Ligands on the Size and Size Distribution of Nanocrystals Prepared by the Digestive Ripening Process, ACS Langmuir., , (2023), DOI:https://doi.org/10.1021/acs.langmuir.3c02316.
  • Chaurasiya AH, Khilari AA, Kazi R, Jaiswal MR, Bhoite GM, Padwal MK, Momin AA, Shanmugam D And Kulkarni MJ, Nanopore Sequencing of RAGE Gene Polymorphisms and Their Association with Type 2 Diabetes, ACS Omega., , (2023).
  • Shankar SS, Banarjee R, Jathar SM, Rajesh S, Ramasamy S And Kulkarni MJ, De novo structure prediction of meteorin and meteorin-like protein for identification of domains, functional receptor binding regions, and their high-risk missense variants, Journal of Biomolecular Structure and Dynamics., , 1 - 15 (2023).
  • Chaurasiya AH, Jaiswal MR, Bayatigeri S, Kahar S, Tiwari S, Unnikrishnan AG And Kulkarni MJ, Elevated Level of Glycated KQTALVELVK Peptide of Albumin Is Associated with the Risk of Diabetic Nephropathy, ACS Omega., , (2023).
  • Bansode S, Singh PK, Tellis M, Chugh A, Deshmukh N, Gupta M, Verma S, Giri A, Kulkarni M, Joshi R And Chaudhary D, A Comprehensive Molecular and Clinical Investigation of Approved Anti-HCV Drugs Repurposing against SARS-CoV-2 Infection: A Glaring Gap between Benchside and Bedside Medicine, Vaccines., , (2023).
  • Garg A, Alam M, Bai S, Dandawate M, Kumari N, Gupta S, Agrawal U, Nagarajan P, Reddy DS, Kulkarni MJ And Mukhopadhyay A, Protective Effects of Rifampicin and Its Analog Rifampicin Quinone in a Mouse Model of Obesity-Induced Type 2 Diabetes, ACS Pharmacology & Translational Science., , 253 - 269 (2023).
  • Pandya VK, Shankar SS, Sonwane BP, Rajesh S, Rathore R, Kumaran S And Kulkarni MJ, Mechanistic insights on anserine hydrolyzing activities of human carnosinases, Biochimica et Biophysica Acta (BBA)-General Subjects., , (2023).
  • Gargi Kundu, P. R. Amrutha, K. Vipin Raj, Srinu Tothadi, Kumar Vanka And Sakya S. Sen*, Taming the parent oxoborane, Chem. Sci., 14, 5894 - 5898 (2023).
    "Chem Sci Pick of the Week", "2023 Chemical Science HOT Article Collection"
  • V. S. Ajithkumar, Pratiksha B. Ghanwat, K. Vipin Raj, Kumar Vanka, Rajesh G. Gonnade* And Sakya S. Sen*, Synthesis of Si(IV)- and Ge(II)-Substituted Amines, Hydrazone, and Hydrazine from Hypersilyl Germylene, Organometallics., 42, 2983 - 2990 (2023).
  • Kritika Gour, Debjit Pramanik, Soumya Ranjan Dash, Srinu Tothadi, Kumar Vanka And Sakya S. Sen*, Activation of Olefinic C-H Bond of NHC and NHO by Perimidine Based Silicon and Germanium Compounds, Organometallics., 42, 1909 - 1917 (2023).