• Dry-Oxidative reforming of biogas for hydrogen generation over Ca and Mg-promoted Titania-supported Nickel Catalyst 

  Sharma, Himanshu; Yadav, Pradeep Kumar; Sharma, Sudhanshu; Dhir, Amit (MDPI, 2025-09)

  Hydrogen is gaining significant interest from researchers because of its renewable and clean nature. In this study, we explored the effects of promoters and oxygen addition on biogas reforming. The promotion of catalysts ...
• Physics-guided machine learning of excited-state properties for the design of high-performance TADF emitters 

  Sanyam; Das, Bibhas; Mondal, Anirban (Royal Society of Chemistry, 2025-08)

  The rational design of thermally activated delayed fluorescence (TADF) and inverted singlet–triplet (INVEST) emitters demands accurate prediction of critical photophysical properties, particularly singlet–triplet energy ...
• Versatility of surfactant-mediated NiTe2 nanoparticles: unlocking potential for hydrogen evolution reaction, supercapacitor, and sustainable green catalysis 

  Mathur, Neha; Choudhary, Monu; Dwivedi, Abhinav Kashyap; Nama, Jatin; K. P., Shwetha; C, Manjunatha; Sharma, Sudhanshu; Gupta, Pankaj; Joshi, Hemant; Roy, Partha (Wiley, 2025-09)

  Designing multifunctional nanomaterials is economically and practically advantageous. Herein, this work reports a surfactant-mediated synthesis of NiTe2 nanoparticles (NPs) and their applications in electrocatalysis, energy ...
• Indomethacin-Naphthalimide-Based AIEgen for illuminating golgi apparatus 

  Kumar, Phanindra; Mishra, Tripti; Sanyam; Sahu, Asima; Mondal, Anirban; Basu, Sudipta (Wiley, 2025-09)

  Golgi apparatus (GA) is a complex organelle controlling subcellular protein modifications, sorting, and transport. Dysregulation in GA leads to cancer development and metastasis. Consequently, development of small molecule ...
• Co-assembled complexes of charged peptides with pharmaceuticals: structure-function correlation and emergent antibacterial activity 

  Choubey, Rinku (Indian Institute of Technology Gandhinagar, 2025)
• Targeting a kinase and a phosphatase in cancer therapy: insights into tousled-like kinase (TLK1) and protein tyrosine phosphatase (PTP-PEST) 

  George, Johnson Delna J K (Indian Institute of Technology Gandhinagar, 2024)
• Boosting water electrolysis with anodic valorization of organic substrates and correlating it with aerobic oxidation 

  Behera, Snehanjali (Indian Institute of Technology Gandhinagar, 2024)
• Capturing the ring conformational dynamics of hexopyranoses: polarization effects, force field refinements and quantum mechanical investigations 

  Chythra J. N. (Indian Institute of Technology Gandhinagar, 2025)
• Targeting metabolic enzymes (HpIMPDH and PaG6Pi) to develop effective therapy for bacterial infections 

  Haritha D (Indian Institute of Technology Gandhinagar, 2024)
• Design, synthesis and DFT studies of Metalloporphyrins and Thiaporphyrins towards application in photocatalytic organic ransformations 

  Anu (Indian Institute of Technology Gandhinagar, 2024)
• Investigating the copper based unsupported and supported electrocatalysts for electrochemical CO2 reduction: utilizing La0.8Sr0.2CoO3 as a potential support 

  Dhakar, Shikha (Indian Institute of Technology Gandhinagar, 2024)
• Synthesis and application of chiral secondary amine organocatalysts 

  Kumar, Rohtash (Indian Institute of Technology Gandhinagar, 2024)
• Design of 3rd generation Pyrrole based theranostic agents: synthesis and pharmacological studies for anticancer application in PDT 

  Chavda, Jaydeepsinh Pravinsinh (Indian Institute of Technology Gandhinagar, 2024)
• Design and synthesis of π-conjugated donor-acceptor styryl dyes for subcellular and tissue imaging 

  Rajput, Deeksha (Indian Institute of Technology Gandhinagar, 2025)
• Carbazole-linked through-space TADF emitters for OLEDs: tuning photophysics via molecular architecture and exciton dynamics 

  Sanyam; Tejiyan, Nishi; Mondal, Anirban (Royal Society of Chemistry, 2025-08)

  Thermally activated delayed fluorescence (TADF) offers a promising route to highly efficient organic light-emitting diodes (OLEDs), yet conventional D–A–D and A–D–A architectures often suffer from conformational flexibility, ...
• Design and development of new Benzopyrazole derivatives as selective inhibitors of Helicobacter pylori IMPDH 

  Puri, Sachin; Shalini; Juvale, Kapil; Kirubakaran, Sivapriya (Wiley, 2025-08)

  Helicobacter pylori (H. pylori) is a Gram-negative bacterial pathogen responsible for gastritis, peptic ulcers, and gastric cancer. Current treatment regimens involve triple or quadruple antibiotic therapies; however, the ...
• pH-responsive release of small molecule pharmaceuticals from a reworked adsorbent hydrogel for environmental applications 

  Patel, Hitarth; Singh, Rinki; Datta, Bhaskar (Royal Society of Chemistry, 2025)

  Hydrogels that are engineered for environmental and biomedical applications possess an overlapping set of material and surface properties. In this work, we have repurposed a poly(acrylic acid-co-vinyl sulfonic acid) (PAcVSA) ...
• Machine learning-accelerated design of near-infrared TADF emitters beyond conventional scaffolds 

  Nikhitha R.; Mondal, Anirban (ChemRxiv.org, 2025-08)

  Near-infrared thermally activated delayed fluorescence (NIR-TADF) emitters hold great potential for bioimaging, optical communication, and advanced display technologies, but their design remains challenging due to the ...
• Further refinement and validation of the Drude polarizable force field for carboxylate and n-acetyl amine hexopyranose derivatives 

  J. N., Chythra; Yamaguchi, Takumi; Mallajosyula, Sairam S. (American Chemical Society, 2025-09)

  In this study, we present an improved parameter set for the Drude polarizable force field optimized to accurately capture the ring dynamics of four types of carboxylate- and N-acetyl amine-substituted aldohexoses and their ...
• Exclusive production of acetone using a copper nanoparticle anchored LSCO perovskite electrocatalyst: cell design and metal-support interaction governed electrocatalysis 

  Dhakar, Shikha; Kumar, Rishabh; Khatua, Rudranarayan; Mitra, Rahul; Urkude, Rajashri R.; Ghosh, Biplab; Mondal, Anirban; Biswas, Krishanu; Sharma, Sudhanshu (Royal Society of Chemistry, 2025-09)

  This study explores the enhancement of electrochemical CO2 reduction (CO2ER) using a novel Cu nanoparticle decorated La0.8Sr0.2CoO3 (LSCO) perovskite catalyst. The synthesized Cu/LSCO catalyst exhibits exceptional activity ...

View more