- Hydrogen Storage and Materials
- Hybrid Renewable Energy Systems
- Computational Drug Discovery Methods
- Ammonia Synthesis and Nitrogen Reduction
- MXene and MAX Phase Materials
- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Vasculitis and related conditions
- Advancements in Battery Materials
- Fuel Cells and Related Materials
- Carbon Nanotubes in Composites
- Nuclear Materials and Properties
- Catalysis and Hydrodesulfurization Studies
- Advanced Photocatalysis Techniques
- Advanced biosensing and bioanalysis techniques
- Renal Diseases and Glomerulopathies
- Catalytic Processes in Materials Science
- vaccines and immunoinformatics approaches
- Various Chemistry Research Topics
- Electrocatalysts for Energy Conversion
- Amyloidosis: Diagnosis, Treatment, Outcomes
- Metabolomics and Mass Spectrometry Studies
- Analytical Chemistry and Chromatography
- Metal-Organic Frameworks: Synthesis and Applications
Bhabha Atomic Research Centre
2013-2024
Indian Institute of Technology Hyderabad
2024
Homi Bhabha National Institute
2024
Babasaheb Bhimrao Ambedkar University
2017-2023
North East Institute of Science and Technology
2023
All India Institute of Medical Sciences
2023
Central Drug Research Institute
2022
Weatherford College
2022
Indian Institute of Technology Roorkee
2012-2013
Indian Institute of Technology Kanpur
2008
Though ammonia borane (AB) is considered as one of the potential hydrogen storage materials, effective and economical utilization AB hydrolysis for efficient release encounters hindrances primarily due to unavailability an appropriate catalyst. Herein, we present a solvothermal route synthesizing series MOFs demonstrate superior (H2) production via using optimized Cu-MOF-74 catalyst with activation energy 32.1 kJmol–1 turnover frequency (TOF) 26 min–1. The influence ions, AB, concentration...
Bisphenol A (BPA, 2,2-bis-(4-hydroxyphenyl)propane) is used as a precursor in the synthesis of polycarbonate and epoxy plastics; however, its availability environment causing toxicity an endocrine-disrupting chemical. Metabolism BPA their analogues (substitutes) generally performed by liver cytochrome P450 enzymes often leads to mixture products, some those are toxic. To understand product distributions activation BPA, we have computational study into mechanisms reactivities using large...
Hydrogen storage in solid-state mediums has gained significant attention as they can provide high energy density and exhibit improved safety compared to conventional compressed gas or liquefied hydrogen storage. In...
This paper discusses synthesis and characterization of (i) rice husk based nanosilica, (ii) nanosilica carbon composite granules (iii) phosphoric acid activated ash silica. These have been produced by burning in air, charring hydrogen activating silica with H3PO4 respectively. X-ray diffraction studies these products reveal increasing peak width (amorphosity) decreasing temperature. The transforms to crystalline product when burnt above 1000 ºC. variation surface area pore volume temperature...
Molecular Property Diagnostic Suite ( $$\text {MPDS}^{\mathrm{TB}}$$ ) is a web tool http://mpds.osdd.net designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). has nine modules which are classified into data library (1–3), processing (4–5) and analysis (6–9). Module 1 repository of literature related information available on Mtb. 2 deals with protein target chosen disease area. 3 compound consisting 110.31 million unique molecules generated from...
Summary Magnesium is one of the potential candidates for on‐board hydrogen storage, but slow hydrogenation kinetics and unfavourable thermodynamics limits its practical implementation. To improve characteristics, nanocrystalline magnesium was prepared by a simple wet milling method without addition heavy metal catalyst. Compared to micro‐crystalline Mg, developed Mg exhibits improved storage properties showing extended plateau region in pressure‐composition‐temperature curves with higher...
Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS