Recent progress in nanocomposite-oriented triboelectric and piezoelectric energy generators: An overview

A Kumar, S Kumar, AK Pathak, AA Ansari… - Nano-Structures & Nano …, 2023 - Elsevier
The demand for alternative energy is increasing globally, leading to the increased
importance of energy harvesting technologies. Research is being conducted on the …

Molecular aggregation kinetics of Heteropolyene: An Experimental, topological and solvation dynamics studies

SK Panja, S Kumar, AD Fazal, S Bera - Journal of Photochemistry and …, 2023 - Elsevier
Herein, we have demonstrated the solvent specific ground state and excited state
aggregates of the molecule ((1E, 2E)-1, 2-bis ((E)-3-phenylallylidene) hydrazine: BISCH) in …

A Novel Rhodamine Probe Acting as Chemosensor for Selective Recognition of Cu2+ and Hg2+ Ions: An Experimental and First Principle Studies

PK Sada, A Bar, AK Jassal, P Kumar, S Srikrishna… - Journal of …, 2024 - Springer
Copper and Mercury ions have vital role to play in biological world as their excess or
deficiency can cause different type of diseases in human being as well as biological species …

Dispersion-corrected DFT calculations and dynamic molecular simulations to investigate conformational stability of Lidocaine towards β-CD and HP-β-CD

A Kadri, OA Yahia, B Bezzina, DE Khatmi… - Journal of Molecular …, 2025 - Elsevier
Lidocaine (LDC) is one of the most important local anaesthesia compounds (LAs),
designated to treat acute and chronic pain, especially in clinical applications. In the purpose …

[HTML][HTML] Role of Multiple Intermolecular H-Bonding Interactions in Molecular Cluster of Hydroxyl-Functionalized Imidazolium Ionic Liquid: An Experimental, Topological …

SK Panja, S Kumar, B Haddad, AR Patel, D Villemin… - Physchem, 2024 - mdpi.com
Multiple intermolecular H-bonding interactions play a pivotal role in determining the
macroscopic state of ionic liquids (ILs). Hence, the relationship between the microscopic and …

Intermolecular charge-transfer complex between solute and ionic liquid: experimental and theoretical studies

S Kumar, SK Panja - Theoretical Chemistry Accounts, 2023 - Springer
Ground-state intermolecular donor–acceptor complex ([MCP][NTf2]-MN; 1: 1) is formed
between π-electron of 1-methyl-naphthalene (MN) as solute (electron-rich) and π+ electron …

Rosmarinic Acid as a Potential Multi-targeted Inhibitor for SAR-CoV-2: An In silico Virtual Screening Approach

S Kumar, V Kumar - Coronaviruses, 2024 - benthamdirect.com
Background: Rosmarinic acid, a natural compound found in various plants like rosemary
and lemon balm, may have potential as a multi-targeted inhibitor for SARS-CoV-2, a strain of …

Metal–MXenes interaction: adsorption, bonding, and role of delocalized chemical bonding

M Shukla, S Kumar, V Kumar - MXenes as Surface-Active Advanced …, 2024 - Elsevier
MXenes are constantly emerging as structural as well as composition diversities. Over the
last two decades, advanced studies have been carried out in synthesizing different kinds of …

Study of Oxadiazole derivatives as precursor for multi-functional inhibitor to SARS-CoV-2: A detailed virtual screening analysis

V Kumar, S Kumar - Mongolian Journal of Chemistry, 2024 - mongoliajol.info
Abstract SARS-CoV-2, the virus responsible for the COVID-19 pandemic, is highly
contagious and has caused widespread loss of life. In the quest to find effective antiviral …