In vitro cytotoxicity activity (MTT assay), Experimental spectral investigations, Quantum Computational, Solvents performance, and biological evaluation on N-tert-Butoxycarbonylimidazole DOI
Dona Benny, Johanan Christian Prasana,

M. Thirunavukkarasu

et al.

Journal of the Indian Chemical Society, Journal Year: 2024, Volume and Issue: unknown, P. 101366 - 101366

Published: Sept. 1, 2024

Language: Английский

Shrimp shell waste-modified natural wood and its use as a reservoir of corrosion inhibitor (L-arginine) for brass in 3% NaCl medium: Experimental and theoretical studies DOI
Hamza Oulad Idriss, Nordin Ben Seddik, Mohamed Achache

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 398, P. 124330 - 124330

Published: Feb. 24, 2024

Language: Английский

Citations

8
O-H⋯N, C-H⋯O, and O-H⋯π hydrogen bonds between water and 2-methylpyridine DOI

K. Ramya,

R. Shanmugam,

P. Mounica

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127593 - 127593

Published: April 1, 2025

Citations

0
Synthesis, Experimental and theoretical spectra, electronic, and medicinal properties of 3-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1,2,4-triazole DOI

M.B. Arthina Titlin,

Thomas Beena,

Mohammad Nikpassand

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1319, P. 139466 - 139466

Published: July 29, 2024

Language: Английский

Citations

2
Solvent effects on spectroscopic, electronic, and topological analyses, Hirshfeld surface, ADME, and molecular docking studies on antiviral pyridine carboxamide derivatives DOI
Aslı Eşme, Dorota Kwiatek, Zbigniew Hnatejko

et al.

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 396, P. 123940 - 123940

Published: Dec. 30, 2023

Language: Английский

Citations

6
Dual Functionality of DTPMP and OHA: Enhancement in Removal Rates and Excellent Surface Quality of Cobalt CMP DOI

Liunan She,

Yingqi Di,

Le Zhai

et al.

Electrochimica Acta, Journal Year: 2024, Volume and Issue: unknown, P. 145591 - 145591

Published: Dec. 1, 2024

Language: Английский

Citations

1
Molecular level interaction, molecular structure, chemical reactivity, electronic and topological exploration and docking studies of 1-acetyl-4-piperidinecarboxylic acid DOI

Selvakumari Selvaraj,

S. Muthu,

A. Manikandan

et al.

Zeitschrift für Physikalische Chemie, Journal Year: 2024, Volume and Issue: 238(9), P. 1705 - 1729

Published: Feb. 27, 2024

Abstract The current study deals with the theoretical enquiries of 1-acetyl-4-piperidinecarboxylic acid, a derivative piperidine. moiety piperidine has extensive spread usages in field pharmacology. Employing DFT techniques, analysis on caption compound was performed and optimised molecular structure obtained. Energy gap between HOMO LUMO along global reactivity parameters, NLO behaviour, electrostatic potential studies were computed analysed for heading gaseous & solvent phases (methanol, ethanol acetone). On chemical title, topology research such as ELF, LOL RDG conducted different phases. Electron2013hole excited states executed. TD-DFT methodology been used to assist scrutiny UV–visible spectra dissimilar solvents. energy interaction densities electron acceptor donor bonds using NBO research. To confirm reactive sites molecule, Fukui functions accomplished. Additionally, docking against antithrombotic targets achieved employing autodock tools drug-like characteristics also discovered. steadiness targeted proteins projected Ramachandran plots.

Language: Английский

Citations

0
In vitro cytotoxicity activity (MTT assay), Experimental spectral investigations, Quantum Computational, Solvents performance, and biological evaluation on N-tert-Butoxycarbonylimidazole DOI
Dona Benny, Johanan Christian Prasana,

M. Thirunavukkarasu

et al.

Journal of the Indian Chemical Society, Journal Year: 2024, Volume and Issue: unknown, P. 101366 - 101366

Published: Sept. 1, 2024

Language: Английский

Citations

0