Synthesis, structural and theoretical studies, and biological evaluation of a nickel(II) complex derived from N4-tetradentate 1,2,4-triazole-derived ligand as potential anti-Alzheimer's agent DOI

Yevgen V. Herasymenko,

Maxym O. Plutenko, Dmytro M. Khomenko

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140121 - 140121

Published: Sept. 1, 2024

Language: Английский

Integrative Approach and Computational Simulations of Hydrated Form of 5-Amino-1H-1,2,3,4-Tetrazole Single Crystal DOI

M. G. Darsana,

D. G. Arya,

B.R. Bijini

et al.

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 28, 2025

Language: Английский

Citations

0
Tuning the lipophilicity of new ciprofloxacin derivatives in selected ESKAPE bacteria with emphasis on E. coli mutants DOI

Elisabetta Cassese,

Dominik Koszelewski, Anna Brodzka

et al.

Bioorganic Chemistry, Journal Year: 2025, Volume and Issue: 158, P. 108324 - 108324

Published: March 4, 2025

Language: Английский

Citations

0
Adsorption of Linuron by the chitosan-bentonite composite: Kinetic, thermodynamic, and theoretical studies DOI
Lama Rissouli, Mohamed Berradi,

Mohamed Chabbi

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115160 - 115160

Published: March 1, 2025

Language: Английский

Citations

0
Two new square-planar Cu(II) complexes derived from a heterocyclic pyrazolone ligand: synthesis, in vitro anticancer activity, DFT and Hirshfeld analysis DOI

Sapna Barad,

R.N. Jadeja, Ray J. Butcher

et al.

Transition Metal Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 18, 2025

Language: Английский

Citations

0
DFT insights into assembling [8]MCPP with [14]pyridine nanobelts for amino acid sensing DOI
Ahmed Al‐Omari

Journal of Molecular Graphics and Modelling, Journal Year: 2025, Volume and Issue: unknown, P. 109056 - 109056

Published: April 1, 2025

Language: Английский

Citations

0
Phytochemical bioactivity, antibacterial and antioxidant profiling of B/nZVCu-M nanoparticles biosynthesized using Ocimum sanctum leaves extract DOI
Dipanwita Basak,

Purnamashi Brahma,

Sharmistha Brahma Kour

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 114483 - 114483

Published: April 1, 2025

Language: Английский

Citations

0
Synthesis, crystal growth, optical, thermal, electrical and theoretical investigation on 1,2,3- benzotriazole 2-chloro 4-nitrobenzoic acid (BCNB) single crystal for nonlinear optical (NLO) applications DOI

B. Sahaya Infant Lasalle,

Muthu Senthil Pandian,

P. Ramasamy

et al.

Inorganic Chemistry Communications, Journal Year: 2023, Volume and Issue: 157, P. 111388 - 111388

Published: Sept. 7, 2023

Language: Английский

Citations

10
Influence of the solvents through molecular structure, wavefunction studies, biological activity prediction and molecular docking studies of 4,4-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) bis(2-methoxyphenol) DOI

N. Elangovan,

T. Sankar Ganesan,

R. Vignesh

et al.

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 391, P. 123334 - 123334

Published: Oct. 13, 2023

Language: Английский

Citations

9
Synthesis of HER-capable cobalt metal organic framework using a straightforward reflux method and a thorough spectroscopic and theoretical analysis DOI
Sudarshan Pradhan, Pritika Gurung, Anmol Chettri

et al.

Journal of the Indian Chemical Society, Journal Year: 2024, Volume and Issue: 101(6), P. 101166 - 101166

Published: April 30, 2024

Language: Английский

Citations

2
Structural modification of graphene material by silicon mono-doping and co-doping with heteroatoms as sensors for methyl tert-butyl ether (MTBE) as a fuel additive: Insight from DFT and MD simulation DOI
Alpha O. Gulack,

Temple Okah Arikpo,

Innocent Benjamin

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1239, P. 114669 - 114669

Published: May 28, 2024

Language: Английский

Citations

2