Synthesis, solvent role (water and DMSO), antimicrobial activity, reactivity analysis, inter and intramolecular charge transfer, topology, and molecular docking studies …

N Elangovan, S Sowrirajan, N Arumugam… - Journal of Molecular …, 2023 - Elsevier
In the current study, a molecule (E)-3-(((9H-purin-6-yl) imino) methyl) phenol (A3H) was
made and its structure was characterized through the application of spectroscopic …

Synthesis, characterization, DFT, vibrational analysis (FT-IR and FT-Raman), topology and molecular docking studies of 3, 3′-((1E, 1′ E)-((sulfonylbis (4, 1 …

T Gobi, N Elangovan, S Sowrirajan, MS Islam… - Journal of Molecular …, 2024 - Elsevier
Abstract The 3, 3′-((1E, 1′ E)-((sulfonylbis (4, 1-phenylene)) bis (azaneylylidene)) bis
(methaneylylidene)) diphenol (D3H) was characterized by experimental and theoretical …

Thioether-based novel transition metal complexes: Synthesis, DNA interaction, in vitro biological assay, DFT calculations, and molecular docking studies

A Singh, P Barman, HP Gogoi - Bioorganic Chemistry, 2023 - Elsevier
A novel Schiff base ligand 2-(((2-(benzylthio) phenyl) imino) methyl)-4-chlorophenol and its
cobalt, nickel, copper, and zinc metal complexes were prepared. Using B3LYP/6–31++ G (d …

Sonophotochemical and photochemical efficiency of thiazole-containing metal phthalocyanines and their gold nanoconjugates

N Farajzadeh, HY Yenilmez… - Turkish Journal of …, 2023 - journals.tubitak.gov.tr
This study presents the synthesis of some metal {M= Zn (II), Lu (III), Si (IV)} phthalocyanines
bearing chlorine and 2-(4-methylthiazol-5-yl) ethoxy groups at peripheral or axial positions …

Structural, Solvatochromic, NLO, and Molecular Docking Studies of Positional Isomers of Chlorobenzaldehyde Phenylhydrazone: An Experimental and Computational …

A Hemamalini, C Rajarathinam, AWB Paul… - Journal of Molecular …, 2025 - Elsevier
Aryl phenylhydrazones find wider applications in organic synthesis and drug discovery.
They also exhibit significant solvatochromic shifts in absorption and emission spectra which …

Synthesis, spectral, DFT, topology, NCI and molecular docking studies of (1E, 1′ E)-N, N'-(sulfonylbis (4, 1-phenylene)) bis (1-(4-bromophenyl) methanimine)

V Tamilselvi, M Arivazhagan, M Thirumavalavan… - Journal of Molecular …, 2024 - Elsevier
The present study investigated the synthesis, structural, topological, and electronic
properties of (1E, 1′ E)-N, N'-(sulfonylbis (4, 1-phenylene)) bis (1-(4-bromophenyl) …

Influence of Steric and Electronic Effects in Structure‐Activity Relationships of Schiff Base Ligands: Green Synthesis, Characterization, DFT/TD‐DFT Calculations …

A Singh, P Barman, HP Gogoi - ChemistrySelect, 2022 - Wiley Online Library
Three novel Schiff base ligands derived from 2‐(benzylthio) aniline and substituted
benzaldehydes, ie, 3, 5‐di‐tert‐butyl‐2‐hydroxybenzaldehyde, 3, 5‐dibromo‐2 …

Cyclization of 2-Aminopyridines as Binucleophile and Mucobromic Acid as C3 Synthon: A New Access to Imidazo [1, 2-a] Pyridines

Q Chen, HQ Li, ZH Chen, ZJ Chen… - Current Chinese …, 2023 - ingentaconnect.com
For the first time, we have developed a strategy that provides an access to imidazo [1, 2-a]
pyridines via the cyclization of 2-aminopyridine with mucobromic acid as C3 synthon. In the …

Influence of electron-donating groups on the aniline oxidative coupling reaction with promethazine: a comprehensive experimental and theoretical investigation

HS Salih, MT Kareem, KJ Jibrael - Reaction Kinetics, Mechanisms and …, 2024 - Springer
This study explores oxidative coupling of para-aniline derivatives, including (p-methylthio
aniline, p-methyl aniline, p-methoxy aniline, p-hydroxy aniline and p-amino aniline). The …