Combined Experimental and Computational Studies of N-Phenyl-o-benzenedisulfonimide: Spectroscopy, DFT Calculations, and Druggability Analysis DOI
Sedat Gümüş, Mohammad Sadegh Sadeghi Googheri,

Ahmet Gokhan Kazan

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 141192 - 141192

Published: Dec. 1, 2024

Language: Английский

Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid DOI

P. Divya,

V.S. Jeba Reeda,

S. Renuga

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139160 - 139160

Published: June 27, 2024

Language: Английский

Citations

10
Synthesis, characterization, anticancer potential and mechanisms of cytotoxic activity of phosphoramide derivatives; experimental and theoretical study DOI
Khodayar Gholivand, Azam Barzegari, Marjan Ghorbani-Anarkooli

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 113917 - 113917

Published: Jan. 1, 2025

Language: Английский

Citations

1
Insights into antimicrobial potential of functionalized thiazoles: In vitro and in silico analysis DOI
Hamid Aziz

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127064 - 127064

Published: Feb. 1, 2025

Language: Английский

Citations

1
New Methods for the Synthesis of Highly Fluorescently Substituted Heterocyclic Boranils: Structural Identification and Photophysical Properties DOI Creative Commons
Soumaya Agren, Jamal El Haskouri, Emmanuel Beyou

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(3)

Published: Feb. 17, 2025

ABSTRACT We report the synthesis, structural, thermal, and photophysical properties of six boranils ((A‐F)‐BF2). Compounds (A‐C)‐BF2 were synthesized at low temperature, while nitro pyridine derivatives obtained 80°C with yields up to 66%. Tert‐butyl chloro‐substituted showed thermal stability 300 °C. All fluorescent, tuned by phenyl substitution boron difluoride complexation. The lowest energetic gap (2.210 eV) was found in (D‐BF2), which exhibited a remarkable red‐shift absorption emission due charge transfer between donor acceptor groups. This work is part ongoing studies on metal cation detection photocatalysis.

Language: Английский

Citations

1
Experimental and theoretical investigation of indole analogs as potential antibacterial agents: Design, synthesis, characterization, in-vitro bioevaluation, molecular docking and ADMET studies DOI

Mokhtaria Kadiri,

Abdelmadjid Benmohammed,

Abdallah Cherif

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141514 - 141514

Published: Jan. 1, 2025

Language: Английский

Citations

0
Reactions of pyridine ketones with dicyclopentylzinc DOI
Liliya Z. Latypova, E. Sh. Saigitbatalova,

Oleg A. Mikhailov

et al.

Russian Chemical Bulletin, Journal Year: 2025, Volume and Issue: 74(3), P. 755 - 764

Published: March 1, 2025

Language: Английский

Citations

0
Molecular modeling and antimicrobial activity of newly synthesized benzothiazole-thiazole conjugates DOI
Arwa Alharbi,

Mansoor Alsahag,

Ali Alisaac

et al.

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2024, Volume and Issue: 456, P. 115852 - 115852

Published: June 22, 2024

Language: Английский

Citations

2
Design, characterization, and DFT exploration of new quinazoline-N-substituted analogs: Anti-cancer activity and molecular docking insights DOI
Yassine Riadi, Mohammed H. Geesi,

Syeda Abida Ejaz

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140420 - 140420

Published: Oct. 1, 2024

Language: Английский

Citations

2
Preservative for High Antioxidant and Antimicrobial Activity and Low Toxicity DOI

Conghao Lin,

Chenglong Cai,

Qiong Wu

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(49), P. 26055 - 26066

Published: Nov. 26, 2024

There is an urgent need for highly efficacious and minimally toxic preservatives vegetables fruits to ensure extended freshness safety. Using natural polymer starch as the matrix, we produced nicotinated starch-ethylamine (NSA) based on N,N′-carbonyldiimidazole (CDI) acting catalyst 2-chloroethylaminehydrochloride nucleophile. To strengthen antimicrobial antioxidant activity, NSA was reacted with three different cinnamic acids prepare derivatives bearing cinnamyl (CNSA, DNSA, ENSA). With a grafting rate of 27%, ENSA demonstrated notable capability reaching ∼85% at 1.6 mg/mL. Also, it displayed inhibitory indices 88.14%, 89.11%, 77.90% against Botrytis cinerea, Phomopsis asparagi, Glomerella cingulate, respectively, concentration 1.0 The cytotoxicity test showed that 293T cell survival ratio reached 101.5%. In addition, sample able extend shelf life cherry tomatoes by days. This study has successfully developed novel starch-based preservative not only possesses excellent properties but also effectively extends produce, demonstrating its broad application prospects in field fruit vegetable storage preservation.

Language: Английский

Citations

1
Exploration of Pyridine-thiazolidin-4-one: Synthesis, DFT Study, UV-Vis/ Fluorescence Spectroscopy Analysis, Antibacterial Evaluation and Molecular Docking DOI
Reem Shah

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140465 - 140465

Published: Oct. 1, 2024

Language: Английский

Citations

0