Machine Learning in Chemistry about 3-Methylbenzoic acid

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Recently I am researching about OXIDATIVE STRESS; HYDROGEN-PEROXIDE; RADICAL-CATION; VITAMIN-E; MECHANISMS; ATOM; DERIVATIVES; INHIBITION; MANAGEMENT; REDUCTION, Saw an article supported by the Ministry of Education, Science and Technological Development of the Republic of Serbia [172016, 172014, 172015, III43004]. Published in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER in ISSY-LES-MOULINEAUX ,Authors: Jakovljevic, K; Joksovic, MD; Botta, B; Jovanovic, LS; Avdovic, E; Markovic, Z; Mihailovic, V; Andric, M; Trifunovic, S; Markovic, V. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Recommanded Product: 3-Methylbenzoic acid

A series of 15 novel 1,3,4-thiadiazole amide derivatives containing a protocatechuic acid moiety were synthesized and structurally characterized. In addition, the corresponding imino (4) and amino (5) analogues of a phenyl-substituted 1,3,4-thiadiazole amide derivative 3a were prepared to compare the effects of the structural changes on the radical-scavenging activity. The obtained compounds were examined for their antioxidative potential by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays. In addition, selected compounds were studied by density functional theory (DFT) and cyclic voltammetry experiments. The tested compounds showed high potential to scavenging DPPH radical and ABTS radical cation compared with the referent antioxidants ascorbic acid and nordihydroguaiaretic acid (NDGA). On the basis of the calculated thermodynamic parameters, it can be concluded that the sequential proton loss electron transfer (SPLET) mechanism represents the most probable reaction path in a polar solvent for DPPH radical-scavenging activity. On the other hand, the single electron transfer followed by proton transfer (SET-PT) can be a likely mechanistic pathway in the case of an ABTS radical cation. (C) 2019 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com