Determination of the chain termination rate constants of the radical chain oxidation of organic compounds on antioxidant molecules by the QSPR method

被引：3

作者：

Martynova, Yu Z. ^{[1
]}

Khairullina, V. R. ^{[1
]}

Nasretdinova, R. N. ^{[1
]}

Garifullina, G. G. ^{[1
]}

Mitsukova, D. S. ^{[1
]}

Gerchikov, A. Ya ^{[1
]}

Mustafin, A. G. ^{[1
]}

机构：

[1] Bashkir State Univ, 32 Ul Z Validi, Ufa 450076, Republic Of Bas, Russia

来源：

RUSSIAN CHEMICAL BULLETIN | 2020年 / 69卷 / 09期

基金：

俄罗斯科学基金会;

关键词：

antioxidant activity; antioxidants; QSPR modeling; GUSAR; 2013; program; MNA and QNA descriptors; THYMIDYLATE SYNTHASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY; QSAR; DERIVATIVES; VALIDATION; MECHANISMS; SERIES;

D O I：

10.1007/s11172-020-2948-7

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A quantitative analysis of the structure-antioxidant activity relationship was performed for 128 derivatives of phenols, amines, uracil, benzopyrane, and benzofuran using the GUSAR 2013 program. Nine statistically significant QSAR consensus models characterized by a high accuracy of prediction of the chain termination rate constant of oxidation on the antioxidant molecules were constructed. The results of the structural analysis performed in the GUSAR 2013 program are in good agreement with the literature data.

引用

页码：1679 / 1691

页数：13

共 50 条

[1] Determination of the chain termination rate constants of the radical chain oxidation of organic compounds on antioxidant molecules by the QSPR method
Yu. Z. Martynova
V. R. Khairullina
R. N. Nasretdinova
G. G. Garifullina
D. S. Mitsukova
A. Ya. Gerchikov
A. G. Mustafin
[J]. Russian Chemical Bulletin, 2020, 69 : 1679 - 1691
[2] QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates
Khairullina, Veronika
Martynova, Yuliya
Safarova, Irina
Sharipova, Gulnaz
Gerchikov, Anatoly
Limantseva, Regina
Savchenko, Rimma
[J]. MOLECULES, 2022, 27 (19):
[3] Antioxidant efficiency of triterpenoids in radical chain oxidation of organic compounds
Garifullina, G. G.
Nasretdinova, R. N.
Gerchikov, A. Ya.
Shaymordanova, G. M.
Petrova, A. V.
Mustafin, A. G.
[J]. REACTION KINETICS MECHANISMS AND CATALYSIS, 2024, 137 (01) : 39 - 51
[4] Antioxidant efficiency of triterpenoids in radical chain oxidation of organic compounds
G. G. Garifullina
R. N. Nasretdinova
A. Ya. Gerchikov
G. M. Shaymordanova
A. V. Petrova
A. G. Mustafin
[J]. Reaction Kinetics, Mechanisms and Catalysis, 2024, 137 : 39 - 51
[5] Cyclic mechanisms of chain termination in the oxidation of organic compounds
Laboratory of the Kinetics of Liquid-Phase Radical Reactions, Institute of Chemical Physics in Chernogolovka, Russian Academy of Sciences, 142432 Chernogolovka, Moscow Region, Russia
[J]. Russ. Chem. Rev, 6 (505-520):
[6] RATE CONSTANTS FOR CHAIN PROPAGATION AND TERMINATION IN OXIDATION OF N-ALKYLACETAMIDES
POZDEEVA, NN
SAPACHEVA, TI
ALEKSANDROV, AL
[J]. BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1976, 25 (08): : 1640 - 1642
[7] RATE CONSTANTS OF CHAIN PROPAGATION AND TERMINATION REACTIONS DURING OXIDATION OF POLYETHYLBENZENES
EFIMOVA, IV
MATVIENKO, AG
KACHURIN, IO
OPEIDA, IA
[J]. KINETICS AND CATALYSIS, 1987, 28 (02) : 418 - 421
[8] QSAR Assessing the Efficiency of Antioxidants in the Termination of Radical-Chain Oxidation Processes of Organic Compounds
Khairullina, Veronika
Safarova, Irina
Sharipova, Gulnaz
Martynova, Yuliya
Gerchikov, Anatoly
[J]. MOLECULES, 2021, 26 (02):
[9] RELATIVE CONSTANTS OF CHAIN TERMINATION RATE IN PRESENCE OF INHIBITORS DURING PHENYLACETYLENE OXIDATION
NEKIPELOVA, TD
GAGARINA, AB
[J]. DOKLADY AKADEMII NAUK SSSR, 1976, 226 (03): : 626 - 629
[10] EFFECTIVE CHAIN TERMINATION RATE CONSTANTS AT MANY-COMPONENT MIXTURE OXIDATION
OPEIDA, IO
[J]. DOPOVIDI AKADEMII NAUK UKRAINSKOI RSR SERIYA B-GEOLOGICHNI KHIMICHNI TA BIOLOGICHNI NAUKI, 1975, (12): : 1103 - 1105

← 1 2 3 4 5 →