Kinetics and Mechanism of the Antioxidant Action of Phenothiazine and Its Derivatives in the Radical Chain Oxidation Reaction of Isopropyl Alcohol

IF 1.8 4区化学 Q2 CHEMISTRY, ORGANIC

Journal of Physical Organic Chemistry Pub Date : 2025-09-13 DOI:10.1002/poc.70038

K. S. Sharaeva, G. M. Shaymordanova, I. V. Safarova, E. F. Safarov, A. Ya. Gerchikov, Yu. S. Zimin, D. A. Nedopekina, A. Yu Spivak

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Abstract

A series of biologically active phenothiazine derivatives were studied as inhibitors of the free-radical chain oxidation of isopropyl alcohol by atmospheric oxygen. It was found that these compounds exhibit antioxidant properties, effectively suppressing the oxidation process. The key rate constants quantitatively characterizing the efficiency of their antioxidant action were determined. Mathematical modeling was used to analyze the proposed oxidation mechanism, identifying the critical stages that determine the inhibitory efficacy of phenothiazines. It was shown that the inhibitor regeneration reaction plays a significant role, leading to a high inhibition capacity. The application of mathematical modeling allowed the proposal of an oxidation mechanism that provides a comprehensive explanation for all currently available experimental and literature data.

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吩噻嗪及其衍生物在异丙醇自由基链氧化反应中的抗氧化作用动力学及机理

研究了一系列具有生物活性的吩噻嗪衍生物对异丙醇自由基链氧化的抑制作用。研究发现，这些化合物具有抗氧化特性，能有效抑制氧化过程。确定了定量表征其抗氧化效果的关键速率常数。利用数学模型分析了提出的氧化机制，确定了决定吩噻嗪抑制效果的关键阶段。结果表明，该抑制剂在再生反应中起重要作用，具有较高的抑制能力。数学模型的应用使氧化机制的提出成为可能，为目前所有可用的实验和文献数据提供了一个全面的解释。

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来源期刊

Journal of Physical Organic Chemistry 化学-物理化学

CiteScore

3.60

自引率

11.10%

发文量

161

审稿时长

2.3 months

期刊介绍： The Journal of Physical Organic Chemistry is the foremost international journal devoted to the relationship between molecular structure and chemical reactivity in organic systems. It publishes Research Articles, Reviews and Mini Reviews based on research striving to understand the principles governing chemical structures in relation to activity and transformation with physical and mathematical rigor, using results derived from experimental and computational methods. Physical Organic Chemistry is a central and fundamental field with multiple applications in fields such as molecular recognition, supramolecular chemistry, catalysis, photochemistry, biological and material sciences, nanotechnology and surface science.