Theoretical insights into the radical scavenging activity of catecholamines in physiological environments: a comprehensive study

IF 3.1 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2025-09-07 DOI:10.1016/j.cplett.2025.142393

Quan V. Vo , Vo Thao My , Nguyen Thi Phuong , Nguyen Thi Hoa , Adam Mechler

引用次数: 0

Abstract

In this study, we investigated the antioxidant potency of catecholamines (CTAs) using kinetic and thermodynamic models in physiological environments. The results demonstrate that CTAs efficiently scavenge HOO^• radicals, with rate constants of 10³–10⁵ M⁻¹ s⁻¹ in nonpolar media and 10⁷–10⁹ M⁻¹ s⁻¹ in aqueous media. The activity order in lipids is 5-hydroxydopamine ≈ 6-hydroxydopamine > epinephrine ≈ dopamine > norepinephrine, while in aqueous solution, it is 5-hydroxydopamine > epinephrine ≈ norepinephrine ≈ 6-hydroxydopamine > dopamine. CTAs exhibit superior HOO^• scavenging activity than Trolox, comparable to ascorbic acid and trans-resveratrol, confirming their potent antioxidant properties in physiological conditions.

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儿茶酚胺在生理环境中自由基清除活性的理论见解：一项综合研究

在本研究中，我们利用动力学和热力学模型研究了生理环境下儿茶酚胺（cta）的抗氧化能力。结果表明，cta能有效清除HOO•自由基，在非极性介质中速率常数为103 ~ 105 M−1 s−1，在水介质中速率常数为107 ~ 109 M−1 s−1。脂质中的活性顺序为5-羟多巴胺≈6-羟多巴胺>；肾上腺素≈多巴胺>；去甲肾上腺素，水溶液中的活性顺序为5-羟多巴胺>；肾上腺素≈去甲肾上腺素≈6-羟多巴胺>；多巴胺。cta表现出比Trolox更强的HOO•清除活性，与抗坏血酸和反式白藜芦醇相当，证实了其在生理条件下有效的抗氧化特性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.