黄酮醇在极性溶剂中主要抗氧化作用的热力学研究

IF 0.9 Q4 CHEMISTRY, MULTIDISCIPLINARY Acta Chimica Slovaca Pub Date : 2019-04-01 DOI:10.2478/acs-2019-0016
M. Michalík, J. Rimarčík, Vladimír Lukes, E. Klein
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引用次数: 3

摘要

摘要最近,一篇关于黄酮类化合物抗氧化活性的报道发表了,作者得出结论,氢原子转移机制代表了在极性介质中热力学优选的机制(https://doi.org/10.1016/j.foodres.2018.11.018)。不幸的是,论文理论部分的严重错误导致了错误的结论。计算了六种黄酮醇(高良姜、山奈酚、槲皮素、桑色素、杨梅素和非西汀)与三种主要抗氧化作用机制相关的反应焓。基于所得结果,提出了分子内氢键(IHB)在抗氧化作用热力学中的作用。还简要解释和讨论了质子和电子的溶剂化焓的计算以及在确定热力学优选机理中的作用。考虑到顺序质子损失电子转移热力学优选反应途径,所获得的结果与已发表的工作一致。
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Thermodynamics of primary antioxidant action of flavonols in polar solvents
Abstract Very recently, a report on the antioxidant activity of flavonoids has appeared, where authors concluded that Hydrogen Atom Transfer mechanism represents the thermodynamically preferred mechanism in polar media (https://doi.org/10.1016/j.foodres.2018.11.018). Unfortunately, serious errors in the theoretical part of the paper led to incorrect conclusions. For six flavonols (galangin, kaempferol, quercetin, morin, myricetin, and fisetin), reaction enthalpies related to three mechanisms of the primary antioxidant action were computed. Based on the obtained results, the role of intramolecular hydrogen bonds (IHB) in the thermodynamics of the antioxidant effect is presented. Calculations and the role of solvation enthalpies of proton and electron in the determination of thermodynamically preferred mechanism is also briefly explained and discussed. The obtained results are in accordance with published works considering the Sequential Proton-Loss Electron-Transfer thermodynamically preferred reaction pathway.
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来源期刊
Acta Chimica Slovaca
Acta Chimica Slovaca CHEMISTRY, MULTIDISCIPLINARY-
自引率
12.50%
发文量
11
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