Monatshefte für Chemie - Chemical Monthly ( IF 1.7 ) Pub Date : 2021-08-24 , DOI: 10.1007/s00706-021-02828-1 Sabina Šaćirović 1 , Mališa Antić 1 , Jelena Đorović Jovanović 2 , Dušica Simijonović 2 , Zoran Marković 2, 3 , Dušan Dimić 4 , Zorica Petrović 5 , Nedeljko Manojlović 6
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The phenolic compounds, which are rich in red wine, have gained considerable attention due to their antioxidant potential. Selected Serbian wines were analyzed for their antioxidant activity by DPPH test and the total content of phenolic compounds was determined by employing the Folin–Ciocalteu colorimetric method. The major polyphenols were determined by HPLC. The antioxidant activity was correlated with the amount of specific polyphenols (gallic acid, caffeic acid, catechin, epicatechin, myricetin, and kaempferol) by quantitative structure–activity relationship. The origin of the antioxidant potential of wines was discussed based on the individual activity of identified polyphenols and theoretical calculations (at APFD/6-311++G(d,p) level of theory). The thermodynamic parameters of free radical scavenging activity and reactivity towards DPPH·, HO·, and HOO· were explained with special emphasis on the effect of structure and intramolecular interactions in polyphenols. Based on the presented data, the positive effects of selected Serbian wines on humane health and biologically relevant free radicals are concluded.
Graphic abstract
中文翻译：
关于精选葡萄酒抗氧化潜力的起源：结合 HPLC、QSAR 和 DFT 研究
红葡萄酒中富含的酚类化合物因其抗氧化潜力而备受关注。通过 DPPH 测试分析选定的塞尔维亚葡萄酒的抗氧化活性，并使用 Folin-Ciocalteu 比色法测定酚类化合物的总含量。主要多酚通过HPLC测定。通过定量构效关系，抗氧化活性与特定多酚（没食子酸、咖啡酸、儿茶素、表儿茶素、杨梅素和山奈酚）的含量相关。基于已鉴定多酚的个体活性和理论计算（APFD/6-311++G(d,p) 理论水平）讨论了葡萄酒抗氧化潜力的起源。自由基清除活性和对 DPPH 反应性的热力学参数·、HO ·和 HOO ·的解释特别强调了多酚中结构和分子内相互作用的影响。根据所提供的数据，可以得出选定的塞尔维亚葡萄酒对人类健康和生物相关自由基的积极影响。
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