Antioxidant Behavior Affected by Polarity in the Olive Oil: Experimental and Molecular Simulation Investigations,ACS Omega

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Antioxidant Behavior Affected by Polarity in the Olive Oil: Experimental and Molecular Simulation Investigations
ACS Omega ( IF 3.7 ) Pub Date : 2021-03-04 , DOI: 10.1021/acsomega.1c00120
Jie Tang ₁ , Guohua You ₂ , Lu Ruan ₁ , Yi Lu ₁ , Bianying Wen ₃ , Sizhu Wu ₁

Affiliation

Natural antioxidants are essential potential sources for protecting the oxidation of food oils. However, until now, the mechanisms are still not very clear, especially from the quantitatively theoretical level to analyze the antioxidant behavior. In this work, the micromechanisms of the antioxidant behavior affected by polarity in the olive oil were systematically investigated by experimental and computational methods. The results showed that the polarity of antioxidants decreased with the growth of the alkyl chains, which had multiple impacts on the effectiveness of antioxidants. The excessive polarity gap between the antioxidant and oil molecules would cause the antioxidant to be dispersed at the oil–air interface, which could enhance their antioxidant ability. Meanwhile, the antioxidants with longer alkyl chains had lower polarity and better dispersibility but decreased mobility. Hence, compared with other antioxidants, medium polarity antioxidants presented both good dispersion and relatively suitable migration, indicating that they would have an optimal antioxidant effect.

中文翻译：

橄榄油极性影响的抗氧化行为：实验和分子模拟研究

天然抗氧化剂是保护食用油氧化的重要潜在来源。然而，到目前为止，其机制仍然不是很清楚，特别是从定量理论层面来分析抗氧化行为。在这项工作中，通过实验和计算方法系统地研究了橄榄油中极性影响的抗氧化行为的微观机制。结果表明，抗氧化剂的极性随着烷基链的增长而降低，这对抗氧化剂的有效性产生多重影响。抗氧化剂与油分子之间极性间隙过大，会导致抗氧化剂分散在油气界面，从而增强其抗氧化能力。同时，烷基链较长的抗氧化剂极性较低，分散性较好，但流动性较低。因此，与其他抗氧化剂相比，中等极性抗氧化剂既具有良好的分散性，又具有相对合适的迁移性，表明其具有最佳的抗氧化效果。

更新日期：2021-03-16

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