The natural antioxidants of olive oil have phenolic structure and their activities are related to the formation of stable derivatives. In this study, the single components of the phenolic fraction of olive oil (1,4-hydroquinone, Semiquinone and 1,4-benzoquinone) have been studied as theoretical by using DFT (Density functional Theory). The behaviors of phenolic compounds of olive against to the alkyl peroxy radicals were investigated. Our data show that 1,4-benzoquinone is the best electron transfer agent in primary metabolic processes to human life. The frontier orbital gap, namely HOMO (highest occupied molecular orbital)-LUMO (lowest unoccupied molecular orbital) gap is the smallest for 1,4-benzoquinone. Hence, it is more stable than the others in blood. The natural phenolic compound's mechanism of many plants can be explained by using DFT method without consuming time and money. In this study, we have indicated the behaviors of natural antioxidants of olive oil's single components phenolic structure in blood phase.

中文翻译：

---

橄榄酚作为天然药物的活性研究

橄榄油的天然抗氧化剂具有酚类结构，其活性与稳定衍生物的形成有关。在这项研究中，使用 DFT（密度泛函理论）对橄榄油酚类馏分的单一成分（1,4-氢醌、半醌和 1,4-苯醌）进行了理论研究。研究了橄榄酚类化合物对抗烷基过氧自由基的行为。我们的数据表明，1,4-苯醌是人类生命初级代谢过程中最好的电子转移剂。前沿轨道间隙，即HOMO（最高占据分子轨道）-LUMO（最低未占分子轨道）间隙对于1,4-苯醌来说是最小的。因此，它在血液中比其他人更稳定。天然酚类化合物' 许多植物的 s 机制可以用 DFT 方法来解释，而不需要花费时间和金钱。在这项研究中，我们已经表明了橄榄油单组分酚结构的天然抗氧化剂在血相中的行为。