An investigation of the olive phenols activity as a natural medicine

• Published in: Yàowu shi͡p︡in fenxi 2018-04, Vol.26 (2), p.657-661
• Main Author: Gökalp, Faik
• Format: Article
• Language: English
• Subjects: 1,4-Benzoquinone; 1,4-Hydroquinone; Antioxidants; Antioxidants - chemistry; Antioxidants - metabolism; Atherosclerosis; Benzoquinone; Biosynthesis; Blood; Cardiovascular disease; Density functional theory; DFT; Diet Therapy; Electron transfer; Endothelium; Flavonoids; Free radicals; Gene expression; Humans; Hydrogen; Hydroquinone; Inflammation; Investigations; Methods; Molecular chains; Molecular orbitals; Oils & fats; Olea - chemistry; Olea - metabolism; Olive oil; Olive Oil - chemistry; Olive Oil - metabolism; Original; Oxidation; Oxidative stress; Peroxy radicals; Phenolic compounds; Phenols; Phenols - blood; Phenols - chemistry; Quinones; Semiquinone
• ISSN: 1021-9498; 2224-6614
• DOI: 10.1016/j.jfda.2017.07.003

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. The frontier orbital gap HOMO–LUMO difference is the smallest for 1,4-benzoquinone hence, it is more stable than 1,4-hydroquinone, Semiquinone in blood. [Display omitted] •The phenolic structures of olive’s activities are related to the formation of stable derivatives.•1,4-Hydroquinone is the best hydrogen or electron donor to the radical forms.•Semiquinone is more polarizable and the most active form of them.•1,4-Benzoquinone is more stable than Semiquinone and 1,4-hydroquinone.