An investigation of the olive phenols activity as a natural medicine

gokalp, faik/0000-0003-4363-3839WOS: 000430263700022PubMed: 29567235The 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) eLUMO (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. Copyright (c) 2017, Food and Drug Administration, Taiwan. Published by Elsevier Taiwan LLC. This is an open access article under the CC BY-NC-ND license.Kirikkale UniversityKirikkale University [BAP-2017/019]; Gaussian programs of Kirikkale University [09W64]The calculations are carried out in the Computing Center and Gaussian 09W64 programs of Kirikkale University. This study is supported by the Scientific Research Projects of Kirikkale University (BAP-2017/019)