牛至主要精油化学活性的理论研究

Q3 Biochemistry, Genetics and Molecular Biology

Turkish Computational and Theoretical Chemistry Pub Date : 2019-12-15 DOI:10.33435/tcandtc.543411

Faik Gökalp, T. Demir

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引用次数: 0

摘要

牛至精油中的天然活性化合物对人体健康非常有益，当用作治疗药物时。在这项研究中，我们检查了两种主要的牛至精油百里香酚和香芹酚。这些油有许多功能;主要是在新陈代谢的生化反应中。本研究采用B3LYP/6-31G(d,p)法，从理论上考察了香芹酚和百里香酚在气相、水相和血相中的化学活性。乙醇用作溶剂的时间点对研究结果很重要;因此，在本研究中;研究人员通过测定香芹酚与乙醇的有效率来解释其相互作用机制。

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A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils

The natural active compounds in Oregano essential oils are extremely beneficial for human health and when used as a drug for treatment. In this study, we have examined the two main Oregano essential oils Thymol and Carvacrol. These oils have many functions; predominantly, in biochemical reactions in metabolism. In our research, we theoretically investigated the chemical activities of Carvacrol and Thymol by using B3LYP/6-31G(d,p) method in the gas, water, and blood phases. The point at which ethanol was used as a solvent was important to the study outcome; hence, in this study; the researchers determined the effective rate of Carvacrol with ethanol to explain the interaction mechanism.

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来源期刊

Turkish Computational and Theoretical Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)

CiteScore

2.40

自引率

0.00%

发文量