{"title":"牛至主要精油化学活性的理论研究","authors":"Faik Gökalp, T. Demir","doi":"10.33435/tcandtc.543411","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":36025,"journal":{"name":"Turkish Computational and Theoretical Chemistry","volume":"307 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2019-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Theoretical Study On The Chemical Activities Of The Mainly Oregano Essential Oils\",\"authors\":\"Faik Gökalp, T. Demir\",\"doi\":\"10.33435/tcandtc.543411\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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.\",\"PeriodicalId\":36025,\"journal\":{\"name\":\"Turkish Computational and Theoretical Chemistry\",\"volume\":\"307 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-12-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Turkish Computational and Theoretical Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.33435/tcandtc.543411\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Biochemistry, Genetics and Molecular Biology\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Turkish Computational and Theoretical Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.33435/tcandtc.543411","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Biochemistry, Genetics and Molecular Biology","Score":null,"Total":0}
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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