DFT study of radical scavenging activity of sesame oil lignans and selected in vivo metabolites of sesamin
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- 作者：Anastasios G. Papadopoulosa ; Nikolaos Nenadisb ; niknen@chem.auth.gr" class="auth_mail" title="E-mail the corresponding author ; Michael P. Sigalasa ; sigalas@chem.auth.gr" class="auth_mail" title="E-mail the corresponding author
- 关键词：DFT ; Sesame oil ; Lignans ; Sesamin ; Pinoresinol ; Radical scavenging
- 刊名：Computational and Theoretical Chemistry
- 出版年：2016
- 出版时间：1 February 2016
- 年：2016
- 卷：1077
- 期：Complete
- 页码：125-132
- 全文大小：706 K
文摘
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The antioxidant activity of sesamin and related compounds were examined with DFT.
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Non phenolic hydrogen atoms can be transferred to free radicals.
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Reaction through hydrogen atom transfer affect molecular planarity.
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Sesamin in vivo metabolites with catechol group are the most efficient antioxidants.
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Sesamin metabolism lead to progressive loss of radical scavenging activity.