| 茶叶中多酚类物质抗氧化活性的量子化学计算研究 |
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| 引用本文： | 唐华明,蔡伦红,李惠君,王孝仕,孟庆,周守叙,姚永宏.茶叶中多酚类物质抗氧化活性的量子化学计算研究[J].西南园艺,2012(7):7-13. |
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| 作者姓名： | 唐华明 蔡伦红 李惠君 王孝仕 孟庆 周守叙 姚永宏 |
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| 作者单位： | [1]重庆市南川区大观镇人民政府,408415 [2]重庆市农业科学院,401329 [3]四川农业大学小麦研究所,四川雅安625014 [4]宜宾职业技术学院生物与化工工程系,四川宜宾644003 |
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| 摘 要： | 抗氧化剂活性的评价是医药、保健、食品和化妆品等领域研究的热点课题。本文以茶叶中的多酚类物质为研究对象，采用AMl法对多酚类物质的抗氧化活性进行了量子化学计算。结果表明，通过比较生成热（HOF）值可以直接表征多酚类物质的抗氧化活性，即HOF值越低，多酚类的抗氧化活性越强。同时，本文对多酚类物质的抗氧化机理提出了新的观点：在多酚类物质的抗氧化过程中，酚羟基、氢原子和醇羟基都发挥了抗氧化作用。
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| 关 键 词： | 茶叶 多酚 抗氧化活性 AMI 量子化学计算 抗氧化机理 |
The Quantum Chemistry Calculation on the Antioxidative Activity of Polyphenols in Tea |
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| TANG HuaMing CAI LunHong,LI HuiJun,WANG XiaoShi,MENG Qing,ZHOU ShouXu,YAO YongHong.The Quantum Chemistry Calculation on the Antioxidative Activity of Polyphenols in Tea[J].Southwest Horticulture,2012(7):7-13. |
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| Authors: | TANG HuaMing CAI LunHong LI HuiJun WANG XiaoShi MENG Qing ZHOU ShouXu YAO YongHong |
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| Institution: | (Daguan Town People＇ s Governments of Nanchuan district, Chongqing 408415, China; ：Chongqing Academy of Agricultural Sciences, Chongqing 401329, China; 3The Wheat Research Instite of Sichuan Agricultural University, Ya＇ an, Sichuan 625014, China; 4The Department of Biology and Chemical Engineering of Yibin Vocational and Technical College, Yibin, Sichuan 644003; China) |
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| Abstract: | The evaluation on antioxidative activity of the antioxidant is a wide-attention project in medicine, sanitarian, food and cosmetic fields. In this paper, AM1 was employed to calculate the antioxidative activity of the polyphenols in tea. And the results showed that the heat of formation （HOF） value could be used directly to character the antioxidative activity of the polyphenols, the lower theHOF value of polyphenols was, the stronger the antioxidative activity was. At the same time, the paper put forward a new theory to the antioxidative mechanism of polyphenols. In the antioxidative processing of polyphenots, phenolic hydroxyl, hydrogen and alcoholic hydroxyl all exhibited their antioxidative effect. |
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| Keywords: | Tea Polyphenols Antioxidative activity AM1 Quantum chemistry calculation Antioxidativemechanism |
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