蜂胶中七种黄酮抗氧化活性差异的理论研究

Theoretical Study on Activity Differences of Seven Flavonoid Antioxidants from propolis

本文用一种组合的密度泛函理论方法计算了蜂胶中高效液相色谱分离的7种黄酮的O-H的△HOF值(抗氧化剂与其抽氢反应产生的自由基的生成热之差),用以比较这7种黄酮的抗氧化性的强弱顺序,其比较结果与构效关系讨论一致。

In order to obtain the activity differences of seven flavonoid antioxidants which were separated from propolis by HLPC ,we used a combined density functional theory （DET）method to calculate their △HOF of O-H（the difference of heat of formation between antioxidant and its free radical）. It was suggested that the result was consisted with the structure＇activity relationships. Thus the calculate resuhcan offer theoretical reference for choosing higher active flavonoid antioxidants from propolis.