摘要
通过量子化学计算,运用前线轨道理论、解离能数值以及原子的净电荷数比较何首乌中二苯乙烯苷与白藜芦醇的抗氧化活性,并初步推测了二苯乙烯苷抗氧化的反应活性位点。
Compared with resveratrol, structure-activity relationship of stilbene glycoside was studied by quantum chemistry calculation. It is indicated the antioxidant activity of stlibene glycoside, in contrast with resveratrol, from highest occupied/lowest unoccupied molecular orbital, heat of formation and the charge. Moreover, the activated group of stilbene glycoside was conjectured.
出处
《食品与机械》
CSCD
北大核心
2009年第5期57-58,89,共3页
Food and Machinery
基金
江苏省高校自然科学基础面上项目(编号:07KJD550117)
关键词
何首乌
二苯乙烯苷
白藜芦醇
抗氧化
构效
量子
化学
Polygon um rn ultiflorum
Stilbene glycoside
Resveratrol
Antioxidant
Structure-activity relationship antioxidant
Quantum chemistry
