摘要
用半经验量子化学方法ＡＭ１计算了茶多酚四种成分ＥＧＣＧ、ＥＧＣ、ＥＣＧ和ＥＣ的△ＨＯＦ值、ＨＯＭＯ能级，以此为理论指标从不同机制比较了它们的抗氧化活性，解释了实验所得的结论，并进一步探讨了ＥＧＣＧ与其他黄酮抗氧化剂活性差异的原因。
Semiempirical method AMl was employed to calculate △HOF values and HOMO levels of four components of green tea polyphenols, EGCG,EGC,ECG,and EC.The data were used as theoretical parameters to compare the antioxidant activity of the four components considering different mechanisms, and elucidate the experimental results. The differences between activity of EGCG and other flavonoid antioxidants were investigated as well.
出处
《中国油脂》
CAS
CSCD
北大核心
1998年第6期45-46,共2页
China Oils and Fats
关键词
茶多酚
AM1方法
构效关系
抗氧化剂
EGCG
green tea polyphenols
antioxidant activity
quantum chemistry
AMl method
structure-activity relationship
