摘要
本文对肉桂醛、酸及其衍生物的抑菌效果进行了测定，对其量子化学参数进行了计算，并对这类化合物抗菌活性和分子化学结构之间的关系进行了相关分析。结果表明，该类化合物抑菌率EFPO、ELUMO和EHOMO的相关系数分别为一0．7814（p＜0．05）、－0．7328（0．05＜ρ＜0．1）和0．6318（ρ＞0．1）。该类化合物的抗菌活性中心原子可能是羰基氧、α-碳、β-碳，由这些原子组成的不饱和羰基共轭体系可能是抗菌剂的活性功能域．
Antibaterial activity of cinnamaldehydes and cinnamates were determined and there quantum chemical parameters were calculated with complete neglect of differential over lap method, and the regression and correlation analyses between the antibacterial activity and molecular structure characteristics of these compounds were given. Results show that the regressive coefficient between the antibacterial ratio and EFPD, ELU MO and EHOMO were -0. 7814 (ρ＜0. 05), －0. 7328 (0. 05＜ρ＜0．1) and 0. 6318 (ρ＞0．1) respectively.The α, β-unsaturated carbonyl group structure is the antibacterial function domain of these compounds, and the active centers are located at acarbon, β-carbon and oxygen in carbonyl groups.
出处
《广州化学》
CAS
1996年第2期32-37,共6页
Guangzhou Chemistry
关键词
肉桂醛
肉桂酸
抗菌活性
化学结构
cinnamaldehyeds and cinnamates, antibacterial activity, chemical structure
