摘要
用紫外可见光谱法研究水溶性壳聚糖在甲醇 /水 ( 1∶1,V∶V)溶液中和黄酮类化合物槲皮素之间的氢键相互作用 ,通过改变壳聚糖结构单元与槲皮素分子之间的摩尔配比进行测试 ,结合闭壳受限Hartree Fock的分子轨道 (RHF)理论方法和组态单线态相互作用法 (CIS)对槲皮素分子共振结构的量子化学计算结果 ,可以认为槲皮素在溶液中是以醌式构型存在的 ,而壳聚糖通过氢键作用使槲皮素异构成为苯甲酰构型 .这种作用结果与壳聚糖结构单元的摩尔含量、作用时间呈线性增强的趋势 .高分辨NMR的结果说明其强烈的相互作用是存在的 .
The hydrogen-bonding interaction between soluble chitosan and one of the flavonoids, quercetin, was investigated by Ultra-violet and visible spectroscopy. The unit molar ratio of chitosan to quercetin was changed in a series of tests, and the quantum chemistry methods, Closed-shell Restricted Hartree-Fock (RHF) theory and Configuration Interaction Singlet (CIS) theory, were applied to compute the resonant structures of quercetin molecule. The results showed that. the quercetin as quinone configuration in solution could be tautomerized into. benzoyl configuration through hydrogen. bonding with the added chitosan. This effect was strengthened linearly with the increase of unit molar concentration of chitosan and interaction time.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2003年第4期614-618,共5页
Acta Chimica Sinica
基金
国家自然科学基金 (No.2 0 1 740 1 8)
