三种长春碱类化合物的反相高效液相色谱同时测定及其定量构效关系的研究  

Simultaneous Determination of Three Vinblastines by Reversed Phase High Performance Liquid Chromatography and Quantitative Structure Property Relationship Research

作　　者：何文英[1] 司宏宗[2] 舒火明[3] 史载锋[1] 刘炜[1] 

机构地区：[1]海南师范大学化学化工学院,海南海口571158 [2]青岛大学计算科学与工程技术研究中心,山东青岛266071 [3]海南经贸职业技术学院,海南海口571127

出　　处：《分析科学学报》2012年第2期269-272,共4页Journal of Analytical Science

基　　金：海南省自然科学基金(No.209006)

摘　　要：本文在模拟植物生理浓度条件下,建立了反相-高效液相色谱(RP-HPLC)同时测定文多灵碱、酒石酸长春质碱和硫酸长春碱3种生物碱的方法;在此基础上,用启发式计算法(Heuristic Method,HM)筛选出与量子化学相关的3个描述符参数,应用多元线性回归方法建立了23种生物碱类化合物对保留时间值的定量结构-性质关系(Quan-titative Structure-Property relationship,QSPR)模型,模型的相关系数R2为0.9160,F值为69.08,s2方差为47.7217,结果表明此模型具有比较好的预测能力。In this paper,a reversed phase high performance liquid chromatographic（RP-HPLC） method for the simultaneous determination of vindoline,catharanthine tartrate and vinblastine sulfate was established under simulated physiological concentration condition.Based on the determination,three descriptors such as average complementary information content,min exchange energy for a C-O bond and HACA-2[Quantum-Chemical PC] by heuristic method（HM） were screened.The multiple linear regressions were used to construct linear models of 23 alkaloids and their retention time values.The model of quantitative structure-property relationships（QSPR） was developed to predict the retention time values of these alkaloids（including the three vinblastines） via HM.The result indicated that the model had a good prediction capability.The proposed method provides an important support and is useful for the prediction of the separation parameter of alkaloids for drug screening.

关 键 词：长春碱化合物 高效液相色谱法 生物碱 启发式计算法 

分 类 号：O657.72[理学—分析化学]