烷基吡啶类化合物的气相色谱保留指数与其结构的相关性研究

摘要

文章选取意义明确的结构参数,运用数理统计方法,构建了烷基吡啶类化合物在两种不同极性固定相（SE-30和PEG-351）上的气相色谱保留指数与结构相关的QSRR模型,运用遗传函数近似法得到的QSRR方程具有高度的相关性。根据建立的QSRR方程探讨了化合物在不同极性色谱柱上的保留机理。%Selecting meaningful structural parameters,using the method of mathematical statistics,constructed QSRR model of Quantitative Structure-gas Chromatograph Retention Relationship about alkyl pyridinium compounds in two different polar stationary phase（SE-30 and PEG-351）.Using genetic function approximation method builded QSRR equation,having a high degree of correlation.Then explorated the retention mechanism of compound in different polar stationary phase.