饱和醇在不同固定相上的气相色谱保留行为与结构的相关性  

Studies on quantitative structure-retention relationships for saturated alcohols on diverse stationary phases

作　　者：高礼久[1] 秦正龙[1] 

机构地区：[1]徐州师范大学化学化工学院,江苏徐州221116

出　　处：《福州大学学报（自然科学版）》2009年第1期125-127,共3页Journal of Fuzhou University(Natural Science Edition)

基　　金：江苏省自然科学基金资助项目(05KJD150221);徐州师范大学自然科学基金资助项目(06XLA08)

摘　　要：应用nT指数及结构参数P与饱和醇在6种不同固定相上的气相色谱保留指数I进行关联,用多元线性回归方法建立了相应的定量结构-色谱保留模型,它们的相关系数均大于0.99,估算值与实验值很好吻合,并用Jackknife方法对模型的稳健性进行了检验.结果表明,所建QSRR模型相关性高,稳定性好,预测能力强.A novel topological index n T and the structural parameter P have been defined. Furthermore quantitative structure - retention relationships （QSRR） between nT （O^T, 1^T）, p and gas chromatographic retention indices of saturated alcohols on six different stationary phases are generated by multiple linear regression method. All the correlation coefficients are larger 0.99. The calculated values are well consistent with the observed ones. A modified Jackknife＇s test is performed to validate the model robustness. It has been demonstrated that the QSRR models have good stability and predictability.

关 键 词：拓扑指数 饱和醇 气相色谱 定量结构-保留相关性 

分 类 号：O658[理学—分析化学]