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通过对文献中中性化合物在胶束毛细管电泳中保留指数的构效定量关系的研究,获得以下的结果:阴离子表面活性剂SDS胶束毛细电泳下的保留指数与反相色谱保留值logk_w和正辛醇/水分配系数logP有良好的线性关系,但阳离子表面活性剂CTAB和DTAB胶束毛细管电泳下的保留指数无此良好的线性相关性。阴、阳离子表面活性剂胶束毛细管电泳下的保留指数与溶剂化结构参数有良好的定量关系,溶质的保留指数主要由溶质的分子体积和氢键作用力所决定。溶质分子体积对保留指数的贡献与表面活性剂的性质无关,但氢键作用对保留指数的贡献与表面活性剂的性质有很大的相关性。不同类的表面活性剂对极性化合物的胶束毛细管电泳的分离提供了不同的分离选择性。
The following results were obtained by investigating the QSARs of the retention index of neutral compounds in micellar capillary electrophoresis in the literature: retention index and reversed phase chromatographic retention values logk_w and n Alcohol / water partition coefficient logP has a good linear relationship, but the cationic surfactant CTAB and DTAB micellar capillary electrophoresis retention index without this good linear correlation. The retention index of anionic and cationic surfactant micelles capillary electrophoresis has a good quantitative relationship with solvated structure parameters. The solute retention index is mainly determined by the molecular volume of solute and the hydrogen bonding force. The contribution of solute molecular volume to the retention index has nothing to do with the nature of the surfactant, but the contribution of hydrogen bonding to the retention index is strongly correlated with the nature of the surfactant. Different classes of surfactants provide different separation selectivity for the separation of polar compounds by micellar capillary electrophoresis.