Quang C, Strasters J K, Khaledi M G
Department of Chemistry, North Carolina State University, Raleigh 27695.
Anal Chem. 1994 May 15;66(10):1646-53. doi: 10.1021/ac00082a008.
Previously, the use of phenomenological models to describe the migration behavior of acidic solutes in micellar electrokinetic chromatography (MEKC) was reported. In this paper, the phenomenological approach is further extended by including both acidic and basic solutes and simultaneously taking two important experimental factors (pH and micelle concentration) into consideration. In addition, a general method is described to model the migration behavior of ionizable (both acidic and basic) solutes in MEKC with anionic and cationic micelles. The practical implication of the phenomenological approaches is that they will provide quantitative relationships between solute migration and experimental factors such that the migration behavior can be predicted on the basis of a few initial experiments and that physicochemical parameters of solutes can also be estimated from model fitting. Through computer-assisted modeling, migration behavior of several acidic and basic solutes over a pH-micelle concentration factor space was successfully predicted on the basis of only five experiments. Furthermore, this phenomenological approach was used to predict the separation of a group of aromatic amines in MEKC with anionic micelles, which resulted in a successful separation of 18 aromatic amines in less than 15 min.
此前，已有报道使用现象学模型来描述酸性溶质在胶束电动色谱（MEKC）中的迁移行为。在本文中，通过纳入酸性和碱性溶质并同时考虑两个重要的实验因素（pH值和胶束浓度），现象学方法得到了进一步扩展。此外，还描述了一种通用方法，用于模拟可电离（酸性和碱性）溶质在含有阴离子和阳离子胶束的MEKC中的迁移行为。现象学方法的实际意义在于，它们将提供溶质迁移与实验因素之间的定量关系，从而可以根据一些初始实验预测迁移行为，并且还可以通过模型拟合估计溶质的物理化学参数。通过计算机辅助建模，仅基于五个实验就成功预测了几种酸性和碱性溶质在pH - 胶束浓度因子空间上的迁移行为。此外，这种现象学方法被用于预测在含有阴离子胶束的MEKC中一组芳香胺的分离，结果在不到15分钟的时间内成功分离了18种芳香胺。
