Clinical Pharmacology Laboratory, Institute for Infectious Diseases, University of Bern, Bern, Switzerland.
Electrophoresis. 2020 Apr;41(7-8):502-513. doi: 10.1002/elps.201900363. Epub 2019 Nov 18.
For separation of enantiomers in presence of a chiral selector, data obtained with the 1D dynamic simulators SIMUL5complex and GENTRANS are compared to data predicted by PeakMaster 6, a recently released generalized model of the linear theory of electromigration. Four electrophoretic systems with stereoisomers of weak bases were investigated. They deal with the estimation of input data for complexation together with the elucidation of the origin of observed system peaks, the interference of analyte and system peak migration, the change of enantiomer migration order as function of the selector concentration and the inversion of analyte migration direction in presence of a multiply negatively charged selector. For all systems, data predicted with PeakMaster 6 are in agreement with those of the dynamic simulators and simulation data compare well with experimental data that were monitored with setups featuring conductivity and/or UV absorbance detection along the capillary. SIMUL5complex and GENTRANS provide the full dynamics of any buffer and sample arrangement and require very long execution time intervals. PeakMaster 6 is restricted to conventional CZE, is based on an approximate solution of the transport equations, provides data for realistic experimental conditions within seconds and represents a practical tool for an experimentalist.
为了在手性选择剂存在下分离对映异构体，将 1D 动态模拟器 SIMUL5complex 和 GENTRANS 获得的数据与最近发布的线性电迁移理论广义模型 PeakMaster 6 预测的数据进行了比较。研究了四个具有弱碱性立体异构体的电泳系统。它们涉及络合的输入数据的估计以及观察到的系统峰的起源的阐明，分析物和系统峰迁移的干扰，手性迁移顺序随选择器浓度的变化以及在多带负电荷选择器存在下分析物迁移方向的反转。对于所有系统，PeakMaster 6 预测的数据与动态模拟器的数据一致，模拟数据与使用沿毛细管配备电导率和/或紫外吸收检测的装置监测的实验数据非常吻合。SIMUL5complex 和 GENTRANS 提供任何缓冲液和样品排列的完整动力学，并且需要非常长的执行时间间隔。PeakMaster 6 仅限于常规 CZE，基于传输方程的近似解，在几秒钟内提供实际实验条件的数据，并代表实验人员的实用工具。
