Hegade Ravindra Suryakant, De Beer Maarten, Lynen Frederic
Separation Science Group, Department of Organic and Macromolecular Chemistry, Faculty of Sciences, Ghent University, Krijgslaan 281-S4 Bis, B-9000 Ghent, Belgium.
AmatsiSEPS, Technologiepark 4, B-9052 Ghent, Belgium.
J Chromatogr A. 2017 Sep 15;1515:109-117. doi: 10.1016/j.chroma.2017.07.078. Epub 2017 Aug 2.
Chiral Stationary-Phase Optimized Selectivity Liquid Chromatography (SOSLC) is proposed as a tool to optimally separate mixtures of enantiomers on a set of commercially available coupled chiral columns. This approach allows for the prediction of the separation profiles on any possible combination of the chiral stationary phases based on a limited number of preliminary analyses, followed by automated selection of the optimal column combination. Both the isocratic and gradient SOSLC approach were implemented for prediction of the retention times for a mixture of 4 chiral pairs on all possible combinations of the 5 commercial chiral columns. Predictions in isocratic and gradient mode were performed with a commercially available and with an in-house developed Microsoft visual basic algorithm, respectively. Optimal predictions in the isocratic mode required the coupling of 4 columns whereby relative deviations between the predicted and experimental retention times ranged between 2 and 7%. Gradient predictions led to the coupling of 3 chiral columns allowing baseline separation of all solutes, whereby differences between predictions and experiments ranged between 0 and 12%. The methodology is a novel tool allowing optimizing the separation of mixtures of optical isomers.
手性固定相优化选择性液相色谱法（SOSLC）被提议作为一种工具，用于在一组市售的联用手性柱上对映体混合物的最佳分离。这种方法允许基于有限数量的初步分析，预测手性固定相任何可能组合上的分离图谱，随后自动选择最佳柱组合。等度和梯度SOSLC方法均被用于预测5种商用手性柱所有可能组合上4对手性对混合物的保留时间。等度和梯度模式下的预测分别使用市售算法和内部开发的Microsoft可视化基本算法进行。等度模式下的最佳预测需要4根柱的联用，预测保留时间与实验保留时间之间的相对偏差在2%至7%之间。梯度预测导致3根手性柱的联用，可实现所有溶质的基线分离，预测值与实验值之间的差异在0%至12%之间。该方法是一种优化旋光异构体混合物分离的新工具。
