Simulation of the retention factors on multiple columns in series in supercritical fluid chromatography: enantioseparation of warfarin as a simple model

IF 3.8 2区化学 Q1 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography A Pub Date : 2025-04-04 DOI:10.1016/j.chroma.2025.465945

Maï Serein-Grosjean , Ruth Massounga , Augustin Lipka , David Speybrouck , Emmanuelle Lipka

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引用次数: 0

Abstract

Chirality plays a crucial role in the physical and biological properties of molecules, making the separation of stereoisomers an important and challenging research focus. In this context, supercritical fluid chromatography (SFC), using supercritical carbon dioxide as the primary mobile phase, offers high throughput, environmental friendliness, and improved resolution, especially when multiple columns are coupled to increase separation efficiency and selectivity.

Despite advances, chiral separations are often based on trial and error and require rationalization. This study applies a mathematical model to multi-column systems to predict the retention behavior of warfarin enantiomers. Retention factor, retention time, and selectivity were calculated and experimentally determined on two, three, and four columns coupled in series. The relative deviation for retention time determination ranged from 0.68 to 7.29 % and for selectivity from 0.00 to 4.28 %.

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超临界流体色谱中多柱串联保留因子的模拟：华法林对映体分离的简单模型

手性在分子的物理和生物特性中起着至关重要的作用，因此立体异构体的分离成为一项重要而具有挑战性的研究重点。在此背景下，以超临界二氧化碳为主要流动相的超临界流体色谱（SFC）具有高通量、环境友好和更高分辨率的特点，尤其是当多柱联用以提高分离效率和选择性时。本研究将数学模型应用于多柱系统，以预测华法林对映体的保留行为。通过计算和实验测定了串联的两根、三根和四根色谱柱的保留因子、保留时间和选择性。保留时间测定的相对偏差为 0.68% 至 7.29%，选择性测定的相对偏差为 0.00% 至 4.28%。

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来源期刊

Journal of Chromatography A 化学-分析化学

CiteScore

7.90

自引率

14.60%

发文量

742

审稿时长

45 days

期刊介绍： The Journal of Chromatography A provides a forum for the publication of original research and critical reviews on all aspects of fundamental and applied separation science. The scope of the journal includes chromatography and related techniques, electromigration techniques (e.g. electrophoresis, electrochromatography), hyphenated and other multi-dimensional techniques, sample preparation, and detection methods such as mass spectrometry. Contributions consist mainly of research papers dealing with the theory of separation methods, instrumental developments and analytical and preparative applications of general interest.