Citalopram (CIT) is a frequently used modern antidepressant that inhibits selectively serotonin reuptake in the brain. It has a chiral center in its structure and is used in therapy as both racemic mixture and pure enantiomer as its pharmacological effect is almost entirely associated with S‐CIT. The aim of this study was the development of a simple and rapid capillary electrophoresis (CE) method for the separation and quantification of CIT enantiomers. To establish the optimum chiral selector, several native and derivatized, neutral, and ionized cyclodextrins (CDs) were examined at different pH levels. An experimental design strategy was adopted for method optimization; a fractional factorial design was applied for screening purposes to identify significant experimental factors followed by a face‐centered central composite design used for optimization purposes. Computational modeling was used to obtain information on the interaction energy and the geometry of the complexes to aid in the understanding of chiral separation mechanism. The best results were obtained when using a 25‐mM phosphate buffer at pH 7.0, 3‐mM CM‐β‐CD as chiral selector, 17.5°C temperature, 15‐kV voltage, and 50 mbar/s hydrodynamic injection. The separation time was fast, below 3 min, and the migration order was S‐CIT followed by R‐CIT. The analytical performance of the method was verified in terms of precision, linearity, accuracy, sensibility, and robustness, and the method was applied for the determination of CIT enantiomers from pharmaceutical preparations.

中文翻译：

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西酞普兰对映体的对映体通过毛细管电泳分离：通过实验设计和计算模型进行方法开发。

西酞普兰（CIT）是一种常用的现代抗抑郁药，可选择性抑制大脑中5-羟色胺的再摄取。它的结构具有手性中心，可作为消旋混合物和纯对映异构体用于治疗，因为其药理作用几乎与S有关‐CIT。这项研究的目的是开发一种简单快速的毛细管电泳（CE）方法，用于CIT对映体的分离和定量。为了建立最佳的手性选择剂，在不同的pH水平下检测了几种天然的和衍生的，中性和离子化的环糊精（CD）。采用实验设计策略进行方法优化。分数阶乘设计用于筛选目的，以识别重要的实验因素，然后以面心为中心的中央复合设计用于优化目的。计算模型用于获得有关相互作用能和配合物的几何形状的信息，以帮助理解手性分离机理。使用pH 7.0的25mM磷酸盐缓冲液可获得最佳结果，3‐mM CM‐β‐CD作为手性选择剂，17.5°C温度，15kV电压和50 mbar / s流体动力注入。分离时间快，在3分钟以下，迁移顺序为S‐ CIT，然后是R‐ CIT。对该方法的分析性能进行了精密度，线性，准确性，敏感性和鲁棒性的验证，并将该方法用于测定药物制剂中的CIT对映体。