Enantioselective liquid–liquid extraction (ELLE) was adopted to separate atenolol (AT) enantiomers, where tartrate and boric acid (BA) were used as the chiral selector. Influence of process variables on extraction efficiency were studied, including type of tartaric acid derivatives, type of the organic solvent, pH of aqueous phase, molality of BA and tartaric acid derivatives, as well as temperature. A theoretical model was developed based on the mechanism research on reactive extraction of AT enantiomers by n-hexyl (L)-tartrate (LT) and BA. Important parameters of this model were determined. By modeling and experiment, the optimal conditions identified involve the LT molality of 0.0796 mol·kg^–1, BA molality of 0.1 mol·kg^–1, AT molality of 1.592 mmol·kg^–1, and pH value of 9.00 at 278 K, where the obtained enantioselectivity (α) is 1.8951 and performance factor (pf) is 0.0608.

中文翻译：

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酒石酸盐和硼酸为手性选择剂的阿替洛尔对映体单级萃取中的多个化学平衡建模

采用对映选择性液-液萃取（ELLE）分离阿替洛尔（AT）对映体，其中酒石酸盐和硼酸（BA）被用作手性选择剂。研究了工艺变量对萃取效率的影响，包括酒石酸衍生物的种类，有机溶剂的种类，水相的pH，BA和酒石酸衍生物的摩尔浓度以及温度。基于酒石酸正己酯（L）和BA对AT对映体的反应机理研究，建立了理论模型。确定了该模型的重要参数。通过建模和实验，确定的最佳条件包括LT摩尔浓度为0.0796 mol·kg ^–1，BA摩尔浓度为0.1 mol·kg ^–1，AT摩尔浓度为1.592 mmol·kg ^–1，pH值为278 K时为9.00，得到的对映选择性（α）为1.8951，性能系数（pf）为0.0608。