Sun L, Weber S G
Department of Chemistry, University of Pittsburgh, PA 15260, USA.
J Mol Recognit. 1998 Winter;11(1-6):28-31. doi: 10.1002/(SICI)1099-1352(199812)11:1/6<28::AID-JMR385>3.0.CO;2-H.
The extraction efficiency for organic molecules using synthetic receptors is highly dependent on solvent properties. Solvent influences the partitioning of both the desired compound and the interfering species. Solvent also influences the solubility of the receptor and its affinity for the substrate. Therefore the free energy involved in extraction can be optimized by using a carefully selected solvent. In this paper we demonstrate the use of a solvatochromic model to predict the influence of solvent dipolarity, H-bond acidity and H-bond basicity on selectivity and yield of phenobarbital extraction. We also used this method to estimate the purity and yield of phenobarbital extraction in 12 poly(vinyl chloride) plasticizers and solvents. This approach can be generalized for assisting the selection of optimal solvent and provide insight into the rational design of solvent and receptor for industrial extractions.
使用合成受体提取有机分子的效率高度依赖于溶剂性质。溶剂会影响目标化合物和干扰物质的分配。溶剂还会影响受体的溶解度及其与底物的亲和力。因此，通过精心选择溶剂可以优化提取过程中涉及的自由能。在本文中，我们展示了使用溶剂化显色模型来预测溶剂偶极矩、氢键酸度和氢键碱度对苯巴比妥提取的选择性和产率的影响。我们还使用该方法估算了苯巴比妥在12种聚氯乙烯增塑剂和溶剂中的提取纯度和产率。这种方法可以推广用于辅助选择最佳溶剂，并为工业提取中溶剂和受体的合理设计提供思路。
