Solubility and preferential solvation of econazole nitrate in binary solvent mixtures of methanol, ethanol and 1,4-dioxane in water
Solubility and preferential solvation of econazole nitrate in binary solvent mixtures of methanol, ethanol and 1,4-dioxane in water
复制标题
DOI：
10.1016/j.jct.2017.03.038
复制
发表时间：
2017-08-01
影响因子：
2.6
通讯作者：
Zhao, Hongkun
中科院分区：
文献类型：
--
作者：
Chen, Gaoquan;Chen, Jiao;Zhao, Hongkun
采用等温溶解平衡法，在（278.15-318.15）K、101.2 kPa下，测定了硝酸益康唑在甲醇+水、乙醇+水和1，4-二氧六环+水二元混合溶剂中的溶解度。对于（1，4-二氧六环+水）体系，在一定的1，4-二氧六环组成下，硝酸益康唑的溶解度随温度的升高而增大;而在相同温度下，随着1，4-二氧六环质量分数的增加，硝酸益康唑的溶解度先增大后减小。在相同温度和质量分数的甲醇、乙醇和1，4-二氧六环中，硝酸益康唑在甲醇+水混合溶剂中的溶解度大于在其他两种混合溶剂中的溶解度。采用Jouyban-Acree模型对溶解度进行了关联，计算了溶解过程的溶解度常数。用逆Kirkwood-Buff积分法求出了硝酸益康唑的优先溶剂化参数。水的优先溶剂化参数Δ x（1，3）在富水混合物中为负值，但在甲醇摩尔分数为0.31 ~ 1.0和乙醇摩尔分数为0.24 ~ 1.0的组成中为正值。在醇和富醇混合物的中间体中，硝酸益康唑碱性位点上的甲醇/乙醇酸性氢键相互作用在药物溶剂化中起着重要作用。然而，在1，4-二氧六环（1）+水（2）的混合物中，观察到0.18 < x（1）< 0.50的正Δ x（1，3）值，但再次观察到0.50 < x1 < 1.0的负Δ x（1，3）值。在这项工作中提出的溶解度数据扩展了药物在二元水-共溶剂混合物中的理化信息。(C)2017由Elsevier Ltd.出版
The solubility of econazole nitrate in binary mixed solvents of (methanol + water, ethanol + water and 1,4-dioxane + water) were measured experimentally via the isothermal dissolution equilibrium method in the temperature range of (278.15-318.15) K under 101.2 kPa. For the (1,4-dioxane + water) system, at a certain composition of 1,4-dioxane, the solubility of econazole nitrate increased with an increase in temperature; nevertheless at the same temperature, they increased at first and then decreased with an increase in mass fraction of 1,4-dioxane. At the same temperature and mass fraction of methanol, ethanol or 1,4-dioxane, the solubility of econazole nitrate was greater in (methanol + water) than in the other two mixed solvents. The solubility values were correlated by using Jouyban-Acree model, and the dissolution enthalpies of the dissolution process were computed. Preferential solvation parameters of econazole nitrate were also derived by means of the inverse Kirkwood-Buff integrals method. The preferential solvation parameter by water delta x(1,3) is negative in water-rich mixtures but positive in compositions from 0.31 to 1.0 in mole fraction of methanol and from 0.24 to 1.0 in mole fraction of ethanol. It is conjecturable that in intermediate composition of alcohol and alcohol-rich mixtures the interaction by acidic hydrogen-bonding by methanol/ethanol on the basic sites of econazole nitrate played a relevant role in the drug solvation. However in 1,4-dioxane (1) + water (2) mixtures with 0.18 < x(1) < 0.50 positive delta x(1,3) values were observed, but with 0.50 < x1 < 1.0 negative delta x(1,3) values were observed again. The solubility data presented in this work expand the physicochemical information about drugs in binary aqueous-co-solvent mixtures. (C) 2017 Published by Elsevier Ltd.