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A new correlative model to simulate the solubility of drugs in mono-solvent systems at various temperatures
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2021-09-23 , DOI: 10.1016/j.molliq.2021.117587
Abolghasem Jouyban 1, 2 , Elaheh Rahimpour 1, 3 , Zahra Karimzadeh 4, 5
Affiliation  

A simple model is proposed for correlating the solubility of a given drug in different mono-solvents at various temperatures. The model is based on the well-known van’t Hoff equation and employs a combination of Abraham, Hansen and Catalan parameters as variables representing the drug-solvent interactions in the solutions. The proposed model correlates the solubility of each drug in different mono-solvents at various temperatures. The accuracy of the model for correlating the data was investigated by calculating the mean percentage deviation of the back-calculated data and the corresponding experimental values. Thirty solubility data sets were collected randomly from the recently published articles. The obtained results are promising and the novel model could be recommended for further investigations.



中文翻译:

一种新的相关模型,用于模拟不同温度下药物在单溶剂系统中的溶解度

提出了一个简单的模型来关联给定药物在不同温度下在不同单溶剂中的溶解度。该模型基于著名的 van't Hoff 方程,并结合使用 Abraham、Hansen 和 Catalan 参数作为代表溶液中药物-溶剂相互作用的变量。所提出的模型将每种药物在不同温度下在不同单溶剂中的溶解度相关联。通过计算反向计算数据和相应实验值的平均百分比偏差来研究用于关联数据的模型的准确性。从最近发表的文章中随机收集了 30 组溶解度数据。获得的结果很有希望,可以推荐新模型进行进一步研究。

更新日期:2021-09-28
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