布洛芬的溶解:计算和预测工具

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2023-08-25 DOI:10.1080/00319104.2023.2248543

Arshin Nemati, E. Rahimpour, A. Jouyban

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Solubilization of ibuprofen: Computational and predictive tools

ABSTRACT Herein, some trained models based on the vant’ Hoff and Jouyban-Acree model were proposed for predicting ibuprofen solubility in the mono-solvents and binary systems. The predictive models were obtained by the combination of the vant’ Hoff and Jouyban-Acree model with variables derived from the Abraham, Hansen, and Catalan parameters. The prediction power of the proposed equations was evaluated by computing the overall mean relative deviation values of the solubility data for ibuprofen in 16 mono-solvents and 17 binary mixtures and discussed. The developed equations enable the researchers to predict the solubility trend of ibuprofen in mono- and binary mixtures at different temperatures, which can be helpful in research and industrial applications.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.