Journal of Molecular Liquids ( IF 6 ) Pub Date : 2018-01-08 , DOI: 10.1016/j.molliq.2018.01.033 Abolghasem Jouyban , Sara Nozohouri , Fleming Martinez
The objective of the present investigation is to study the effect of a cosolvent (2-propanol) on the solubility of celecoxib at different temperatures. The measured solubility data using the shake-flask method was correlated/predicted by cosolvency and thermodynamic models. The solubility of celecoxib is increased with the addition of 2-propanol to the aqueous solutions and increased temperature leads to enhance the solubility of celecoxib in a given solvent composition and reaches a maximum value in neat 2-propanol. The results show that 2-propanol is an adequate solubilizing agent for celecoxib. The developed cosolvency and thermodynamic models i.e. Jouyban-Acree and van't Hoff models are capable to predict the solubility of celecoxib in different fractions of {2-propanol + water} solvent mixtures at various temperatures. Furthermore, apparent thermodynamic quantities of the dissolution processes were calculated by using the Gibbs and van't Hoff equations, as well as the preferential solvation of the drug, which was calculated based on the Inverse Kirkwood-Buff integrals method.
中文翻译:
塞来昔布在{2-丙醇(1)+水(2)}混合物中在不同温度下的溶解度:实验数据和热力学分析
本研究的目的是研究助溶剂(2-丙醇)在不同温度下对塞来昔布溶解度的影响。使用摇瓶法测得的溶解度数据通过共溶模型和热力学模型进行关联/预测。在水溶液中添加2-丙醇后,塞来昔布的溶解度增加,温度升高会提高塞来昔布在给定溶剂组成中的溶解度,并在纯净的2-丙醇中达到最大值。结果表明2-丙醇是塞来昔布的适当增溶剂。已开发的共溶剂和热力学模型(即Jouyban-Acree和van't Hoff模型)能够预测celecoxib在{2-丙醇+水}溶剂混合物的不同馏分中在不同温度下的溶解度。此外,