Experimental analysis and modeling of aprepitant (an antiemetic drug for chemotherapy) solubility in subcritical water with/without co-solvent

IF 3.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Journal of Supercritical Fluids Pub Date : 2024-07-18 DOI:10.1016/j.supflu.2024.106356
Hadi Share Mohammadi, Ali Haghighi Asl, Maryam Khajenoori
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Abstract

This action described the experimental equilibrium solubility of aprepitant (APT), an antiemetic drug for chemotherapy, in subcritical water (SW) with/without ethanol as co-solvent, acquired through a static method between 298.15 and 393.15 K and 0–15 % (w/w) of ethanol and the constant pressure of 10 bar. The mole fraction of APT was obtained in the range of 0.39×10−4 to 9.10×10−4 while its mole fraction by cosolvent varied from 0.75×10−4 to 22.98×10−4. The obtained results represented the significant effect of solvent temperature on the solubility of APT. For both studied systems, the solubility data was successfully correlated with two well-known semi-empirical temperature-based models, namely the linear and modified Apelblat models. Results from applying statistical criteria exhibited that the modified Apelblat model had the highest accordance with experimental data. Finally, using the obtained correlation results, the apparent thermodynamic analysis including enthalpy, entropy, and Gibbs free energy of dissolution for APT dissolved in SW was obtained.

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阿瑞匹坦(一种用于化疗的止吐药)在有/无助溶剂的亚临界水中溶解度的实验分析和建模
该研究描述了化疗止吐药阿瑞匹坦(APT)在有/无乙醇作为助溶剂的亚临界水(SW)中的实验平衡溶解度,该溶解度是通过静态法在 298.15 至 393.15 K 和 0-15 %(w/w)乙醇以及 10 bar 恒压条件下获得的。APT 的摩尔分数范围为 0.39×10 至 9.10×10,而共溶剂的摩尔分数范围为 0.75×10 至 22.98×10。所得结果表明,溶剂温度对 APT 的溶解度有显著影响。对于所研究的两种体系,溶解度数据都成功地与两种著名的基于温度的半经验模型(即线性模型和修正的阿佩尔布拉特模型)相关联。应用统计标准得出的结果表明,修正的 Apelblat 模型与实验数据的吻合度最高。最后,利用所获得的相关结果,得到了溶解在 SW 中的 APT 的表观热力学分析,包括焓、熵和溶解吉布斯自由能。
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来源期刊
Journal of Supercritical Fluids
Journal of Supercritical Fluids 工程技术-工程:化工
CiteScore
7.60
自引率
10.30%
发文量
236
审稿时长
56 days
期刊介绍: The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics. Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.
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