{"title":"Experimental analysis and modeling of aprepitant (an antiemetic drug for chemotherapy) solubility in subcritical water with/without co-solvent","authors":"","doi":"10.1016/j.supflu.2024.106356","DOIUrl":null,"url":null,"abstract":"<div><p>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<sup>−4</sup> to 9.10×10<sup>−4</sup> while its mole fraction by cosolvent varied from 0.75×10<sup>−4</sup> to 22.98×10<sup>−4</sup>. 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.</p></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":null,"pages":null},"PeriodicalIF":3.4000,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Supercritical Fluids","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0896844624001918","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.