{"title":"Determination of Gefitinib hydrochloride anti-cancer drug solubility in supercritical CO2: Evaluation of sPC-SAFT EoS and semi-empirical models","authors":"Gholamhossein Sodeifian , Hamidreza Bagheri , Mohammadreza Bargestan , Nedasadat Saadati Ardestani","doi":"10.1016/j.jtice.2024.105569","DOIUrl":null,"url":null,"abstract":"<div><h3>Backgrounds</h3><p>To design the supercritical fluid processes for micro or nanosizing of solid solute components such as drugs, it is necessary to determine their solubility in solvents like supercritical carbon dioxide (SC<img>CO<sub>2</sub>). This important task is the first step for evaluating the process needed in supercritical fluid technology.</p></div><div><h3>Methods</h3><p>A statistical method was developed and used to determine the solubility of <em>Gefitinib hydrochloride</em>. The solubility measurements at various pressures and temperatures were conducted using UV–vis analysis. This research presents the equilibrium solubility of <em>Gefitinib hydrochloride</em> in SC<img>CO<sub>2</sub> at temperatures and pressures ranging from 308 to 338 K and 120 to 270 bar, for the first time.</p></div><div><h3>Significant Findings</h3><p>The results indicated that the solubility of <em>Gefitinib hydrochloride</em> varied between (0.106–0.984) × 10<sup>−4</sup>. The <em>Gefitinib hydrochloride</em> mole fraction at constant temperature, increases with an increase in pressure. Meanwhile, a crossover point was observed. The solubility behavior was determined by the sPC-SAFT EoS and seven semi-empirical correlations. Both models have shown satisfactory agreements with the experimental data with AARD% of 9.86% and 7.46%. for the sPC-SAFT EoS and the Chrastil, respectively. Finally, the total, solvation, and vaporization enthalpies of the <em>drug</em>/SC<img>CO<sub>2</sub> binary system were determined using semi-empirical correlations, for the first time.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":null,"pages":null},"PeriodicalIF":5.5000,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Taiwan Institute of Chemical Engineers","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S187610702400227X","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Backgrounds
To design the supercritical fluid processes for micro or nanosizing of solid solute components such as drugs, it is necessary to determine their solubility in solvents like supercritical carbon dioxide (SCCO2). This important task is the first step for evaluating the process needed in supercritical fluid technology.
Methods
A statistical method was developed and used to determine the solubility of Gefitinib hydrochloride. The solubility measurements at various pressures and temperatures were conducted using UV–vis analysis. This research presents the equilibrium solubility of Gefitinib hydrochloride in SCCO2 at temperatures and pressures ranging from 308 to 338 K and 120 to 270 bar, for the first time.
Significant Findings
The results indicated that the solubility of Gefitinib hydrochloride varied between (0.106–0.984) × 10−4. The Gefitinib hydrochloride mole fraction at constant temperature, increases with an increase in pressure. Meanwhile, a crossover point was observed. The solubility behavior was determined by the sPC-SAFT EoS and seven semi-empirical correlations. Both models have shown satisfactory agreements with the experimental data with AARD% of 9.86% and 7.46%. for the sPC-SAFT EoS and the Chrastil, respectively. Finally, the total, solvation, and vaporization enthalpies of the drug/SCCO2 binary system were determined using semi-empirical correlations, for the first time.
期刊介绍:
Journal of the Taiwan Institute of Chemical Engineers (formerly known as Journal of the Chinese Institute of Chemical Engineers) publishes original works, from fundamental principles to practical applications, in the broad field of chemical engineering with special focus on three aspects: Chemical and Biomolecular Science and Technology, Energy and Environmental Science and Technology, and Materials Science and Technology. Authors should choose for their manuscript an appropriate aspect section and a few related classifications when submitting to the journal online.