{"title":"测定盐酸吉非替尼(Gefitinib)抗癌药物在超临界二氧化碳中的溶解度:评估 sPC-SAFT EoS 和半经验模型","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":"{\"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. 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引用次数: 0
摘要
背景要设计用于药物等固体溶质成分微粒化或纳米化的超临界流体工艺,就必须确定它们在超临界二氧化碳(SCCO2)等溶剂中的溶解度。这项重要任务是评估超临界流体技术所需工艺的第一步。方法开发了一种统计方法,用于测定盐酸吉非替尼的溶解度。使用紫外可见光分析法在不同压力和温度下进行了溶解度测量。重要发现结果表明,盐酸吉非替尼的溶解度在 (0.106-0.984) × 10-4 之间变化。在恒温条件下,盐酸吉非替尼的摩尔分数随着压力的增加而增加。同时,观察到一个交叉点。溶解度行为是通过 sPC-SAFT EoS 和七个半经验相关性确定的。这两个模型与实验数据的一致性令人满意,sPC-SAFT EoS 和 Chrastil 的 AARD% 分别为 9.86% 和 7.46%。最后,利用半经验相关性首次确定了药物/SCCO2 二元体系的总焓、溶解焓和汽化焓。
Determination of Gefitinib hydrochloride anti-cancer drug solubility in supercritical CO2: Evaluation of sPC-SAFT EoS and semi-empirical models
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.