在超临界二氧化碳+辅溶剂中的尼罗丁尼化单水合溶性:测量和建模
Seyed Ali Sajadian1, Adel Noubigh2, Mahshid Askarizadeh3
1Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan, 87317-53153, Iran. seyedali.sajadian@gmail.com.
Scientific reports
|October 5, 2025
概括
这项研究测量了尼罗丁尼化单水合物在超临界CO2与乙醇中的溶解度. 乙醇显著提高了溶解度,在338K和12MPa时观察到峰值溶解度.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 制药科学 制药科学
- 热力学是一种热力学.
背景情况:
- 尼罗丁尼化单水化合物是一种用于治疗慢性髓性白血病的氨酸激酶抑制剂.
- 超临界流体,特别是二氧化碳,为制药应用提供环保和可调节的溶剂特性.
- 了解药物在超临界CO2中的溶解度对于开发高效的净化和配方工艺至关重要.
研究的目的:
- 用乙醇作为辅溶剂在超临界二氧化碳 (scCO2) 中确定尼罗丁尼化单的溶解度.
- 用半经验和经验模型分析实验溶解度数据.
- 评估温度,压力和辅溶剂度对药物溶解性的影响.
主要方法:
- 溶解度测量是在308K至338K的温度和12MPa至30MPa的压力下在可变体积视图单元中进行的.
- 乙醇被用作辅溶剂,以提高尼罗丁尼化单酸盐在scCO2.2中的可溶性.
- 使用半经验和经验方法建模实验数据,用平均绝对相对偏差 (AARD%) 评估模型性能.
主要成果:
- 在三元系统中,尼罗丁尼化单的溶解度值在摩尔基础上从1.08 × 10−5到4.15 × 10−4 (10.8到415 PPM) 之间.
- 随着添加乙醇,溶解度显著增加,显示出协同效应.
- 观察到338K和12MPa的峰值溶解度,大约是scCO2单独的10.8倍.
- MST (马蒂亚斯-索纳塔格-茨诺波洛斯) 模型提供了最适合实验数据的模型,该模型以最低的AARD%表示.
结论:
- 乙醇是一种有效的辅溶剂,可提高尼罗丁尼化单在超临界二氧化碳中的可溶性.
- 开发的可溶性数据和模型可以帮助设计基于超临界流体的尼罗丁尼化单酸盐工艺.
- 进一步的研究可以探索其他辅溶剂或过程条件,以优化药物的溶解性和加工.
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