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Measurement and modeling of solubility of gliclazide (hypoglycemic drug) and captopril (antihypertension drug) in supercritical carbon dioxide
The Journal of Supercritical Fluids ( IF 3.4 ) Pub Date : 2021-04-06 , DOI: 10.1016/j.supflu.2021.105244
Shin-Wei Wang , Shih-Yu Chang , Chieh-Ming Hsieh

The solubility of drugs in supercritical carbon dioxide (ScCO2) is crucial information for crystal engineering designs and pharmaceutical applications. A semi-flow apparatus was used to measure the solubility of gliclazide and captopril in ScCO2 at 308.2 K, 318.2 K, and 328.2 K within the pressure range of 10.0–18.6 MPa. The newly measured solubility data were correlated and confirmed to be self-consistency with four semi-empirical correlation models: Chrastil, Méndez-Santiago & Teja (MST), Bartle, and Kumar & Johnston (K-J). The newly measured data were then used to evaluate the accuracy of three approaches based on the Peng-Robinson equation of state (PR EOS). PR EOS combining with the Wilson model through the Wong-Sandler mixing rule with two adjustable parameters shown excellent fit with experimental data, while PR EOS combining with the COSMO-SAC model through the MHV1 mixing rule provided reasonable solubility prediction without adjustable parameters.



中文翻译:

格列齐特(降糖药)和卡托普利(抗高血压药)在超临界二氧化碳中的溶解度测量和建模

药物在超临界二氧化碳(ScCO 2)中的溶解度对于晶体工程设计和药物应用至关重要。使用半流动装置测量格列齐特和卡托普利在ScCO 2中的溶解度在10.0-18.6 MPa的压力范围内,最大压力为308.2 K,318.2 K和328.2K。将新测得的溶解度数据与四个半经验相关模型进行关联,并确认它们是自洽的:Chrastil,Méndez-Santiago&Teja(MST),Bartle和Kumar&Johnston(KJ)。然后,将新测量的数据用于基于Peng-Robinson状态方程(PR EOS)的三种方法的准确性评估。PR EOS通过具有两个可调参数的Wong-Sandler混合规则与Wilson模型结合,显示出与实验数据的极佳拟合,而PR EOS通过MHV1混合规则与COSMO-SAC模型结合,提供了无可调参数的合理溶解度预测。

更新日期:2021-04-22
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