位阻效应
溶解度
化学
环糊精
相(物质)
立体化学
组合化学
计算化学
色谱法
有机化学
作者
Zhaohua Li,Kai Li,Manlin Teng,Mo Li,Xiaofan Sui,Bingyang Liu,Baocheng Tian,Qiang Fu
标识
DOI:10.1016/j.molliq.2022.120105
摘要
This research aimed to study the functionality-related characteristics (FRCs) of hydroxypropyl-β-cyclodextrin (HP-β-CD) for the complexation. Nine batches of HP-β-CD samples were collected for the characterizations and phase solubility studies. The correlation analysis revealed that the pH and the degree of substitution (DS), especially the DS, were critical in the complexation. Importantly, the DS-complexation correlation was dependent on the molecular weight (M.W.) of the model drugs, which was confirmed by literature databases and deeply understood by molecular modeling: with respect to the small M.W. drugs, the solubility was enhanced due to the increase in the DS in a lower range, whereas steric hindrance caused by a very high DS limited the solubilizing ability of HP-β-CD; complexations for high M.W. drugs were severely restricted by steric hindrance; thus, a lower DS was appreciated. This study provided guidance for the selection and application of HP-β-CD and contributed to coherent understanding of its FRCs.
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