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Cage-shaped silsesquioxane with multiactive sites for impeding aggregation of small insoluble organic molecule

Chemical Engineering Journal(2023)

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摘要
•POSS-SH with eight active sites was selected through density functional theory.•POSS-SH inhibit molecular aggregation by increasing molecular spacing to 8.063 Å.•This method has general applicability for increasing the effectiveness of drugs.
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关键词
Supermolecular cage,Insoluble drugs,Molecular aggregation,Solubility improvement,Drug efficacy
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