Inclusion complex of astaxanthin with hydroxypropyl-尾-cyclodextrin: UV, FTIR, ¹H NMR and molecular modeling studies

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• 作者：Chao Yuan^a ; ^{wheat1997@yahoo.com} ; Zhengyu Jin^b ; ^{jinlab2008@yahoo.com} ; Xueming Xu^b
• 关键词：Astaxanthin ; Hydroxypropyl-尾-cyclodextrin ; Inclusion complex ; Structure ; Molecular modeling
• 刊名：Carbohydrate Polymers
• 出版年：2012
• 期刊代码：14_01448617
• 类别：ch
• 出版时间：20 June, 2012
• 卷：89
• 期：2
• 页码：492-496
• 文件大小：520 K

摘要

The structure and complex mode of the inclusion complex of astaxanthin with hydroxypropyl-尾-cyclodextrin (HPCD) were investigated by UV, FTIR, ¹H NMR and molecular modeling test. UV, FTIR and ¹H NMR results indicated that the hexatomic ring of the astaxanthin molecules were partly included into the HPCD cavities. The implementation of molecular modeling test confirmed that the complexation could reduce the energy of the system and the complex of 2:1 host-guest stoichiometry had the lowest 螖E value, 鈭?0.57 kcal/mol, two hexatomic ring ends of one astaxanthin molecule inserted into two HPCD cavities respectively, and that should be the most predominant configuration.