4.7 Article

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

期刊

CARBOHYDRATE POLYMERS
卷 89, 期 2, 页码 492-496

出版社

ELSEVIER SCI LTD
DOI: 10.1016/j.carbpol.2012.03.033

关键词

Astaxanthin; Hydroxypropyl-beta-cyclodextrin; Inclusion complex; Structure; Molecular modeling

资金

  1. National Science & Technology Pillar Program during the Eleventh Five-year Plan Period [2006BAD27B06]

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The structure and complex mode of the inclusion complex of astaxanthin with hydroxypropyl-beta-cyclodextrin (HPCD) were investigated by UV, FTIR, H-1 NMR and molecular modeling test. UV, FTIR and H-1 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 Delta E value, -30.57 kcal/mol, two hexatomic ring ends of one astaxanthin molecule inserted into two HPCD cavities respectively, and that should be the most predominant configuration. (C) 2012 Elsevier Ltd. All rights reserved.

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