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Updated: Jun 27, 2026

Preparation and In Vitro Characterization of Dendrimer-based Contrast Agents for Magnetic Resonance Imaging
Published on: December 4, 2016
NMR spectroscopic characterization of inclusion complexes comprising cyclodextrins and gallated catechins in aqueous
Takashi Ishizu1, Hiroyuki Tsutsumi, Hideji Yamamoto
1Faculty of Pharmacy and Pharmaceutical Sciences, Fukuyama University, Sanzo Gakuen-cho 1, Fukuyama, Hiroshima 729-0292, Japan. ishizu@fupharm.fukuyama-u.ac.jp
Abstract:
The structure of inclusion complexes of gamma-cyclodextrin (gamma-CD), (-)-gallocatechin gallate (GCg), and (-)-epigallocatechin gallate (EGCg) in D(2)O was investigated using several NMR techniques. GCg formed a 1:1 inclusion complex with gamma-CD in which the A and C rings of GCg were inserted deep at the head of the A ring into the gamma-CD cavity from the wide secondary hydroxyl group side. In the 1:1 inclusion complex with GCg and gamma-CD, the GCg moiety maintained a conformation in which the B and B' rings of GCg took both pseudoequatorial positions with respect to the C ring. The structure of the inclusion complex of GCg and gamma-CD obtained from NMR experiments supported well that determined from PM6 semiempirical SCF MO calculations. However, (1)H NMR experiments suggested that EGCg did not form any inclusion complex with gamma-CD in D(2)O. The marked difference between GCg and EGCg in inclusion behavior toward gamma-CD may be explained in terms of the stabilization energy calculated with the PM6 method. .
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