@article{oai:fukuyama-u.repo.nii.ac.jp:00008593,
 author = {石津, 隆 and 堤, 広之 and 山本, 英二 and 原野, 一誠},
 issue = {28},
 journal = {福山大学薬学部研究年報, Annual report of the Faculty of Pharmacy & Pharmaceutical Sciences, Fukuyama University},
 month = {Dec},
 note = {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. ., 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. .},
 pages = {41--41},
 title = {水溶液中におけるシクロデキストリンとガレートカテキン類からなる包接錯体のNMR スペクトルの評価：空洞サイズの依存(発表論文抄録(2009))},
 year = {2010}
}