@article{oai:kanazawa-u.repo.nii.ac.jp:00007983, author = {Okumura, Hisako and Ichitani, Masaki and Takihara, Takanobu and Kunimoto, Ko-Ki}, issue = {1}, journal = {Food Science and Technology Research}, month = {Jan}, note = {The epimerization reaction of tea catechins was investigated at pH 5.5 and 120°C in the absence/presence of cyclodextrins (CDs). In the absence of CDs, a considerable quantity (∼20%) of products originating from reactions other than the epimerization ("other products") was formed during the epimerization of gallated catechins. In the case of (-)-EGCg, addition of β-CD to the reaction solution reduced the quantity of these other products to just a few percent, but other CDs with different cavity sizes had little effect. Generally, the addition of β-CD increased the ratio of non-epi type catechins, that is, [non-epi type catechin] / ([epi type catechin]+[non-epi type catechin]). Molecular orbital (MO) calculations using the PM3 method suggested that non-epi type catechins are more thermodynamically stable than their epi-type counterparts, moving the equilibrium position in favor of non-epi type catechins in the epimerization process., 金沢大学理工研究域物質化学系}, pages = {83--88}, title = {Effect of cyclodextrins on the thermal epimerization of tea catechins}, volume = {14}, year = {2008} }