シクロデキストリンホストによるポルフィリン誘導体の分子カプセル化に関する実験的理論的研究

概要

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The molecular encapsulation of porphyrin derivatives having different functional groups with α-, β-, and γ-cyclodextrins (CD) in aqueous solution was investigated by spectrophotometric measurements at 25℃. The binding constants were calculated for each system imposing 1 : 1 and 1 : 2 stoichiometries. β-CD showed the highest binding constant among the three complexes. The fitness of the guest to the cavity of CD was suggested to affect the binding constant. Molecular mechanics (MM) and semiempirical molecular orbital (MO) calculations served to investigate the molecular encapsulation. The more energetically stable complexes by encapsulation with CD calculated based on MM were obtained compared with CD and porphyrin alone, respectively. The structural information about the preferred complex formation by encapsulation from the MO calculations was also obtained and the results were compared with experimental data.
山口県立大学の論文
2002-03-25