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Rapid Water Diffusion in a Cage-Type Crystal Lattice: β-Cyclodextrin Dodecahydrate

Authors

  • Dr. Thomas Steiner,

    1. Institut für Kristallographie der Freien Universität, Takustrasse 6, D-14195 Berlin (Germany). Telefax: Int. code + (30) 838-6702
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  • Aida M. Moreira da Silva M. Sc.,

    1. Polytechnical Institute, School of AGriculture, Coimbra (Portugal)
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  • Prof. Dr. José J. C. Teixeira-Dias,

    1. Molecular Physical Chemistry, University of Coimbra (Portugal)
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  • Prof. Dr. Jörn Müller,

    1. Institut für Anorganische und Analytische Chemie der Technischen Universität Berlin (Germany)
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  • Prof. Dr. Wolfram Saenger

    Corresponding author
    1. Institut für Kristallographie der Freien Universität, Takustrasse 6, D-14195 Berlin (Germany). Telefax: Int. code + (30) 838-6702
    • Institut für Kristallographie der Freien Universität, Takustrasse 6, D-14195 Berlin (Germany). Telefax: Int. code + (30) 838-6702
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  • This study was supported by the Deutsche Forschungsgemeinschaft (Sa 196/25-1), the Fonds der Chemischen Industrie, the Deutscher Akademischer Austauschdienst (322-inida-dr), and the Junta Nacional de Investigação Científicae Tecnológica (Lisboa). T. S. is on leave from Max-Delbrück-Centrum für Molekulare Medizin, Forschungsgruppe Kristallographie, Robert-Rössle-Strasse 10, D-13122 Berlin (Germany).

Abstract

Despite the absence of water channels, H/D and Hmath imageO/Hmath imageO exchange experiments show that water molecules diffuse rapidly through the crystal lattice of β-cyclodextrin · 12H2O (CD). Exchange takes place in minutes and follows first-order kinetics. This is explained by the structural fluctuations of the β-CD molecules, which became apparent in crystallographic studies and in computer simulations.

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