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Improvement of Dispersion and Release Properties of Nifedipine in Suppositories by Complexation with 2-Hydroxypropyl-β-cyclodextrin
Authors:Katsunori Nishimura  Rie Hidaka  Fumitoshi Hirayama  Hidetoshi Arima  Kaneto Uekama
Institution:(1) Deutsches Textilforschungszentrum Nord-West e.V., Adlerstr. 1, D-47798 Krefeld, Germany;(2) Department of Applied Natural Sciences, University of Applied Sciences Gelsenkirchen, August-Schmidt-Ring 10, D-45665 Recklinghausen, Germany
Abstract:Geometries, electronic properties and NMR-shielding of cucurbit5]uril, decamethylcucurbit5]uril, cucurbit6]uril, cucurbit7]uril, and cucurbit8]uril are investigated with DFT calculations. All molecules are highly symmetrical with a distinct geometric flexibility. In addition with a characteristic partial charge distribution these findings account for their chemical complex building ability.
Keywords:B3LYP  cucurbituril  cucurbit[5]uril  cucurbit[6]uril  cucurbit[7]uril  cucurbit[8]uril  decamethylcucurbit [5]uril  DFT  GIAO  NMR
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