Improvement of Dispersion and Release Properties of Nifedipine in Suppositoriesby Complexation with 2-Hydroxypropyl-β-cyclodextrin |
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| Authors: | Katsunori Nishimura Rie Hidaka Fumitoshi Hirayama Hidetoshi Arima Kaneto Uekama |
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| Affiliation: | (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 |
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| Abstract: | Geometries, electronic properties and NMR-shielding of cucurbit[5]uril, decamethylcucurbit[5]uril, cucurbit[6]uril, cucurbit[7]uril, and cucurbit[8]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. |
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| 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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