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Usage Statistics Cite this paper as: Antelo, .; Álvarez Alcalde, M.; Jover, A.; Meijide, F.; Vázquez Tato, J. Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen. In Proceedings of the 13th Int. Electron. Conf. Synth. Org. Chem., 1-30 November 2009; Sciforum Electronic Conferences Series, 2009, f008:1-6.
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13th Int. Electron. Conf. Synth. Org. Chem. 2009, f008:1-6
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Theoretical calculations on conformations of bile-acid based dimers. Interactions with ibuprofen
Departamento de Química Física, Facultad de Ciencias, Universidad de Santiago de Compostela, Avda. Alfonso X El Sabio s/n, 27002 Lugo, Spain;
(This article belongs to the section F. Polymer and Supramolecular Chemistry)
Abstract: An AM1 semiempirical method (Gaussian 03) was used to perform molecular structure optimizations in gas phase of two tail-to-tail bile acid-based dimers by an isophthalic acid bridge. The method was also used to study the interactions with the potential guest ibuprofen with the idea of applicative results.
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