Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/61945
Título : Synthetic hosts for molecular recognition of ureas
Autor : Santa María, Dolores, Farrán, M. Ángeles, García, M. Ángeles, Pinilla, Elena, Torres, M. Rosario, Elguero, José, Claramunt, Rosa M.
Fecha de publicación : 2011
Editor: American Chemical Society
Citación : Journal of Organic Chemistry 76 : 6780- 6788 (2011)
Resumen: Four hosts (7-10) containing 2,6-bisamidopyridine- and 2,5-bisamidopyrrole- bearing pyridyl or 1,8-naphthyridyl groups have been prepared and their structures studied by a combination of multinuclear NMR spectroscopy and X-ray crystallography. Their behavior in molecular recognition of urea derivatives, including (+)-biotin methyl ester, has been approached by molecular modeling (Monte Carlo conformational search, AMBER force field). The minimum energy values for the complexes are correlated with the experimental binding energies determined by means of 1H NMR titrations. © 2011 American Chemical Society.
URI : http://hdl.handle.net/10261/61945
Identificadores: doi: 10.1021/jo201191x
issn: 0022-3263
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