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Chemistry ; 16(41): 12387-97, 2010 Nov 02.
Artículo en Inglés | MEDLINE | ID: mdl-20857461

RESUMEN

A series of pyridyl guanidinium-carboxylates has been prepared and the dimeric self-assembly of these studied in H(2)O/DMSO mixtures, principally using dilution isothermal calorimetry. Compounds 5 and 6, incorporating an aromatic ring in the "tethering" region between the guanidinium and carboxylate groups, demonstrate the strongest dimerisation in neat DMSO. X-ray crystal structures of 5 and 6 reveal two different dimerisation architectures in the solid-state, but both involve carboxylate-guanidinium salt bridges as anticipated, and π-π interactions. Compounds 10-16 incorporating peptidic fragments between the guanidinium and carboxylate groups, showed reduced dimerisation strength with increased amino acid content, but also sustained dimerisation under increasingly aqueous conditions, up to 50% H(2)O/DMSO in the case of 14 and 15. The extent of our study in H(2)O/DMSO mixtures was determined by substrate solubility of 10-16, and not the limit of self-assembly.


Asunto(s)
Ácidos Carboxílicos/química , Guanidina/química , Modelos Moleculares , Piridinas/química , Solventes/química , Calorimetría , Cristalografía por Rayos X , Dimetilsulfóxido , Ésteres , Espectroscopía de Resonancia Magnética , Conformación Molecular , Estructura Molecular , Solubilidad , Tiourea/síntesis química , Tiourea/química , Agua/química
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