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Título
Structural Expression of Exo-Anomeric Effect
Año del Documento
2016
Editorial
ACS Publications
Descripción
Producción Científica
Documento Fuente
Journal of Physical Chemistry Letters, 2016, 7, 5, 845–850
Abstract
Structural signatures for exo-anomeric effect have been extracted from the archetypal methyl-β-d-xyloside using broadband Fourier transform microwave spectroscopy combined with laser ablation. Spectrum analysis allows the determination of a set of rotational constants, which has been unequivocally attributed to conformer cc-β-4C1 g–, corresponding to the global minimum of the potential energy surface, where the aglycon residue (CH3) orientation contributes to maximization of the exo-anomeric effect. Further analysis allowed the determination of the rs structure, based on the detection of 11 isotopologues—derived from the presence of six 13C and five 18O atoms—observed in their natural abundances. The observed glycosidic C1–O1 bond length decrease (1.38 Å) can be interpreted in terms of the exo-anomeric effect. As such, the exo-anomeric effect presents itself as one of the main driving forces controlling the shape of many biologically important oligosaccharides.
Palabras Clave
Carbohydrates, Spectroscopy, Molecular structure, Laser Ablation
ISSN
1948-7185
Revisión por pares
SI
Patrocinador
Ministerio de Economı́a y Competitivida (CTQ 2013-40717-P y Consolider Ingenio 2010 CSD 2009-00038) y Junta de Castilla y León(Grant VA175U13)
Version del Editor
Propietario de los Derechos
American Chemical Society
Idioma
spa
Tipo de versión
info:eu-repo/semantics/acceptedVersion
Derechos
restrictedAccess
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“This document is the Accepted Manuscript version of a Published Work that appeared in final form in https://pubs.acs.org/doi/10.1021/acs.jpclett.6b00028 after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see ACS Articles on Request ]