Conformational choice and selectivity in singly and multiply hydrated monosaccharides in the gas phase.

Chemistry : a European Journal
Emilio J CocineroJohn P Simons

Abstract

Factors governing hydration, regioselectivity and conformational choice in hydrated carbohydrates have been examined by determining and reviewing the structures of a systematically varied set of singly and multiply hydrated monosaccharide complexes in the gas phase. This has been achieved through a combination of experiments, including infrared ion-depletion spectroscopy conducted in a supersonic jet expansion, and computation through molecular mechanics, density functional theory (DFT) and ab initio calculations. New spectroscopic and/or computational results obtained for the singly hydrated complexes of phenyl beta-D-mannopyranoside (beta-D-PhMan), methyl alpha-D-gluco- and alpha-D-galactopyranoside (alpha-D-MeGlc and alpha-D-MeGal), when coupled with those reported earlier for the singly hydrated complexes of alpha-D-PhMan, beta-D-PhGlc and beta-D-PhGal, have created a comprehensive data set, which reveals a systematic pattern of conformational preference and binding site selectivity, driven by the provision of optimal, co-operative hydrogen-bonded networks in the hydrated sugars. Their control of conformational choice and structure has been further revealed through spectroscopic and/or computational investigations of a seri...Continue Reading

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Citations

Sep 29, 2011·Journal of the American Society for Mass Spectrometry·Henryk Wincel
Dec 22, 2009·Physical Chemistry Chemical Physics : PCCP·Edurne AguadoFernando Castaño
Oct 25, 2014·Chemical Reviews·Shridhar R GadreNityananda Sahu
Oct 1, 2011·The Journal of Physical Chemistry. a·R ParthasarathiS Gnanakaran
May 9, 2012·The Journal of Physical Chemistry. a·Lin JinR Benny Gerber
Jun 3, 2011·The Journal of Physical Chemistry. a·Madeleine PincuJohn P Simons
Jan 26, 2013·Journal of the American Chemical Society·Emilio J CocineroFernando Castaño
Aug 12, 2014·The Journal of Physical Chemistry. a·Marek Szczepaniak, Jerzy Moc
Jan 16, 2016·Physical Chemistry Chemical Physics : PCCP·Iciar UriarteEmilio J Cocinero
Aug 22, 2017·Physical Chemistry Chemical Physics : PCCP·Zhen Zeng, Elliot R Bernstein
May 17, 2013·Physical Chemistry Chemical Physics : PCCP·Tapta Kanchan Roy, R Benny Gerber
Jul 18, 2018·Beilstein Journal of Organic Chemistry·Julia HainThisbe K Lindhorst
May 7, 2015·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Luis Miguel AzofraJuan Jesús López-González
Sep 29, 2011·Physical Chemistry Chemical Physics : PCCP·Nitzan MayorkasJohn P Simons
Mar 4, 2020·ACS Central Science·Camilla CalabreseEmilio J Cocinero
May 30, 2019·The Journal of Physical Chemistry Letters·Camilla CalabreseEmilio J Cocinero
Jun 13, 2020·Journal of the American Chemical Society·Qiuhan LiEric N Jacobsen

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