Subtle temperature-induced changes in small molecule conformer dynamics - observed and quantified by NOE spectroscopy.

Autor:	Jones CR; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk., Greenhalgh MD; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk., Bame JR; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk., Simpson TJ; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk., Cox RJ; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk and Leibniz Universität Hannover, Institut für Organische Chemie, Schneiderberg 1B, 30167 Hannover, Germany., Marshall JW; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk., Butts CP; School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
Jazyk:	angličtina
Zdroj:	Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2016 Feb 18; Vol. 52 (14), pp. 2920-3.
DOI:	10.1039/c5cc10509a
Abstrakt:	NOE-distance relationships are shown to be sufficiently accurate to monitor very small changes in conformer populations in response to temperature (<0.5%/10 °C) - in good agreement with Boltzmann-predictions, illustrating the effectiveness of accurate NOE-distance measurements in obtaining high quality dynamics as well as structural information for small molecules.
Databáze:	MEDLINE
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