title: Subtle temperature-induced changes in small molecule conformer dynamics - observed and quantified by NOE spectroscopy.
abstract: 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.
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: C R
authors.initials: CR
authors.lastname: Jones
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: M D
authors.initials: MD
authors.lastname: Greenhalgh
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: J R
authors.initials: JR
authors.lastname: Bame
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: T J
authors.initials: TJ
authors.lastname: Simpson
authors.affiliation: 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.
authors.forename: R J
authors.initials: RJ
authors.lastname: Cox
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: J W
authors.initials: JW
authors.lastname: Marshall
authors.affiliation: School of Chemistry, University of Bristol Cantocks Close, Bristol, BS8 1TS, UK. Craig.Butts@bristol.ac.uk.
authors.forename: C P
authors.initials: CP
authors.lastname: Butts
mesh_terms: D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D013696:Temperature