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

C. R. Jones; M. D. Greenhalgh; J. R. Bame; T. J. Simpson; R. J. Cox; J. W. Marshall; C. P. Butts

doi:10.1039/c5cc10509a

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

C. R. Jones, M. D. Greenhalgh, J. R. Bame, T. J. Simpson, R. J. Cox, J. W. Marshall, C. P. Butts^*

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

15 Citations (Scopus)

297 Downloads (Pure)

Abstract

NOE–distance relationships are shown to be sufficiently accurateto monitor very small changes in conformer populations in response totemperature (<0.5%/10º8C) – in good agreement with Boltzmann-predictions,illustrating the effectiveness of accurate NOE–distancemeasurements in obtaining high quality dynamics as well as structuralinformation for small molecules.

Original language	English
Pages (from-to)	2920-2923
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	14
Early online date	15 Jan 2016
DOIs	https://doi.org/10.1039/c5cc10509a
Publication status	Published - 18 Feb 2016

Structured keywords

BCS and TECS CDTs

Access to Document

10.1039/c5cc10509a

Full-text PDF (final published version)
This is the final published version of the article (version of record). It first appeared online via Royal Society of Chemistry at DOI: 10.1039/c5cc10509a. Please refer to any applicable terms of use of the publisher.
Final published version, 1.62 MB

Handle.net

Persistent link

Cite this

@article{7b8b630b27f94b43841ed1abdce76600,

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 accurateto monitor very small changes in conformer populations in response totemperature (<0.5%/10º8C) – in good agreement with Boltzmann-predictions,illustrating the effectiveness of accurate NOE–distancemeasurements in obtaining high quality dynamics as well as structuralinformation for small molecules.",

author = "Jones, {C. R.} and Greenhalgh, {M. D.} and Bame, {J. R.} and Simpson, {T. J.} and Cox, {R. J.} and Marshall, {J. W.} and Butts, {C. P.}",

year = "2016",

month = feb,

day = "18",

doi = "10.1039/c5cc10509a",

language = "English",

volume = "52",

pages = "2920--2923",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "14",

}

TY - JOUR

T1 - Subtle temperature-induced changes in small molecule conformer dynamics-observed and quantified by NOE spectroscopy

AU - Jones, C. R.

AU - Greenhalgh, M. D.

AU - Bame, J. R.

AU - Simpson, T. J.

AU - Cox, R. J.

AU - Marshall, J. W.

AU - Butts, C. P.

PY - 2016/2/18

Y1 - 2016/2/18

N2 - NOE–distance relationships are shown to be sufficiently accurateto monitor very small changes in conformer populations in response totemperature (<0.5%/10º8C) – in good agreement with Boltzmann-predictions,illustrating the effectiveness of accurate NOE–distancemeasurements in obtaining high quality dynamics as well as structuralinformation for small molecules.

AB - NOE–distance relationships are shown to be sufficiently accurateto monitor very small changes in conformer populations in response totemperature (<0.5%/10º8C) – in good agreement with Boltzmann-predictions,illustrating the effectiveness of accurate NOE–distancemeasurements in obtaining high quality dynamics as well as structuralinformation for small molecules.

UR - http://www.scopus.com/inward/record.url?scp=84957999087&partnerID=8YFLogxK

U2 - 10.1039/c5cc10509a

DO - 10.1039/c5cc10509a

M3 - Article (Academic Journal)

C2 - 26790978

AN - SCOPUS:84957999087

SN - 1359-7345

VL - 52

SP - 2920

EP - 2923

JO - Chemical Communications

JF - Chemical Communications

IS - 14

ER -

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

Abstract

Structured keywords

Access to Document

Handle.net

Other files and links

Embargoed Document

Fingerprint

A 13C NMR Coldprobe to Underpin Chemistry Research.

A 500MHZ NMR SPECTROMETER TO UNDERPIN CHEMICAL RESEARCH AT BRISTOL

Professor Craig P Butts

Cite this

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

Abstract

Structured keywords

Access to Document

Handle.net

Other files and links

Embargoed Document

Fingerprint

Projects

A 13C NMR Coldprobe to Underpin Chemistry Research.

A 500MHZ NMR SPECTROMETER TO UNDERPIN CHEMICAL RESEARCH AT BRISTOL

Profiles

Professor Craig P Butts

Cite this