Details
| Original language | English |
|---|---|
| Pages (from-to) | 2920-2923 |
| Number of pages | 4 |
| Journal | Chemical communications |
| Volume | 52 |
| Issue number | 14 |
| Publication status | Published - 1 Jan 2016 |
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.
ASJC Scopus subject areas
- Chemical Engineering(all)
- Catalysis
- Materials Science(all)
- Electronic, Optical and Magnetic Materials
- Materials Science(all)
- Ceramics and Composites
- Chemistry(all)
- General Chemistry
- Materials Science(all)
- Surfaces, Coatings and Films
- Materials Science(all)
- Metals and Alloys
- Materials Science(all)
- Materials Chemistry
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In: Chemical communications, Vol. 52, No. 14, 01.01.2016, p. 2920-2923.
Research output: Contribution to journal › Article › Research › peer review
}
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 - 2016/1/1
Y1 - 2016/1/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84957999087&partnerID=8YFLogxK
U2 - 10.1039/c5cc10509a
DO - 10.1039/c5cc10509a
M3 - Article
C2 - 26790978
AN - SCOPUS:84957999087
VL - 52
SP - 2920
EP - 2923
JO - Chemical communications
JF - Chemical communications
SN - 1359-7345
IS - 14
ER -