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The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach

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The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach. / Wong, Alan; Hung, Ivan; Howes, Andy P.; Anupõld, Tiit; Past, Jaan; Samoson, Ago; Brown, Steven P.; Smith, Mark E.; Dupree, Ray.

In: Magnetic Resonance in Chemistry, Vol. 45, No. Supplement 1, 01.12.2007, p. S68-S72.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Wong, A, Hung, I, Howes, AP, Anupõld, T, Past, J, Samoson, A, Brown, SP, Smith, ME & Dupree, R 2007, 'The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach', Magnetic Resonance in Chemistry, vol. 45, no. Supplement 1, pp. S68-S72. https://doi.org/10.1002/mrc.2088

APA

Wong, A., Hung, I., Howes, A. P., Anupõld, T., Past, J., Samoson, A., Brown, S. P., Smith, M. E., & Dupree, R. (2007). The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach. Magnetic Resonance in Chemistry, 45(Supplement 1), S68-S72. https://doi.org/10.1002/mrc.2088

Vancouver

Wong A, Hung I, Howes AP, Anupõld T, Past J, Samoson A et al. The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach. Magnetic Resonance in Chemistry. 2007 Dec 1;45(Supplement 1):S68-S72. https://doi.org/10.1002/mrc.2088

Author

Wong, Alan ; Hung, Ivan ; Howes, Andy P. ; Anupõld, Tiit ; Past, Jaan ; Samoson, Ago ; Brown, Steven P. ; Smith, Mark E. ; Dupree, Ray. / The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach. In: Magnetic Resonance in Chemistry. 2007 ; Vol. 45, No. Supplement 1. pp. S68-S72.

Bibtex

@article{d876dfe2f8d0438888f49f4008785c58,
title = "The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach",
abstract = "The direct detection of hydroxyl oxygen (O-H) by O-17 double-rotation (DOR) NMR is very challenging because of the strong O-H dipole interaction. It is shown that deuteration of the hydroxyl site overcomes this using glycine-HCl as an illustration. Two well-separated sets of narrow (linewidth similar to 80-100 Hz) resonances with their spinning-sidebands are observed for the carboxyl and hydroxyl oxygens in the DOR spectrum of [O-17,H-2]glycine center dot HCl. The chemical shift anisotropy of these sites is obtained from a simulation of the DOR spinning-sideband intensities. The chemical shift span (Omega) for the carboxyl oxygen is found to be much larger than that of the hydroxyl oxygen, with Omega values of 540 +/- 15 and 210 +/- 10 ppm, respectively.",
keywords = "NMR, O-17, double rotation, NMR parameters, deuteration, hydroxyl oxygen, glycine",
author = "Alan Wong and Ivan Hung and Howes, {Andy P.} and Tiit Anup{\~o}ld and Jaan Past and Ago Samoson and Brown, {Steven P.} and Smith, {Mark E.} and Ray Dupree",
year = "2007",
month = dec,
day = "1",
doi = "10.1002/mrc.2088",
language = "English",
volume = "45",
pages = "S68--S72",
journal = "Magnetic Resonance in Chemistry",
issn = "0749-1581",
publisher = "John Wiley and Sons Ltd",
number = "Supplement 1",

}

RIS

TY - JOUR

T1 - The determination of O-17 NMR parameters of hydroxyl oxygen : a combined deuteration and DOR approach

AU - Wong, Alan

AU - Hung, Ivan

AU - Howes, Andy P.

AU - Anupõld, Tiit

AU - Past, Jaan

AU - Samoson, Ago

AU - Brown, Steven P.

AU - Smith, Mark E.

AU - Dupree, Ray

PY - 2007/12/1

Y1 - 2007/12/1

N2 - The direct detection of hydroxyl oxygen (O-H) by O-17 double-rotation (DOR) NMR is very challenging because of the strong O-H dipole interaction. It is shown that deuteration of the hydroxyl site overcomes this using glycine-HCl as an illustration. Two well-separated sets of narrow (linewidth similar to 80-100 Hz) resonances with their spinning-sidebands are observed for the carboxyl and hydroxyl oxygens in the DOR spectrum of [O-17,H-2]glycine center dot HCl. The chemical shift anisotropy of these sites is obtained from a simulation of the DOR spinning-sideband intensities. The chemical shift span (Omega) for the carboxyl oxygen is found to be much larger than that of the hydroxyl oxygen, with Omega values of 540 +/- 15 and 210 +/- 10 ppm, respectively.

AB - The direct detection of hydroxyl oxygen (O-H) by O-17 double-rotation (DOR) NMR is very challenging because of the strong O-H dipole interaction. It is shown that deuteration of the hydroxyl site overcomes this using glycine-HCl as an illustration. Two well-separated sets of narrow (linewidth similar to 80-100 Hz) resonances with their spinning-sidebands are observed for the carboxyl and hydroxyl oxygens in the DOR spectrum of [O-17,H-2]glycine center dot HCl. The chemical shift anisotropy of these sites is obtained from a simulation of the DOR spinning-sideband intensities. The chemical shift span (Omega) for the carboxyl oxygen is found to be much larger than that of the hydroxyl oxygen, with Omega values of 540 +/- 15 and 210 +/- 10 ppm, respectively.

KW - NMR, O-17, double rotation, NMR parameters, deuteration, hydroxyl oxygen, glycine

U2 - 10.1002/mrc.2088

DO - 10.1002/mrc.2088

M3 - Journal article

VL - 45

SP - S68-S72

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

SN - 0749-1581

IS - Supplement 1

ER -