Ultra-high resolution 17O solid-state NMR spectroscopy of biomolecules : a comprehensive spectral analysis of monosodium L-glutamate·monohydrate

Wong, Alan and Howes, Andy P. and Yates, Jonathan R. and Anthony, Watts and Anupõld, Tiit and Past, Jaan and Samoson, Ago and Dupree, Ray and Smith, Mark E. (2011) Ultra-high resolution 17O solid-state NMR spectroscopy of biomolecules : a comprehensive spectral analysis of monosodium L-glutamate·monohydrate. Physical Chemistry Chemical Physics, 13 (26). pp. 12213-12224. ISSN 1463-9084

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Abstract

Monosodium L-glutamate monohydrate, a multiple oxygen site (eight) compound, is used to demonstrate that a combination of high-resolution solid-state NMR spectroscopic techniques opens up new possibilities for (17)O as a nuclear probe of biomolecules. Eight oxygen sites have been resolved by double rotation (DOR) and multiple quantum (MQ) NMR experiments, despite the (17)O chemical shifts lying within a narrow shift range of <50 ppm. (17)O DOR NMR not only provides high sensitivity and spectral resolution, but also allows a complete set of the NMR parameters (chemical shift anisotropy and electric-field gradient) to be determined from the DOR spinning-sideband manifold. These (17)O NMR parameters provide an important multi-parameter comparison with the results from the quantum chemical NMR calculations, and enable unambiguous oxygen-site assignment and allow the hydrogen positions to be refined in the crystal lattice. The difference in sensitivity between DOR and MQ NMR experiments of oxygen in bio/organic molecules is also discussed. The data presented here clearly illustrates that a high resolution (17)O solid-state NMR methodology is now available for the study of biomolecules, offering new opportunities for resolving structural information and hence new molecular insights.

Item Type: Journal Article
Journal or Publication Title: Physical Chemistry Chemical Physics
Uncontrolled Keywords: /dk/atira/pure/researchoutput/libraryofcongress/qc
Subjects:
Departments: VC's Office
ID Code: 52808
Deposited By: ep_importer_pure
Deposited On: 27 Feb 2012 12:57
Refereed?: Yes
Published?: Published
Last Modified: 29 Oct 2019 06:44
URI: https://eprints.lancs.ac.uk/id/eprint/52808

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