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14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies

14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies
14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies
Overtone 14N NMR spectroscopy is a promising route for the direct detection of 14N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from 1H to the 14N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for 14N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker–Planck equations
1463-9076
6577-6587
Haies, Ibraheem M.
d14dce0d-4693-429a-8047-7770f3765d02
Jarvis, James A.
ff38f19b-7bfa-4361-b1ce-7cc7df510b92
Bentley, Harry
50d20db0-20ca-486c-a7da-4399d81c4220
Heinmaa, Ivo
fd7cd386-fb1b-4b8a-a46f-de54c48ef4da
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Williamson, Philip T.F.
0b7715c6-b60e-4e95-a1b1-6afc8b9f372a
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Haies, Ibraheem M.
d14dce0d-4693-429a-8047-7770f3765d02
Jarvis, James A.
ff38f19b-7bfa-4361-b1ce-7cc7df510b92
Bentley, Harry
50d20db0-20ca-486c-a7da-4399d81c4220
Heinmaa, Ivo
fd7cd386-fb1b-4b8a-a46f-de54c48ef4da
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Williamson, Philip T.F.
0b7715c6-b60e-4e95-a1b1-6afc8b9f372a
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691

Haies, Ibraheem M., Jarvis, James A., Bentley, Harry, Heinmaa, Ivo, Kuprov, Ilya, Williamson, Philip T.F. and Carravetta, Marina (2015) 14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies. Physical Chemistry Chemical Physics, 17 (9), 6577-6587. (doi:10.1039/c4cp03994g). (PMID:25662410)

Record type: Article

Abstract

Overtone 14N NMR spectroscopy is a promising route for the direct detection of 14N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from 1H to the 14N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for 14N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker–Planck equations

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More information

Accepted/In Press date: 30 January 2015
Published date: February 2015
Organisations: Magnetic Resonance, Centre for Biological Sciences

Identifiers

Local EPrints ID: 374972
URI: https://eprints.soton.ac.uk/id/eprint/374972
ISSN: 1463-9076
PURE UUID: 69c27e30-c2c4-4d3b-9911-868d88355e5c
ORCID for Ilya Kuprov: ORCID iD orcid.org/0000-0003-0430-2682
ORCID for Philip T.F. Williamson: ORCID iD orcid.org/0000-0002-0231-8640
ORCID for Marina Carravetta: ORCID iD orcid.org/0000-0002-6296-2104

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Date deposited: 06 Mar 2015 16:38
Last modified: 14 Jul 2018 00:34

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