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Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range

Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range
Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range
Several important NMR procedures involve the conversion of nuclear singlet order into heteronuclear magnetisation, including some experiments involving long-lived spin states and parahydrogen-induced hyperpolarization. However most existing sequences suffer from a limited range of validity or a lack of robustness against experimental imperfections. We present a new radio-frequency scheme for the transformation of the singlet order of a chemically-equivalent homonuclear spin pair into the magnetisation of a heteronuclear coupling partner. The proposed radio-frequency (RF) scheme is called gS2hM (generalized singlet-to-heteronuclear magnetization) and has good compensation for common experimental errors such as RF and static field inhomogeneities. The sequence retains its robustness for homonuclear spin pairs in the intermediate coupling regime, characterised by the in-pair coupling being of the same order of magnitude as the difference between the out-of-pair couplings. This is a substantial improvement to the validity range of existing sequences. Analytical solutions for the pulse sequence parameters are provided. Experimental results are shown for two test cases.
PHIP, Polarization transfer, Pulse sequence, Singlet states
1090-7807
Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Dagys, Laurynas
0de61597-b152-4bee-a934-123a9d2de883
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Dagys, Laurynas
0de61597-b152-4bee-a934-123a9d2de883
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Bengs, Christian, Dagys, Laurynas and Levitt, Malcolm H. (2020) Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range. Journal of Magnetic Resonance, 321, [106850]. (doi:10.1016/j.jmr.2020.106850).

Record type: Article

Abstract

Several important NMR procedures involve the conversion of nuclear singlet order into heteronuclear magnetisation, including some experiments involving long-lived spin states and parahydrogen-induced hyperpolarization. However most existing sequences suffer from a limited range of validity or a lack of robustness against experimental imperfections. We present a new radio-frequency scheme for the transformation of the singlet order of a chemically-equivalent homonuclear spin pair into the magnetisation of a heteronuclear coupling partner. The proposed radio-frequency (RF) scheme is called gS2hM (generalized singlet-to-heteronuclear magnetization) and has good compensation for common experimental errors such as RF and static field inhomogeneities. The sequence retains its robustness for homonuclear spin pairs in the intermediate coupling regime, characterised by the in-pair coupling being of the same order of magnitude as the difference between the out-of-pair couplings. This is a substantial improvement to the validity range of existing sequences. Analytical solutions for the pulse sequence parameters are provided. Experimental results are shown for two test cases.

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Accepted/In Press date: 9 October 2020
e-pub ahead of print date: 14 October 2020
Keywords: PHIP, Polarization transfer, Pulse sequence, Singlet states

Identifiers

Local EPrints ID: 444856
URI: http://eprints.soton.ac.uk/id/eprint/444856
ISSN: 1090-7807
PURE UUID: d2f6368c-deee-4908-9d6c-068cb960f4e7
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 06 Nov 2020 17:33
Last modified: 18 Feb 2021 16:56

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Contributors

Author: Christian Bengs
Author: Laurynas Dagys

University divisions

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