The University of Southampton
University of Southampton Institutional Repository

Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation

Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation
Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation
Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T-1. Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in (CH3)-C-13 groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states. (C) 2015 AIP Publishing LLC.
0021-9606
1-13
Dumez, Jean-Nicolas
10fd319d-e42c-42dc-8b2b-34c10475cc27
Hakansson, Par
814e08b5-ae95-408f-a669-bec9c0ef4235
Mamone, Salvo
e862899b-943e-4998-96b5-90480ce27208
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Stevanato, Gabriele
13f2e0a2-2ce7-4938-a2ac-274a81196a72
Hill-Cousins, Joseph
52574106-db8c-4f0c-85ed-e388710fe723
Singha Roy, Soumya
fa8b7e87-8477-417a-932e-61e36581c720
Brown, Richard
21ce697a-7c3a-480e-919f-429a3d8550f5
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Levitt, Malcolm
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Dumez, Jean-Nicolas
10fd319d-e42c-42dc-8b2b-34c10475cc27
Hakansson, Par
814e08b5-ae95-408f-a669-bec9c0ef4235
Mamone, Salvo
e862899b-943e-4998-96b5-90480ce27208
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Stevanato, Gabriele
13f2e0a2-2ce7-4938-a2ac-274a81196a72
Hill-Cousins, Joseph
52574106-db8c-4f0c-85ed-e388710fe723
Singha Roy, Soumya
fa8b7e87-8477-417a-932e-61e36581c720
Brown, Richard
21ce697a-7c3a-480e-919f-429a3d8550f5
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Levitt, Malcolm
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Dumez, Jean-Nicolas, Hakansson, Par, Mamone, Salvo, Meier, Benno, Stevanato, Gabriele, Hill-Cousins, Joseph, Singha Roy, Soumya, Brown, Richard, Pileio, Giuseppe and Levitt, Malcolm (2015) Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation. The Journal of Chemical Physics, 142 (4), 1-13. (doi:10.1063/1.4906273).

Record type: Article

Abstract

Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T-1. Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in (CH3)-C-13 groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states. (C) 2015 AIP Publishing LLC.

Full text not available from this repository.

More information

Accepted/In Press date: 5 January 2015
Published date: 28 January 2015
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow, Magnetic Resonance

Identifiers

Local EPrints ID: 395468
URI: https://eprints.soton.ac.uk/id/eprint/395468
ISSN: 0021-9606
PURE UUID: 2fa0863f-71a5-4be7-801e-1b9cef25650c
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
ORCID for Richard Brown: ORCID iD orcid.org/0000-0003-0156-7087
ORCID for Giuseppe Pileio: ORCID iD orcid.org/0000-0001-9223-3896
ORCID for Malcolm Levitt: ORCID iD orcid.org/0000-0001-9878-1180

Catalogue record

Date deposited: 31 May 2016 10:31
Last modified: 15 Aug 2019 00:52

Export record

Altmetrics

Contributors

Author: Jean-Nicolas Dumez
Author: Par Hakansson
Author: Salvo Mamone
Author: Benno Meier ORCID iD
Author: Gabriele Stevanato
Author: Joseph Hill-Cousins
Author: Soumya Singha Roy
Author: Richard Brown ORCID iD
Author: Giuseppe Pileio ORCID iD
Author: Malcolm Levitt ORCID iD

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of https://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×