Broadband measurement of true transverse relaxation rates in systems with coupled protons: application to the study of conformational exchange.
AuthorsKiraly, Peter; orcid: 0000-0003-3540-4876
Dal Poggetto, Guilherme; orcid: 0000-0003-0591-9166
Castañar, Laura; orcid: 0000-0002-4731-0626
Nilsson, Mathias; orcid: 0000-0003-3301-7899
Deák, Andrea; orcid: 0000-0001-7988-0255
Morris, Gareth A; orcid: 0000-0002-4859-6259
MetadataShow full item record
AbstractAccurate measurement of transverse relaxation rates in coupled spin systems is important in the study of molecular dynamics, but is severely complicated by the signal modulations caused by scalar couplings in spin echo experiments. The most widely used experiments for measuring transverse relaxation in coupled systems, CPMG and PROJECT, can suppress such modulations, but they also both suppress some relaxation contributions, and average relaxation rates between coupled spins. Here we introduce a new experiment which for the first time allows accurate broadband measurement of transverse relaxation rates of coupled protons, and hence the determination of exchange rate constants in slow exchange from relaxation measurements. The problems encountered with existing methods are illustrated, and the use of the new method is demonstrated for the classic case of hindered amide rotation and for the more challenging problem of exchange between helical enantiomers of a gold(i) complex. [Abstract copyright: This journal is © The Royal Society of Chemistry.]
CitationChemical science, volume 12, issue 34, page 11538-11547
DescriptionFrom PubMed via Jisc Publications Router
History: received 2021-06-22, accepted 2021-07-25
Publication status: epublish
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