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dc.contributor.authorLancefield, Christopher Stuart
dc.contributor.authorSlawin, Alexandra Martha Zoya
dc.contributor.authorWestwood, Nicholas James
dc.contributor.authorLebl, Tomas
dc.date.accessioned2016-04-08T23:01:42Z
dc.date.available2016-04-08T23:01:42Z
dc.date.issued2015-06
dc.identifier.citationLancefield , C S , Slawin , A M Z , Westwood , N J & Lebl , T 2015 , ' The use of residual dipolar coupling for conformational analysis of structurally related natural products ' , Magnetic Resonance in Chemistry , vol. 53 , no. 6 , pp. 467-475 . https://doi.org/10.1002/mrc.4213en
dc.identifier.issn0749-1581
dc.identifier.otherPURE: 161718992
dc.identifier.otherPURE UUID: 492f0888-9c7c-4d00-994a-80dbc1102849
dc.identifier.otherScopus: 84930209385
dc.identifier.otherORCID: /0000-0002-0269-3221/work/48131702
dc.identifier.otherORCID: /0000-0003-0630-0138/work/56424152
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56861549
dc.identifier.otherWOS: 000354998400008
dc.identifier.urihttp://hdl.handle.net/10023/8587
dc.descriptionThe authors would like to acknowledge the EPSRC for funding.en
dc.description.abstractDetermining the conformational preferences of molecules in solution remains a considerable challenge. Recently, the use of residual dipolar coupling (RDC) analysis has emerged as a key method to address this. Whilst to date the majority of the applications have focused on biomolecules including proteins and DNA, the use of RDCs for studying small molecules is gaining popularity. Having said that, the method continues to develop and here we describe an early case study of the quantification of conformer populations in small molecules using RDC analysis. Having been inspired to study conformational preferences by unexpected differences in the NMR spectra and the reactivity of related natural products, we showed that the use of more established techniques was unsatisfactory in explaining the experimental observations. The use of RDCs provided an improved understanding which, following use of methods to quantify conformer populations using RDCs, culminated in a rationalisation of the contrasting diastereoselectivities observed in a ketone reduction reaction
dc.language.isoeng
dc.relation.ispartofMagnetic Resonance in Chemistryen
dc.rightsCopyright © 2014 John Wiley & Sons, Ltd. This is the accepted version of the following article: Lancefield, C. S., Slawin, A. M. Z., Westwood, N. J. and Lebl, T. (2015), The use of residual dipolar coupling for conformational analysis of structurally related natural products. Magn. Reson. Chem., which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/mrc.4213/abstracten
dc.subjectNMRen
dc.subject1Hen
dc.subject13Cen
dc.subjectResidual dipolar couplingsen
dc.subjectNatural productsen
dc.subjectSolution conformationsen
dc.subjectConformational analysisen
dc.subjectMelohenineen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleThe use of residual dipolar coupling for conformational analysis of structurally related natural productsen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.Biomedical Sciences Research Complexen
dc.identifier.doihttps://doi.org/10.1002/mrc.4213
dc.description.statusPeer revieweden
dc.date.embargoedUntil2016-04-09
dc.identifier.urlhttp://onlinelibrary.wiley.com/doi/10.1002/mrc.4213/suppinfoen


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