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Variable-temperature NMR spectroscopy for metabolite identification in biological materials

cris.lastimport.scopus2024-02-12T19:48:20Z
dc.abstract.enNuclear magnetic resonance is a "workhorse technique" used in metabolomics, complementary to mass spectrometry. Unfortunately, only the most basic NMR methods are sensitive enough to allow fast medical screening. The most common of them, a simple H-1 NMR, suffers from low dispersion of resonance frequencies, which often hampers the identification of metabolites. In this article we show that H-1 NMR spectra contain previously overlooked parameters potentially helpful in metabolite identification, namely the rates of temperature-induced changes of chemical shifts. We prove that they are reproducible between various metabolite mixtures and can be determined quickly when Radon transform is used to process the data.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorUrbańczyk, Mateusz
dc.contributor.authorNawrocka, Ewa K.
dc.contributor.authorKazimierczuk, Krzysztof
dc.contributor.authorKoziński, Kamil
dc.date.accessioned2024-01-26T11:45:33Z
dc.date.available2024-01-26T11:45:33Z
dc.date.issued2021
dc.description.financeŚrodki finansowe przyznane na realizację projektu w zakresie badań naukowych lub prac rozwojowych
dc.description.number56
dc.description.volume11
dc.identifier.doi10.1039/D1RA05626C
dc.identifier.issn2046-2069
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/124542
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA05626C
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofRSC Advances
dc.relation.pages35321-35325
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleVariable-temperature NMR spectroscopy for metabolite identification in biological materials
dc.typeJournalArticle
dspace.entity.typePublication