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Non-uniform sampling of similar NMR spectra and its application to studies of the interaction between alpha-synuclein and liposomes

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dc.abstract.enThe accelerated acquisition of multidimensional NMR spectra using sparse non-uniform sampling (NUS) has been widely adopted in recent years. The key concept in NUS is that a major part of the data is omitted during measurement, and then reconstructed using, for example, compressed sensing (CS) methods. CS requires spectra to be compressible, that is, they should contain relatively few “significant” points. The more compressible the spectrum, the fewer experimental NUS points needed in order for it to be accurately reconstructed. In this paper we show that the CS processing of similar spectra can be enhanced by reconstructing only the differences between them. Accurate reconstruction can be obtained at lower sampling levels as the difference is sparser than the spectrum itself. In many situations this method is superior to “conventional” compressed sensing. We exemplify the concept of “difference CS” with one such case—the study of alpha-synuclein binding to liposomes and its dependence on temperature. To obtain information on temperature-dependent transitions between different states, we need to acquire several dozen spectra at various temperatures, with and without the presence of liposomes. Our detailed investigation reveals that changes in the binding modes of the alpha-synuclein ensemble are not only temperature-dependent but also show non-linear behavior in their transitions. Our proposed CS processing approach dramatically reduces the number of NUS points required and thus significantly shortens the experimental time.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorNowakowski, Michał
dc.contributor.authorShchukina, Alexandra
dc.contributor.authorKazimierczuk, Krzysztof
dc.contributor.authorKonrat, Robert
dc.contributor.authorSchwarz, Thomas C.
dc.date.accessioned2024-01-25T13:51:33Z
dc.date.available2024-01-25T13:51:33Z
dc.date.copyright2023-05-26
dc.date.issued2023
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number4
dc.description.versionFINAL_PUBLISHED
dc.description.volume77
dc.identifier.doi10.1007/S10858-023-00418-3
dc.identifier.issn0925-2738
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/113894
dc.identifier.weblinkhttps://link.springer.com/content/pdf/10.1007/s10858-023-00418-3.pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofJournal of Biomolecular NMR
dc.relation.pages149-163
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enNon-uniform sampling · Serial NMR · Compressed sensing · Alpha-synuclein · Temperature-gradient · Protein- membrane interaction
dc.titleNon-uniform sampling of similar NMR spectra and its application to studies of the interaction between alpha-synuclein and liposomes
dc.typeJournalArticle
dspace.entity.typePublication