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dc.contributor.authorAnwar, Ahdia
dc.contributor.authorPsutka, Jarrod
dc.contributor.authorWalker, Stephen W. C.
dc.contributor.authorDieckmann, Thorsten
dc.contributor.authorJanizewski, John S.
dc.contributor.authorLarry Campbell, J.
dc.contributor.authorScott Hopkins, W. 19:29:08 (GMT) 19:29:08 (GMT)
dc.descriptionThe final publication is available at Elsevier via © 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license
dc.description.abstractThe protonated nucleobases (C+H)+, (T+H)+, (U+H)+, (A+H)+, and (G+H)+ are investigated in a combined experimental and computational study using differential mobility spectrometry (DMS), mass spectrometry, and electronic structure calculations. DMS is used to isolate individual tautomeric forms for each protonated nucleobase prior to characterization with HDX or CID. The population distributions of each protonated nucleobase formed by electrospray ionization (ESI) are dominated by a single tautomeric form, as is predicted by our calculations. However, all nucleobases present additional tautomers upon ESI, with these minor contributions to the ensemble populations attributed to additional higher energy metastable species. In addition to the tautomer-derived species, additional ion signals in the DMS data are attributed to larger nucleobase-containing clusters, which fragment post-DMS to yield bare ion and fragment ion signals that are consistent with those expected for the bare protonated nucleobases. Contributions from larger clustered species are instead distinguished by monitoring DMS ion signal as declustering potential voltages are ramped.en
dc.description.sponsorshipNatural Sciences and Engineering Research Council (NSERC) of Canadaen
dc.description.sponsorshipDiscovery Grant, Collaborative Research and Development Grant programsen
dc.description.sponsorshipOntario Centres of Excellenceen
dc.description.sponsorshipVIP-II granten
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.subjectCoupled cluster theoryen
dc.subjectDensity functional theoryen
dc.subjectDifferential mobility spectrometryen
dc.subjectEnhanced product ionen
dc.subjectHydrogen-deuterium exchangeen
dc.titleSeparating and probing tautomers of protonated nucleobases using differential mobility spectrometryen
dcterms.bibliographicCitationAnwar, A., Psutka, J., Walker, S. W. C., Dieckmann, T., Janizewski, J. S., Larry Campbell, J., & Scott Hopkins, W. (2017). Separating and probing tautomers of protonated nucleobases using differential mobility spectrometry. International Journal of Mass Spectrometry.
uws.contributor.affiliation1Faculty of Scienceen

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