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dc.contributor.authorIeritano, Christian
dc.contributor.authorCarr, Patrick J. J.
dc.contributor.authorHasan, Moaraj
dc.contributor.authorBurt, Michael
dc.contributor.authorMarta, Rick A.
dc.contributor.authorSteinmetz, Vincent
dc.contributor.authorFillion, Eric
dc.contributor.authorMcMahon, Terrance B.
dc.contributor.authorHopkins, W. Scott
dc.date.accessioned2020-10-26 22:03:34 (GMT)
dc.date.available2020-10-26 22:03:34 (GMT)
dc.date.issued2016
dc.identifier.urihttps://doi.org/10.1039/C5CP07414B
dc.identifier.urihttp://hdl.handle.net/10012/16473
dc.description.abstractThe proton-, lithium-, and sodium-bound cysteine dimers have been investigated in a joint computational and experimental infrared multiple photon dissociation (IRMPD) study. IRMPD spectra in the 1000–2000 cm−1 region show that protonation is localized on an amine group, and that intermolecular hydrogen bonding occurs between the protonated amine and the carbonyl oxygen of the neutral Cys moiety. Alkali-bound dimers adopt structures reminiscent of those observed for the monomeric Cys·Li+ and Cys·Na+ species. Calculations of the heavier Cys2·M+ (M = K, Rb or Cs) species suggest that these are significantly less strongly bound than the lighter (M = H, Li, or Na) dimers.en
dc.description.sponsorshipWe gratefully acknowledge high performance computing support from the SHARCNET consortium of Compute Canada. We are also grateful to the Centre Laser Infrarouge dOrsay (CLIO) team and technical support staff for the valuable assistance and hospitality. The authors would like to acknowledge financial support from the Natural Sciences and Engineering Research Council (NSERC) of Canada.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.titleThe structures and properties of proton- and alkali-bound cysteine dimersen
dc.typeArticleen
dcterms.bibliographicCitationPhys. Chem. Chem. Phys., 2016,18, 4704-4710en
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Chemistryen
uws.typeOfResourceTexten
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.scholarLevelPost-Doctorateen
uws.scholarLevelGraduateen


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