title: The structures and properties of proton- and alkali-bound cysteine dimers.
abstract: The 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.
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Christian
authors.initials: C
authors.lastname: Ieritano
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Patrick J J
authors.initials: PJ
authors.lastname: Carr
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Moaraj
authors.initials: M
authors.lastname: Hasan
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Michael
authors.initials: M
authors.lastname: Burt
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Rick A
authors.initials: RA
authors.lastname: Marta
authors.affiliation: Laboratoire Chimie Physique - CLIO, Campus Universitaire, d'Orsay, Bâtiment 201, Porte 2, Orsay, 91405, France.
authors.forename: Vincent
authors.initials: V
authors.lastname: Steinmetz
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Eric
authors.initials: E
authors.lastname: Fillion
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: Terrance B
authors.initials: TB
authors.lastname: McMahon
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, ON, CanadaN2L 3G1. shopkins@uwaterloo.ca.
authors.forename: W
authors.initials: W
authors.lastname: Scott Hopkins
mesh_terms: D000468:Alkalies / Q000737:chemistry*; D003545:Cysteine / Q000737:chemistry*; D019281:Dimerization; D015394:Molecular Structure; D011522:Protons; D013057:Spectrum Analysis
chemical_list: D000468:Alkalies; D011522:Protons; D003545:Cysteine