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Dissociation of the N-Cα bond and competitive formation of the [zn−H]•+ and [cn+2H]+ product ions in radical peptide ions containing tyrosine and tryptophan: The influence of proton affinities on
Dissociations at the N-Cα bond of tryptophan and tyrosine residues are the prevalent pathways in the fragmentations of radical cations of tripeptides that contain such as residues. This processExpand
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Gaseous bradykinin and its singly, doubly, and triply protonated forms: a first-principles study.
The conformers of gaseous bradykinin, BK, (Arg(1)-Pro(2)-Pro(3)-Gly(4)-Phe(5)-Ser(6)-Pro(7)-Phe(8)-Arg(9)) and its protonated forms, [BK + H](+), [BK + 2H](2+), and [BK + 3H](3+), were examinedExpand
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Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n.
The mechanism of size-dependent intracluster hydrogen loss in the cluster ions Mg(+)(H(2)O)(n), which is switched on around n=6, and off around n=14, was studied by ab initio calculations at theExpand
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Effect of the N-terminal basic residue on facile Cα-C bond cleavages of aromatic-containing peptide radical cations.
  • M. Xu, T. Song, +4 authors I. Chu
  • Chemistry, Medicine
  • Physical chemistry chemical physics : PCCP
  • 16 March 2011
Fragmentation of radical cationic peptides [R(G)(n-2)X(G)(7-n)]˙(+) and [R(G)(m-2)XG]˙(+) (X = Phe or Tyr; m = 2-5; n = 2-7) leads selectively to a(n)(+) product ions through in situ C(α)-C peptideExpand
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Ab initio molecular dynamics studies of ionic dissolution and precipitation of sodium chloride and silver chloride in water clusters, NaCl(H2O)n and AgCl(H2O)n, n = 6, 10, and 14.
An ab initio molecular dynamics method was used to compare the ionic dissolution of soluble sodium chloride (NaCl) in water clusters with the highly insoluble silver chloride (AgCl). TheExpand
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Kinetics for tautomerizations and dissociations of triglycine radical cations
Fragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG•]+, [GG•G]+, and [G•GG]+, are charge-driven, giving b-type ions; these are processes that are facilitated by aExpand
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Structure of the observable histidine radical cation in the gas phase: a captodative alpha-radical ion.
Protein-based radicals play crucial roles in some of the greatest biosynthetic challenges in nature, including photosynthesis and substrate oxidation. Radical centers have been located on aromaticExpand
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Conformation switching in gas-phase complexes of histidine with alkaline earth ions.
Infrared multiple photon dissociation spectroscopy of gas-phase doubly charged alkaline earth complexes of histidine reveals a transition from dominance of the zwitterion (salt bridge, SB)Expand
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Dissociations of copper(II)-containing complexes of aromatic amino acids: radical cations of tryptophan, tyrosine, and phenylalanine.
The dissociations of two types of copper(II)-containing complexes of tryptophan (Trp), tyrosine (Tyr), or phenylalanine (Phe) are described. The first type is the bis-amino acid complex,Expand
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Optimization of parameters used in algorithms of ion-mobility calculation for conformational analyses.
Structural information of gaseous ions can be obtained by comparing their collision cross sections as determined by ion-mobility experiments with those by theoretical modeling. Three theoreticalExpand
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