Dissociation Behavior of Doubly-Charged Tryptic Peptides:  Correlation of Gas-Phase Cleavage Abundance with Ramachandran Plots

2004 ◽  
Vol 126 (10) ◽  
pp. 3034-3035 ◽  
Author(s):  
Yingying Huang ◽  
Joseph M. Triscari ◽  
Ljiljana Pasa-Tolic ◽  
Gordon A. Anderson ◽  
Mary S. Lipton ◽  
...  
Keyword(s):  
Gas Phase ◽  
Tryptic Peptides ◽  
Ramachandran Plots ◽  
Doubly Charged

Serine–Ca2+ versus serine–Cu2+ complexes — A theoretical perspective

2010 ◽  
Vol 88 (8) ◽  
pp. 759-768 ◽  
Author(s):  
Al Mokhtar Lamsabhi ◽  
Otilia Mó ◽  
Manuel Yáñez
Keyword(s):  
Gas Phase ◽  
Electron Density ◽  
Potential Energy Surfaces ◽  
Metal Ion ◽  
Theoretical Perspective ◽  
Binding Energies ◽  
Interacting Systems ◽  
Intramolecular Hydrogen ◽  
Energy Surfaces ◽  
Doubly Charged

The association of Ca2+ and Cu2+ to serine was investigated by means of B3LYP DFT calculations. The [serine–M]2+ (M = Ca, Cu) potential energy surfaces include, as does the neutral serine, a large number of conformers, in which a drastic reorganization of the electron density of the serine moiety is observed. This leads to significant changes in the number and strength of the intramolecular hydrogen bonds existing in the neutral serine tautomers. In some cases, a proton is transferred from the carboxylic OH group to the amino group and accordingly, some of the more stable [serine–M]2+ complexes can be viewed as the result of the interaction of the zwiterionic form of serine with the doubly charged metal ion. Whereas the interaction between Ca2+ and serine is essentially electrostatic, that between Cu2+ and serine has a non-negligible covalent character, reflected in larger electron densities at the bond critical points between the metal and the base, in the negative values of the electron density between the two interacting systems, and in much larger Cu2+ than Ca2+ binding energies. More importantly, the interaction with Cu2+ is followed by a partial oxidation of the base, which is not observed when the metal ion is Ca2+. The main consequence is that in Cu2+ complexes a significant acidity enhancement of the serine moiety takes place, which strongly favors the deprotonation of the [serine–Cu]2+ complexes. This is not the case for Ca2+ complexes. Thus, [serine–Ca]2+ complexes, like those formed by urea, thiourea, selenourea, or glycine, should be detected in the gas phase. Conversely, the complexes with Cu2+ should deprotonate spontaneously and therefore only [(serine–H)–Cu]+ monocations should be experimentally accessible.

scholarly journals Statistical Characterization of Ion Trap Tandem Mass Spectra from Doubly Charged Tryptic Peptides

2003 ◽  
Vol 75 (5) ◽  
pp. 1155-1163 ◽  
Author(s):  
David L. Tabb ◽  
Lori L. Smith ◽  
Linda A. Breci ◽  
Vicki H. Wysocki ◽  
Dayin Lin ◽  
...  
Keyword(s):  
Mass Spectra ◽  
Ion Trap ◽  
Tandem Mass ◽  
Tryptic Peptides ◽  
Statistical Characterization ◽  
Tandem Mass Spectra ◽  
Doubly Charged

Gas-phase chemistry and photochemistry of doubly charged transition-metal-containing ions

1991 ◽  
Vol 10 (4) ◽  
pp. 303-328 ◽  
Author(s):  
Lisa M. Roth ◽  
Ben S. Freiser
Keyword(s):  
Transition Metal ◽  
Gas Phase ◽  
Gas Phase Chemistry ◽  
Phase Chemistry ◽  
Doubly Charged

ChemInform Abstract: Doubly Charged Transition-Metal Complexes in the Gas Phase.

ChemInform ◽  
2010 ◽  
Vol 33 (18) ◽  
pp. no-no
Author(s):  
Anthony J. Stace
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Gas Phase ◽  
Transition Metal Complexes ◽  
Doubly Charged

Generation and Characterization of Gas-Phase Doubly Charged Biradical Peptide Ions (M2+••)

2017 ◽  
Vol 89 (14) ◽  
pp. 7773-7780 ◽  
Author(s):  
Y. L. Elaine Wong ◽  
Xiangfeng Chen ◽  
Ri Wu ◽  
Y. L. Winnie Hung ◽  
Hoi Sze Yeung ◽  
...  
Keyword(s):  
Gas Phase ◽  
Peptide Ions ◽  
Doubly Charged

On the formation of doubly charged cation radicals from acetyl and 1-hydroxyvinyl cations in the gas phase. A combined experimental and ab initio study

1985 ◽  
Vol 67 (2) ◽  
pp. 171-177 ◽  
Author(s):  
Wolfram Koch ◽  
Helmut Schwarz ◽  
Francis Maquin ◽  
Daniel Stahl
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Ab Initio Study ◽  
Cation Radicals ◽  
Doubly Charged

Vanadium Hydroxide Cluster Ions in the Gas Phase: Bond-Forming Reactions of Doubly-Charged Negative Ions by SO2 -Promoted V−O Activation

2017 ◽  
Vol 23 (49) ◽  
pp. 11752-11756 ◽  
Author(s):  
Anna Troiani ◽  
Marzio Rosi ◽  
Stefania Garzoli ◽  
Chiara Salvitti ◽  
Giulia de Petris
Keyword(s):  
Gas Phase ◽  
Negative Ions ◽  
Cluster Ions ◽  
Bond Forming ◽  
Bond Forming Reactions ◽  
Doubly Charged

Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation

2012 ◽  
Vol 47 (2) ◽  
pp. 208-220 ◽  
Author(s):  
Carlos Afonso ◽  
Jean-Claude Tabet ◽  
Gianluca Giorgi ◽  
František Tureček
Keyword(s):  
Gas Phase ◽  
Electron Capture ◽  
Electron Capture Dissociation ◽  
Cyclic Peptides ◽  
Oxidation States ◽  
Doubly Charged
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