Formation and collision-induced dissociation behaviour of doubly charged gas-phase fullerene anions C602−, C702− and higher homologues. Collision-induced electron-stripping process

1993 ◽  
Vol 28 (5) ◽  
pp. 487-489 ◽  
Author(s):  
A. Mandelbaum ◽  
A. Etinger
Keyword(s):  
Gas Phase ◽  
Collision Induced Dissociation ◽  
Doubly Charged

Collision-induced dissociation of singly and doubly charged CuII–cytidine complexes in the gas phase: an experimental and computational study

RSC Advances ◽  
2012 ◽  
Vol 2 (6) ◽  
pp. 2568 ◽  
Author(s):  
Shuqin Zhang ◽  
Li Xu ◽  
Junguo Dong ◽  
Ping Cheng ◽  
Zhen Zhou ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Collision Induced Dissociation ◽  
Doubly Charged

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.

Rapid Evaluation of Suitable Substrates with High Affinity to Artificial Caffeine Receptors by MS Based Techniques

2005 ◽  
Vol 60 (10) ◽  
pp. 1077-1082 ◽  
Author(s):  
Daniela Mirk ◽  
Heinrich Luftmann ◽  
Siegfried R. Waldvogel
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Collision Induced Dissociation ◽  
Rapid Evaluation ◽  
Tandem Mass ◽  
Binding Affinities ◽  
Electrospray Tandem Mass Spectrometry ◽  
Relative Stabilities ◽  
Receptor Complexes ◽  
High Affinity

A modification of our triphenylene ketal based receptor facilitates electrospray tandem mass spectrometry investigations. Binding affinities of eleven potential substrates, e.g. caffeine and other xanthine alkaloids, are probed in the gas phase with collision induced dissociation. The relative stabilities of the substrate-receptor complexes are rapidly determined and the findings are correlated with the corresponding results in solution.

Chemical Properties of Zwitterionic Imidazolium Alkanecarboxylates Studied in Gas-Phase by Electrospray Ionization – Collision-Induced Dissociation / Cviterjonu Tipa Imidazolija Alkānkarboksilātu Ķīmiskās Īpašības Gāzes Fāzē, Kas Pētītas Ar Elektroizsmidzināšanas Jonizāciju – Sadursmju Inducēto Disociāciju

2012 ◽  
Vol 51 (3) ◽  
pp. 249-256
Author(s):  
A. Podjava ◽  
P. Mekss ◽  
A. Zicmanis ◽  
S. Krasnov
Keyword(s):  
Gas Phase ◽  
Chemical Properties ◽  
Collision Induced Dissociation ◽  
Potassium Ions ◽  
Hydrogen Deuterium Exchange ◽  
Carboxylate Group ◽  
Hydrogen Deuterium ◽  
Ionization Mode ◽  
Sodium And Potassium ◽  
Phase Chemical

Gas-phase chemical properties of several (1-methylimidazol-3-io)-alkane-1-carboxylates (alkane=ethane, propane and butane) have been investigated in this study. These substances are synthesized using classical transformations and analyzed in positive ionization mode using collision-induced dissociation (0-50 eV). These experiments were carried out in both deuterated and undeuterated solvent media. The data obtained in this study show, that carboxylate group weakly influences fragmentation of zwitterionic imidazolium carboxylates in positive electrospray mode. On the other hand, these compounds exert a tendency to form various adducts with sodium and potassium ions and to participate in hydrogen/deuterium exchange in the gas phase.

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