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A Robust Multigrid Algorithm for the Euler Equations with Local Preconditioning and Semi-coarsening
A semi-coarsened multigrid algorithm with a point block Jacobi, multi-stage smoother for second-order upwind discretizations of the two-dimensional Euler equations which produces convergence ratesExpand
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Gas-Phase Fragmentation Reactions of Protonated Aromatic Amino Acids: Concomitant and Consecutive Neutral Eliminations and Radical Cation Formations
Gas-phase dissociation reactions of protonated amino acidsphenylalanine, tyrosine, tryptophan, and histidineare rich and diverse. Considerable similarities exist among the four amino acids, but thereExpand
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Silver ion binding energies of amino acids: Use of theory to assess the validity of experimental silver ion basicities obtained from the kinetic method
The complexes of silver ion, Ag+, with the twenty naturally occurring amino acids have been calculated using hybrid density functional theory at the B3LYP/DZVP level. For all of these silverExpand
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Fragmentations of protonated arginine, lysine and their methylated derivatives: concomitant losses of carbon monoxide or carbon dioxide and an amine.
The fragmentation pathways of protonated arginine, protonated N(alpha),N(alpha)-dimethylarginine, the N(alpha),N(alpha),N(alpha)-trimethylarginine ion, three protonatedExpand
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Ion-spray mass spectrometry of marine neurotoxins.
Ion-spray mass spectrometry was investigated for the analysis of three marine neurotoxins: domoic acid, saxitoxin and tetrodotoxin. All three compounds gave positive-ion spectra with abundant ions ofExpand
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Elucidation of fragmentation mechanisms of protonated Peptide ions and their products: a case study on glycylglycylglycine using density functional theory and threshold collision-induced dissociation.
The fragmentation mechanisms of protonated triglycine and its first-generation dissociation products have been investigated using a combination of density functional theory calculations and thresholdExpand
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The cysteine radical cation: structures and fragmentation pathways.
A theoretical study on the structures, relative energies, isomerization reactions and fragmentation pathways of the cysteine radical cation, [NH(2)CH(CH(2)SH)COOH].+, is reported. Hybrid densityExpand
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Peptide Radical Cations
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a2 Ion Derived from Triglycine: An N1-Protonated 4-Imidazolidinone
Fragmentation of protonated peptides in the gas phase constitutes the basis for gas-phase sequencing of peptides using tandem mass spectrometry. Several mechanistic studies have indicated possibleExpand
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Infrared multiphoton dissociation in quadrupole time-of-flight mass spectrometry: top-down characterization of proteins.
The first implementation of infrared multiphoton dissociation (IRMPD) for a hybrid quadrupole time-of-flight (QqTOF) mass spectrometer is reported. Ions were trapped in the radio frequency-onlyExpand
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