Cis− trans isomerization of organic molecules and biomolecules: implications and applications

C Dugave, L Demange - Chemical reviews, 2003 - ACS Publications
Organic molecules as well as metal complexes may exist as several geometric isomers1
which display distinct physical properties and chemical reactivities. A molecule containing …

Fragmentation pathways of protonated peptides

B Paizs, S Suhai - Mass spectrometry reviews, 2005 - Wiley Online Library
The fragmentation pathways of protonated peptides are reviewed in the present paper
paying special attention to classification of the known fragmentation channels into a simple …

Infrared spectroscopy and theoretical studies on gas-phase protonated leu-enkephalin and its fragments: direct experimental evidence for the mobile proton

NC Polfer, J Oomens, S Suhai… - Journal of the American …, 2007 - ACS Publications
The gas-phase structures of the protonated pentapeptide Leu-enkephalin and its main
collision-induced dissociation (CID) product ions, b 4 and a 4, are investigated by means of …

Mechanism and energetics of intramolecular hydrogen transfer in amide and peptide radicals and cation-radicals

F Tureček, EA Syrstad - Journal of the American Chemical …, 2003 - ACS Publications
Intramolecular hydrogen transfer in five model amide and peptide radicals and cation-
radicals was investigated by combined B3LYP-MP2 calculations. Hypervalent ammonium …

To b or not to b: the ongoing saga of peptide b ions

AG Harrison - Mass spectrometry reviews, 2009 - Wiley Online Library
Modern soft ionization techniques readily produce protonated or multiply protonated
peptides. Collision‐induced dissociation (CID) of these protonated species is often used as …

Towards understanding the tandem mass spectra of protonated oligopeptides. 1: mechanism of amide bond cleavage

B Paizs, S Suhai - Journal of the American Society for Mass Spectrometry, 2004 - Springer
The mechanism of the cleavage of protonated amide bonds of oligopeptides is discussed in
detail exploring the major energetic, kinetic, and entropy factors that determine the …

Infrared fingerprint spectroscopy and theoretical studies of potassium ion tagged amino acids and peptides in the gas phase

NC Polfer, B Paizs, LC Snoek… - Journal of the …, 2005 - ACS Publications
Infrared multiple-photon dissociation spectroscopy is effected on the K+ tagged aromatic
amino acids tyrosine and phenylalanine, as well as the K+ tagged peptides bradykinin …

Relative Energetics of the Gas Phase Protomers of p-Aminobenzoic Acid and the Effect of Protonation Site on Fragmentation

M Demireva, PB Armentrout - The Journal of Physical Chemistry A, 2021 - ACS Publications
Guided ion beam tandem mass spectrometry (GIBMS) is used to investigate the energy-
dependent threshold collision-induced dissociation (TCID) of the two protonated isomers …

Combined quantum chemical and RRKM modeling of the main fragmentation pathways of protonated GGG. II. Formation of b2, y1, and y2 ions

B Paizs, S Suhai - Rapid Communications in Mass …, 2002 - Wiley Online Library
Quantum chemical and RRKM calculations were performed on protonated GGG in order to
determine the atomic details of the main fragmentation pathways leading to formation of b2 …

Spectroscopic evidence for an oxazolone structure of the b2 fragment ion from protonated tri-alanine

J Oomens, S Young, S Molesworth… - Journal of the American …, 2009 - Springer
Infrared multiple photon dissociation (IRMPD) spectroscopy is used to identify the structure
of the b 2+ ion generated from protonated tri-alanine by collision induced dissociation (CID) …