Characterization of reaction intermediates by ion spectroscopy
J Roithová - Chemical Society Reviews, 2012 - pubs.rsc.org
In the last decade, we have experienced massive progress in spectroscopic methods for
mass-selected ions. The aim of this tutorial review is to present action spectroscopy as a …
mass-selected ions. The aim of this tutorial review is to present action spectroscopy as a …
Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters
IS Joung, TE Cheatham III - The Journal of Physical Chemistry B, 2009 - ACS Publications
The dynamic and energetic properties of the alkali and halide ions were calculated using
molecular dynamics (MD) and free energy simulations with various different water and ion …
molecular dynamics (MD) and free energy simulations with various different water and ion …
Investigations on isolated peptides by combined IR/UV spectroscopy in a molecular beam–structure, aggregation, solvation and molecular recognition
K Schwing, M Gerhards - International Reviews in Physical …, 2016 - Taylor & Francis
The well-known correlation between structure and functionality has motivated generations of
scientists to intensively investigate the structural behaviour of peptide and protein systems …
scientists to intensively investigate the structural behaviour of peptide and protein systems …
Nanoparticle‐assisted cation adduction and fragmentation of small metabolites
Mass spectrometry (MS) promises small‐metabolite profiling as a tool of the future and calls
for the comprehensive understanding of key procedures to enhance its capability. Herein …
for the comprehensive understanding of key procedures to enhance its capability. Herein …
[HTML][HTML] IRPD spectroscopy and ensemble measurements: effects of different data acquisition and analysis methods
Three different commonly used infrared photodissociation (IRPD) spectroscopy acquisition
and analysis methods are described, and results from these methods are compared using …
and analysis methods are described, and results from these methods are compared using …
Structures of protonated dipeptides: the role of arginine in stabilizing salt bridges
Structures of protonated dipeptides containing N-terminal Gly, Val, Pro, Lys, His, or Arg and
C-terminal Arg are investigated with infrared multiple photon dissociation (IRMPD) …
C-terminal Arg are investigated with infrared multiple photon dissociation (IRMPD) …
Structural and electric field effects of ions in aqueous nanodrops
Ensemble infrared photodissociation (IRPD) spectra in the hydrogen stretch region (∼
2950− 3800 cm− 1) are reported for M (H2O) 35− 37, with M= I−, Cl−, HCO3−, OH …
2950− 3800 cm− 1) are reported for M (H2O) 35− 37, with M= I−, Cl−, HCO3−, OH …
Chirality-Induced Conformational Preferences in Peptide− Metal Ion Binding Revealed by IR Spectroscopy
Chirality reversal of a residue in a peptide can change its mode of binding to a metal ion, as
shown here experimentally by gas-phase IR spectroscopy of peptide− metal ion complexes …
shown here experimentally by gas-phase IR spectroscopy of peptide− metal ion complexes …
IR spectroscopy of cationized aliphatic amino acids: stability of charge-solvated structure increases with metal cation size
MK Drayß, PB Armentrout, J Oomens… - International Journal of …, 2010 - Elsevier
Gas-phase structures of alkali metal cationized (Li+, Na+, K+, Rb+, and Cs+) proline (Pro)
and N-methyl alanine have been investigated using infrared multiple photon dissociation …
and N-methyl alanine have been investigated using infrared multiple photon dissociation …
Molecular hydrogen messengers can lead to structural infidelity: A cautionary tale of protonated glycine
The effects of tagging protonated glycine with either He or between 1 and 14 H 2 molecules
on the infrared photodissociation spectra and the ion structure were investigated …
on the infrared photodissociation spectra and the ion structure were investigated …