[HTML][HTML] Rotational action spectroscopy of trapped molecular ions

O Asvany, S Schlemmer - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Rotational action spectroscopy is an experimental method in which rotational spectra of
molecules, typically in the microwave to sub-mm-wave domain of the electromagnetic …

[HTML][HTML] Setting up the HyDRA blind challenge for the microhydration of organic molecules

TL Fischer, M Bödecker… - Physical Chemistry …, 2022 - pubs.rsc.org
The procedure leading to the first HyDRA blind challenge for the prediction of water donor
stretching vibrations in monohydrates of organic molecules is described. A training set of 10 …

Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum …

R Xu, Z Jiang, Q Yang, J Bloino… - Journal of …, 2024 - Wiley Online Library
Advanced vibrational spectroscopic experiments have reached a level of sophistication that
can only be matched by numerical simulations in order to provide an unequivocal analysis …

Vibrational spectroscopy of the cryogenically cooled O-and N-protomers of 4-aminobenzoic acid: Tag effects, isotopic labels, and identification of the E, Z isomer of the …

T Khuu, N Yang, MA Johnson - International journal of mass spectrometry, 2020 - Elsevier
Aminobenzoic acid (4ABA) is a biologically relevant, small organic molecule with two
protonation sites: the amino group (N-protomer) and the carboxyl group (O-protomer). The O …

[HTML][HTML] A sub-4 Kelvin radio frequency linear multipole wire trap

K Geistlinger, M Fischer, S Spieler… - Review of Scientific …, 2021 - pubs.aip.org
A linear cryogenic 16-pole wire ion trap has been developed and constructed for cryogenic
ion spectroscopy at temperatures below 4 K. The trap is temperature-variable, can be …

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

A Zviagin, R Yamaletdinov, N Nagornova… - The Journal of …, 2023 - ACS Publications
The geometry of biomolecules isolated in the gas phase usually differs substantially from
their native structures in aqueous solution, which are the only ones truly relevant to life …

Microhydration of Biomolecules: Revealing the Native Structures by Cold Ion IR Spectroscopy

E Saparbaev, V Aladinskaia, A Zviagin… - The Journal of …, 2021 - ACS Publications
The native-like structures of protonated glycine and peptide Gly3H+ were elucidated using
cold ion IR spectroscopy of these biomolecules hydrated by a controlled number of water …

Numerical analysis of pulsed extraction of ions from a 16-Pole/16-Wire ion trap for time-of-flight mass spectrometry

N Pattathadathil, SS Kumar - Physica Scripta, 2023 - iopscience.iop.org
Multipole radiofrequency ion traps are versatile tools for trapping and manipulating ions. The
extraction of ions from such a trap leads to broad time-of-flight (ToF) distributions, which …

Conformer‐selective Photodynamics of TrpH+−H2O

F Molina, J Dezalay, J Tabata, S Soorkia… - …, 2023 - Wiley Online Library
The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+− H2O
has been revisited. A combination of steady‐state IR and UV cryogenic ion spectroscopies …

[HTML][HTML] Chiral recognition in cold gas-phase cluster ions of carbohydrates and tryptophan probed by photodissociation

DT Nguyen, A Fujihara - Origins of Life and Evolution of Biospheres, 2018 - Springer
Chiral recognition between tryptophan (Trp) and carbohydrates such as d-glucose (d-Glc),
methyl-α-d-glucoside (d-glucoside), d-maltose, and d-cellobiose in cold gas-phase cluster …