Accès ouvert
2026
article
OpenAlex
Lara van Tetering, Jelle L. Schuurman, Giel Berden, Bruno Martı́nez−Haya et autres
ABSTRACT Fluoroquinolone antibiotics are compounds containing multiple basic sites, which allows for the formation of multiple protonation isomers (protomers) in acid-base reactions. In mass spectrometric analyses using electrospray ionization (ESI), the actual site of protonation affects the gas-phase structure and reactivity of …
nl, es
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2026
article
OpenAlex
Alexandra Tsybizova, Vladimir Gorbachev, Miriam Hecht, Lara van Tetering et autres
Gas-phase ligand dissociation energies of Cu(I) bis(oxazoline) complexes exhibit large and persistent discrepancies between experiment and theory. These deviations have been interpreted as fundamental limitations of density-functional and correlated wave function approaches, despite the absence of direct structural validation of the experimentally …
fr, ch, nl, gb
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2026
article
OpenAlex
Philipp Weber, Maximilian E. Huber, Adela Ceman, Jonathan Martens et autres
Infrared multiple-photon dissociation (IRMPD) spectra in the 800-1750 cm-1 range of a set of pseudo-octahedrally coordinated manganese complexes {[Mn(dgpy)2][PF6]x}n+ (x = 0, 2, 3; n = 1, 2, 3; dgpy = 2,6-diguanidylpyridine) isolated in an ion trap are presented. The complexes contain …
de, nl, gb
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2026
article
OpenAlex
Teun van Wieringen, Agisilaos Chantzis, Jos Oomens, Giel Berden et autres
Five-membered heterocyclic molecules with an N-O bond are emerging as active ingredients in the agrochemical and pharmaceutical industry. Characterization of these molecules in biological matrices is commonly done using liquid chromatography and mass spectrometry, which is not always diagnostic for the exact …
nl, gb, ch
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Accès ouvert
2026
article
OpenAlex
Lara van Tetering, Jelle L. Schuurman, Jens Soltwisch, Klaus Dreisewerd et autres
Ciprofloxacin is a widely studied fluoroquinolone antibiotic and serves here as a relevant test case for molecules exhibiting multiple protonation isomers (protomers) with abundances that vary depending on the ionization conditions using mass spectrometry (MS). Understanding the protonation behavior of such molecules …
nl, de, vn, ca, es
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Accès ouvert
2026
article
OpenAlex
Jean‐Xavier Bardaud, Yining Jiang, Carine Clavaguéra, Chantal Houée‐Levin et autres
S‐adenosyl methionine (SAM) is a key biomolecule in cellular processes, acting as a primary methyl donor, having different roles in enzymatic reactions and being used as a scavenger of hydroxyl radicals. Due to the role played by SAM and its antioxidant properties, …
fr, nl
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2026
article
OpenAlex
Isabella Ogilvy, Vladimir Gorbachev, J Martens, Jos Oomens et autres
In-operando electrospray ionization mass spectrometry (ESI-MS) is a powerful tool for investigating reaction mechanisms by monitoring ions directly from the reacting solution in real time. However, observations based on m / z alone often do not constrain mechanistic assignments uniquely. Here we …
ch, nl, gb, fr
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2026
article
OpenAlex
Christopher A. Zarzana, Teun Van Wieringen, Jelle Schuurman, Brittany Hodges et autres
Elucidation of gas-phase fragmentation mechanisms of fuel cycle molecules is critical for the development of untargeted analysis tools for understanding radiation chemistry in complex systems. The collision-induced dissociation (CID) fragmentation of protonated N,N,N',N'-tetraoctyldiglycolamide (TODGA) was studied using infrared ion spectroscopy (IRIS) in …
us, nl
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Accès ouvert
2026
article
OpenAlex
Justin Kai‐Chi Lau, Yinan Li, Kenny K.Y. Lun, J Martens et autres
High Resolution Image Download MS PowerPoint Slide The formation and dissociation of the [HYG] •+ radical cation derived from [Cu(terpy)(HYG)] •2+ have been examined and compared with the chemistries of [RYG] •+ and [GYG] •+ available in the literature. These peptide radical …
ca, cn, hk, nl
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Accès ouvert
2026
article
OpenAlex
Corentin Rossi, Anne P. Rasmussen, Jean‐Christophe Loison, Bérenger Gans et autres
The hydration of the phenylium ion (C 6 H 5 + ) is investigated to determine whether the most abundant product structure is best described as an oxonium (O‐protonated phenol) or carbenium (ring‐protonated phenol) ion. Using a combination of infrared multiple‐photon dissociation …
fr, dk, nl, it
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Accès ouvert
2026
article
OpenAlex
Corentin Rossi, Anne P. Rasmussen, Jean‐Christophe Loison, Bérenger Gans et autres
The Cover Feature shows how spectral fingerprints can probe atomic rearrangements after a reactive collision. Using phenylium hydration as a case study, U. Jacovella and co-workers reveal in their Research Article (DOI: 10.1002/ceur.70232) whether the additional proton in the phenol-like product binds …
fr, dk, nl, it
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2026
article
OpenAlex
Hikaru Takano, Daniël Visser, Lara van Tetering, Teun van Wieringen et autres
This study establishes a robust framework for the structural elucidation of trace-level impurities in organic electronic materials, where authentic reference standards are often unavailable. We present the application of infrared ion spectroscopy (IRIS) in this domain, introducing a fragment-centric strategy that enables …
us, nl, jp, gb
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