MobiliTraIN’s scientific publications showcase research generated by the project’s doctoral candidates, supervisors and partner organisations. On this page you can explore peer-reviewed articles, open-access publications and preprints that contribute to advancing ion mobility-high resolution mass spectrometry (IM-HRMS) and its applications in biopharmaceutical analysis, biological omics and contaminant screening.
Niklas Geue, Gurpur Rakesh D. Prabhu, Eleonora Renzi, Caitlin Walton-Doyle, Gerard Meijer, Gert von Helden, Kevin Pagel
Analytical Chemistry, 2025
Summary: This open-access article investigates the gas-phase structures of caffeine and several isomeric caffeine metabolites using cryogenic gas-phase infrared spectroscopy supported by density functional theory. The study demonstrates how protomerism and tautomerism influence molecular identification and shows that gas-phase infrared spectroscopy can distinguish structurally similar metabolites relevant to mass spectrometry-based metabolomics.
DOI: https://doi.org/10.1021/acs.analchem.5c05164
Access: Open access
Licence: CC BY 4.0 or equivalent
Type: Peer-reviewed journal article
Nicklas Österlund, Jacob S. Jordan, Eleonora Renzi, Gergo Peter Szekeres, Kevin Pagel
Chemical Science, 2025
Summary: This open-access article shows how electrospray ionisation mass spectrometry can detect protein folding and assembly states during urea-induced denaturation. The study demonstrates that mass spectrometry can resolve folding intermediates that are difficult to capture with conventional ensemble-averaged optical spectroscopy, supporting a more detailed understanding of protein stability and conformational change.
DOI: https://doi.org/10.1039/D5SC05773F
Access: Open access
Licence: CC BY 3.0
Type: Peer-reviewed journal article
