Mainz 2026 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
MO: Fachverband Molekülphysik
MO 30: Poster – Molecular Spectroscopy
MO 30.16: Poster
Donnerstag, 5. März 2026, 17:00–19:00, Philo 1. OG
From Gas-phase to liquid phase: probing the electronic structure of amino acids with X-ray spectroscopy — •Juliette Leroux1,2, Nicolas Velasquez3, Jean-Yves Chesnel2, Markus Ilchen1, and Sadia Bari4 — 1Universität Hamburg, Hamburg, Germany — 2CIMAP, Caen, France — 3Fritz-Haber Institut, Berlin, Germany — 4Deutsches Elektronen Synchrotron, Hamburg, germany
The isolation of biomolecules in the gas phase eliminates all interactions with the solvent, allowing for stepwise control of these interactions by progressively increasing the number of bound water molecules, thereby bridging the gap between isolated molecules and aqueous conditions. Over the past three decades, experimental techniques have been developed to study hydrated species in the gas phase. Comparing the gas-phase structure with that of singly hydrated complexes provides insight into the influence of a single water molecule on molecular properties. In contrast, liquid-phase studies allow us to probe the influence of water as a bulk solvent and to approach conditions relevant to biology. X-ray radiation provides a local probe of the atomic environment through electronic excitations of core electrons to unoccupied molecular orbitals, thereby capturing both the electronic and geometric structure of the system under investigation. In this study, we combine X-ray absorption spectroscopy with tandem mass spectrometry to obtain information on the electronic structure of singly hydrated, protonated phosphotyrosine. We further explore the influence of the solvent on phosphotyrosine using liquid-jet photoelectron spectroscopy spanning the soft to tender X-ray domain.
Keywords: Electrospray ionisation; biomolecular structure; X-ray absorption; charge transfer