Journal Article

PUBDB-2024-07372

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structures of Gas-Phase Hydrated Phosphotyrosine Revealed by Soft X-ray Action Spectroscopy

Leroux, J. (Corresponding author)Extern* ; Chesnel, J.-Y.Extern* ; Ortiz-Mahecha, C. ; Nair, A.Extern* ; Oostenrijk, B. H.Extern*DESY* ; Pille, L.Extern*DESY* ; Trinter, F.Extern*XFEL.EU* ; Schwob, L.XFEL.EU*DESY* ; Bari, S. (Corresponding author)DESY*

2025
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/chem.202403665  doi:10.3204/PUBDB-2024-07372

Abstract: SectionsPDFToolsShareGraphical AbstractGas-phase near-edge X-ray absorption mass spectrometry (NEXAMS) reveals the effects of a single water molecule on protonated phosphotyrosine at the carbon and oxygen K-edges. The water molecule bonds with the phosphate group, altering the spectral features. Comparisons with density functional theory calculations identify three potential hydrated structures.Description unavailableAbstractGas-phase near-edge X-ray absorption mass spectrometry (NEXAMS) was employed at the carbon and oxygen K-edges to probe the influence of a single water molecule on the protonated phosphotyrosine molecule. The results of the photodissociation experiments revealed that the water molecule forms two bonds, with the phosphate group and another chemical group. By comparing the NEXAMS spectra at the carbon and oxygen K-edges with density functional theory calculations, we attributed the electronic transitions responsible for the observed resonances, especially the transitions due to the presence of the water molecule. We showed that the water molecule leads to a specific spectral feature in the partial ion yield of hydrated fragments at 536.4 eV. Moreover, comparing the NEXAMS spectra with the calculated structures allowed us to identify three possible structures for singly hydrated phosphotyrosine that agree with the observed fragmentation and resonances.

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Contributing Institute(s):

1. Biomoleküle in Gasphase (FS-BIG)

Research Program(s):

1. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)
2. FS-Proposal: I-20230427 (I-20230427) (I-20230427)
3. DFG project G:(GEPRIS)509471550 - Dynamik photoionisations-induzierter Prozesse in laser-präparierten Molekülen in der Gasphase und der wässrigen Phase (509471550) (509471550)
4. AIM, DFG project G:(GEPRIS)390715994 - EXC 2056: CUI: Advanced Imaging of Matter (390715994) (390715994)
5. HIDSS-0002 - DASHH: Data Science in Hamburg - Helmholtz Graduate School for the Structure of Matter (2019_IVF-HIDSS-0002) (2019_IVF-HIDSS-0002)

Experiment(s):

1. PETRA Beamline P04 (PETRA III)

Appears in the scientific report 2025

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Database coverage:
; ; ; Chemical Reactions ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; Index Chemicus ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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