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@ARTICLE{Leroux:619085,
      author       = {Leroux, Juliette and Chesnel, Jean-Yves and Ortiz-Mahecha,
                      Carlos and Nair, Aarathi and Oostenrijk, Bart Hendrik and
                      Pille, Laura and Trinter, Florian and Schwob, Lucas and
                      Bari, Sadia},
      title        = {{S}tructures of {G}as-{P}hase {H}ydrated {P}hosphotyrosine
                      {R}evealed by {S}oft {X}-ray {A}ction {S}pectroscopy},
      journal      = {Chemistry - a European journal},
      volume       = {31},
      number       = {10},
      issn         = {0947-6539},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {PUBDB-2024-07372},
      pages        = {e202403665},
      year         = {2025},
      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.},
      cin          = {FS-BIG},
      ddc          = {660},
      cid          = {I:(DE-H253)FS-BIG-20220318},
      pnm          = {633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / FS-Proposal: I-20230427
                      (I-20230427) / DFG project G:(GEPRIS)509471550 - Dynamik
                      photoionisations-induzierter Prozesse in laser-präparierten
                      Molekülen in der Gasphase und der wässrigen Phase
                      (509471550) / AIM, DFG project G:(GEPRIS)390715994 - EXC
                      2056: CUI: Advanced Imaging of Matter (390715994) /
                      HIDSS-0002 - DASHH: Data Science in Hamburg - Helmholtz
                      Graduate School for the Structure of Matter
                      $(2019_IVF-HIDSS-0002)$},
      pid          = {G:(DE-HGF)POF4-633 / G:(DE-H253)I-20230427 /
                      G:(GEPRIS)509471550 / G:(GEPRIS)390715994 /
                      $G:(DE-HGF)2019_IVF-HIDSS-0002$},
      experiment   = {EXP:(DE-H253)P-P04-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:39757128},
      UT           = {WOS:001401184000001},
      doi          = {10.1002/chem.202403665},
      url          = {https://bib-pubdb1.desy.de/record/619085},
}