TY  - JOUR
AU  - Leroux, Juliette
AU  - Chesnel, Jean-Yves
AU  - Ortiz-Mahecha, Carlos
AU  - Nair, Aarathi
AU  - Oostenrijk, Bart Hendrik
AU  - Pille, Laura
AU  - Trinter, Florian
AU  - Schwob, Lucas
AU  - Bari, Sadia
TI  - Structures of Gas-Phase Hydrated Phosphotyrosine Revealed by Soft X-ray Action Spectroscopy
JO  - Chemistry - a European journal
VL  - 31
IS  - 10
SN  - 0947-6539
CY  - Weinheim
PB  - Wiley-VCH
M1  - PUBDB-2024-07372
SP  - e202403665
PY  - 2025
AB  - 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. 
LB  - PUB:(DE-HGF)16
C6  - pmid:39757128
UR  - <Go to ISI:>//WOS:001401184000001
DO  - DOI:10.1002/chem.202403665
UR  - https://bib-pubdb1.desy.de/record/619085
ER  -