WFRF:(Oostenrijk Bart)
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Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy
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- Leroux, Juliette (författare)
- Univ Caen Normandie, CIMAP, CEA, CNRS,ENSICAEN, F-14050 Caen, France.;Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.
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- Kotobi, Amir (författare)
- Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.;Helmholtz Zentrum Hereon, Inst Surface Sci, D-21502 Geesthacht, Germany.
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- Hirsch, Konstantin (författare)
- Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindliche Rontgenspekt, D-12489 Berlin, Germany.
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- Univ Caen Normandie, CIMAP, CEA, CNRS,ENSICAEN, F-14050 Caen, France;Deutsch Elektronen Synchrotron DESY, Hamburg, Germany. Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.;Helmholtz Zentrum Hereon, Inst Surface Sci, D-21502 Geesthacht, Germany. (creator_code:org_t)
- Royal Society of Chemistry, 2023
- 2023
- Engelska.
- Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry. - 1463-9076 .- 1463-9084. ; 25:37, s. 25603-25618
- Tidskriftsartikel (refereegranskat)
Abstract
Ämnesord
Stäng
- Near-edge X-ray absorption mass spectrometry (NEXAMS) around the nitrogen and oxygen K-edges was employed on gas-phase peptides to probe the electronic transitions related to their protonation sites, namely at basic side chains, the N-terminus and the amide oxygen. The experimental results are supported by replica exchange molecular dynamics and density-functional theory and restricted open-shell configuration with single calculations to attribute the transitions responsible for the experimentally observed resonances. We studied five tailor-made glycine-based pentapeptides, where we identified the signature of the protonation site of N-terminal proline, histidine, lysine and arginine, at 406 eV, corresponding to N 1s & RARR; & sigma;*(NHx+) (x = 2 or 3) transitions, depending on the peptides. We compared the spectra of pentaglycine and triglycine to evaluate the sensitivity of NEXAMS to protomers. Separate resonances have been identified to distinguish two protomers in triglycine, the protonation site at the N-terminus at 406 eV and the protonation site at the amide oxygen characterized by a transition at 403.1 eV.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
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- Leroux, Juliette
- Kotobi, Amir
- Hirsch, Konstant ...
- Lau, Tobias
- Ortiz-Mahecha, C ...
- Maksimov, Dmitri ...
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- Meissner, Robert
- Oostenrijk, Bart
- Rossi, Mariana
- Schubert, Kaja
- Timm, Martin
- Trinter, Florian
- Unger, Isaak
- Zamudio-Bayer, V ...
- Schwob, Lucas
- Bari, Sadia
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