Electronic Structure and Solvation Effects from Core and Valence Photoelectron Spectroscopy of Serum Albumin - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Accéder directement au contenu
Article Dans Une Revue International Journal of Molecular Sciences Année : 2022

Electronic Structure and Solvation Effects from Core and Valence Photoelectron Spectroscopy of Serum Albumin

John D Bozek
Frank Wien
Christophe Nicolas

Résumé

X-ray photoelectron spectroscopy of bovine serum albumin (BSA) in a liquid jet is used to investigate the electronic structure of a solvated protein, yielding insight into charge transfer mechanisms in biological systems in their natural environment. No structural damage was observed in BSA following X-ray photoelectron spectroscopy in a liquid jet sample environment. Carbon and nitrogen atoms in different chemical environments were resolved in the X-ray photoelectron spectra of both solid and solvated BSA. The calculations of charge distributions demonstrate the difficulty of assigning chemical contributions in complex systems in an aqueous environment. The high-resolution X-ray core electron spectra recorded are unchanged upon solvation. A comparison of the valence bands of BSA in both phases is also presented. These bands display a higher sensitivity to solvation effects. The ionization energy of the solvated BSA is determined at 5.7 ± 0.3 eV. Experimental results are compared with theoretical calculations to distinguish the contributions of various molecular components to the electronic structure. This comparison points towards the role of water in hole delocalization in proteins.

Domaines

Matériaux
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Dates et versions

cea-03746660 , version 1 (05-08-2022)

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Jean-Philippe Renault, Lucie Huart, Aleksandar R Milosavljević, John D Bozek, Jerôme Palaudoux, et al.. Electronic Structure and Solvation Effects from Core and Valence Photoelectron Spectroscopy of Serum Albumin. International Journal of Molecular Sciences, 2022, 23 (15), pp.8227. ⟨10.3390/ijms23158227⟩. ⟨cea-03746660⟩
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