Document Type
Article
Publication Date
5-31-2019
Publication Title
Physical Chemistry Chemical Physics
Volume
21
Issue
24
First page number:
13207
Last page number:
13214
Abstract
The local valence orbital structure of solid glycine, diglycine, and triglycine is studied using soft X-ray emission spectroscopy (XES), resonant inelastic soft X-ray scattering (RIXS) maps, and spectra calculations based on density-functional theory. Using a building block approach, the contributions of the different functional groups of the peptides are separated. Cuts through the RIXS maps furthermore allow monitoring selective excitations of the amino and peptide functional units, leading to a modification of the currently established assignment of spectral contributions. The results thus paint a new-and-improved picture of the peptide bond, enhance the understanding of larger molecules with peptide bonds, and simplify the investigation of such molecules in aqueous environment.
Keywords
X ray emission spectroscopy; Resonant inelastic soft x ray scattering; Spectra calculations; Density functional theory; Peptides
Disciplines
Amino Acids, Peptides, and Proteins | Chemicals and Drugs | Medicine and Health Sciences
File Format
File Size
4470 KB
Language
English
Rights
IN COPYRIGHT. For more information about this rights statement, please visit http://rightsstatements.org/vocab/InC/1.0/
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.
Repository Citation
Weinhardt, L.,
Benkert, A.,
Meyer, F.,
Blum, M.,
Hauschild, D.,
Wilks, R. G.,
Bär, M.,
Yang, W.,
Zharnikov, M.,
Reinert, F.,
Heske, C.
(2019).
Local Electronic Structure of the Peptide Bond Probed by Resonant Inelastic Soft X-ray Scattering.
Physical Chemistry Chemical Physics, 21(24),
13207-13214.
http://dx.doi.org/10.1039/C9CP02481F