Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering
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.
- Authors:
-
- Karlsruhe Inst. of Technology (KIT) (Germany). Inst. for Chemical Technology and Polymer Chemistry (ITCP)
- Karlsruhe Inst. of Technology (KIT) (Germany)
- Univ. of Wurzburg (Germany)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Univ. of Nevada, Las Vegas, NV (United States)
- Helmholtz-Zentrum Berlin (HZB), (Germany). German Research Centre for Materials and Energy
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- Heidelberg Univ. (Germany)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1594921
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 21; Journal Issue: 24; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Weinhardt, L., Benkert, A., Meyer, F., Blum, M., Hauschild, D., Wilks, R. G., Bär, M., Yang, W., Zharnikov, M., Reinert, F., and Heske, C. Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering. United States: N. p., 2019.
Web. doi:10.1039/c9cp02481f.
Weinhardt, L., Benkert, A., Meyer, F., Blum, M., Hauschild, D., Wilks, R. G., Bär, M., Yang, W., Zharnikov, M., Reinert, F., & Heske, C. Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering. United States. https://doi.org/10.1039/c9cp02481f
Weinhardt, L., Benkert, A., Meyer, F., Blum, M., Hauschild, D., Wilks, R. G., Bär, M., Yang, W., Zharnikov, M., Reinert, F., and Heske, C. Fri .
"Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering". United States. https://doi.org/10.1039/c9cp02481f. https://www.osti.gov/servlets/purl/1594921.
@article{osti_1594921,
title = {Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering},
author = {Weinhardt, L. and Benkert, A. and Meyer, F. and Blum, M. and Hauschild, D. and Wilks, R. G. and Bär, M. and Yang, W. and Zharnikov, M. and Reinert, F. and Heske, C.},
abstractNote = {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.},
doi = {10.1039/c9cp02481f},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 24,
volume = 21,
place = {United States},
year = {Fri May 31 00:00:00 EDT 2019},
month = {Fri May 31 00:00:00 EDT 2019}
}
Web of Science
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