skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers

Abstract

Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.

Authors:
ORCiD logo; ; ; ; ORCiD logo; ORCiD logo
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE; Universities/Institutions
OSTI Identifier:
1413544
Alternate Identifier(s):
OSTI ID: 1419750
Report Number(s):
LA-UR-17-21082
Journal ID: ISSN 2052-2525; IUCRAJ; PII: S2052252517015573
Grant/Contract Number:  
AC02-05CH11231; AC52-06NA25396
Resource Type:
Published Article
Journal Name:
IUCrJ
Additional Journal Information:
Journal Name: IUCrJ Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2052-2525
Publisher:
International Union of Crystallography (IUCr)
Country of Publication:
United Kingdom
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Biological Science; Inorganic and Physical Chemistry

Citation Formats

Belo, Ezequiel A., Pereira, Jose E. M., Freire, Paulo T. C., Argyriou, Dimitri N., Eckert, Juergen, and Bordallo, Heloisa N. Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers. United Kingdom: N. p., 2018. Web. doi:10.1107/S2052252517015573.
Belo, Ezequiel A., Pereira, Jose E. M., Freire, Paulo T. C., Argyriou, Dimitri N., Eckert, Juergen, & Bordallo, Heloisa N. Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers. United Kingdom. doi:10.1107/S2052252517015573.
Belo, Ezequiel A., Pereira, Jose E. M., Freire, Paulo T. C., Argyriou, Dimitri N., Eckert, Juergen, and Bordallo, Heloisa N. Mon . "Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers". United Kingdom. doi:10.1107/S2052252517015573.
@article{osti_1413544,
title = {Hydrogen bonds in crystalline D -alanine: diffraction and spectroscopic evidence for differences between enantiomers},
author = {Belo, Ezequiel A. and Pereira, Jose E. M. and Freire, Paulo T. C. and Argyriou, Dimitri N. and Eckert, Juergen and Bordallo, Heloisa N.},
abstractNote = {Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.},
doi = {10.1107/S2052252517015573},
journal = {IUCrJ},
number = 1,
volume = 5,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1107/S2052252517015573

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share: