TY - JOUR
T1 - Hydrogen bonds in crystalline D-alanine
T2 - diffraction and spectroscopic evidence for differences between
AU - Belo, Ezequiel A.
AU - Medeiros Pereira, Jose Enedilton
AU - Freire, Paulo T.C.
AU - Argyriou, Dimitri N.
AU - Eckert, Juergen
AU - Nunes Bordallo, Heloisa
PY - 2018/1/5
Y1 - 2018/1/5
N2 - 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.
AB - 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.
U2 - 10.1107/S2052252517015573
DO - 10.1107/S2052252517015573
M3 - Journal article
C2 - 29354266
SN - 2052-2525
VL - 5
SP - 6
EP - 12
JO - I U Cr J
JF - I U Cr J
IS - Part: 1
ER -