Distinguishing epimers through raman optical activity

Article

Mutter, S., Zielinski, F., Johannessen, C., Popelier, P. and Blanch, E. 2016. Distinguishing epimers through raman optical activity. The Journal of Physical Chemistry A. 120 (11), pp. 1908-1916. https://doi.org/10.1021/acs.jpca.6b00358
TypeArticle
TitleDistinguishing epimers through raman optical activity
AuthorsMutter, S., Zielinski, F., Johannessen, C., Popelier, P. and Blanch, E.
Abstract

The Raman optical activity spectra of the epimers β-d-glucose and β-d-galactose, two monosaccharides of biological importance, have been calculated using molecular dynamics combined with a quantum mechanics/molecular mechanics approach. Good agreement between theoretical and experimental spectra is observed for both monosaccharides. Full band assignments have been carried out, which has not previously been possible for carbohydrate epimers. For the regions where the spectral features are opposite in sign, the differences in the vibrational modes have been noted and ascribed to the band sign changes.

PublisherAmerican Chemical Society
JournalThe Journal of Physical Chemistry A
ISSN1089-5639
Electronic1520-5215
Publication dates
Online01 Mar 2016
Print24 Mar 2016
Publication process dates
Deposited07 Feb 2019
Accepted28 Feb 2016
Output statusPublished
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Copyright Statement

Copyright © 2016 American Chemical Society. ACS AuthorChoice - This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.

Digital Object Identifier (DOI)https://doi.org/10.1021/acs.jpca.6b00358
LanguageEnglish
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