Distinguishing epimers through raman optical activity

Mutter, Shaun T. ORCID logoORCID: https://orcid.org/0000-0002-3995-0674, Zielinski, Francois, Johannessen, Christian, Popelier, Paul L. A. and Blanch, Ewan W. (2016) Distinguishing epimers through raman optical activity. The Journal of Physical Chemistry A, 120 (11) . pp. 1908-1916. ISSN 1089-5639 [Article] (doi:10.1021/acs.jpca.6b00358)

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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.

Item Type: Article
Research Areas: A. > School of Science and Technology > Natural Sciences
Item ID: 26149
Notes on copyright: 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.
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Depositing User: Shaun Mutter
Date Deposited: 07 Feb 2019 17:57
Last Modified: 10 Aug 2021 09:21
URI: https://eprints.mdx.ac.uk/id/eprint/26149

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