Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00588364" target="_blank" >RIV/61388963:_____/24:00588364 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/24:73625529
Result on the web
<a href="https://doi.org/10.1039/D4CP02406K" target="_blank" >https://doi.org/10.1039/D4CP02406K</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d4cp02406k" target="_blank" >10.1039/d4cp02406k</a>
Alternative languages
Result language
angličtina
Original language name
Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis
Original language description
Structural analyses using Raman optical activity (ROA) spectroscopy conventionally rely on vibrational signals in the fingerprint region ranging from 100 to 1800 cm-1. Use of deuterium labelling to observe ROA signals in the C-D stretching region provides additional information about a local structure of large molecular systems. So far, the potential of C-D stretching ROA signals for structural analysis has rarely been explored. In the present work, we synthesized model deuterated glucose monosaccharides and studied their ROA properties by employing molecular dynamics and density functional theory to interpret the spectra. A good agreement between the simulated and experimental spectra is achieved when the proper conformer ratios are considered. This shows the usefulness of ROA spectroscopy assisted by deuterium labelling for stereochemical and conformational analysis.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA24-10558S" target="_blank" >GA24-10558S: Development of chiral vibrational spectroscopy for solid state systems</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
1463-9084
Volume of the periodical
26
Issue of the periodical within the volume
32
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
21568-21574
UT code for WoS article
001280795600001
EID of the result in the Scopus database
2-s2.0-85200314569