Tuning color variation in grape anthocyanins at the molecular scale

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33148617" target="_blank" >RIV/61989592:15310/13:33148617 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.foodchem.2013.07.006" target="_blank" >http://dx.doi.org/10.1016/j.foodchem.2013.07.006</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.foodchem.2013.07.006" target="_blank" >10.1016/j.foodchem.2013.07.006</a>

Result language
angličtina
Original language name
Tuning color variation in grape anthocyanins at the molecular scale
Original language description
Anthocyanins are the main grape pigments. Due to their aromatic cyclic arrangements, they are able to absorb the radiation in the low energy range of the visible spectrum. In the fruit of Vitis vinifera L, the five main anthocyanidins (cyanidin, peonidin, delphinidin, petunidin and malvidin) are present as 3-o-lucosides, as well as their acetyl, p-coumaroyl and caffeoyl ester forms. Despite the huge number of experimental studies dedicated to the anthocyanin profile analysis of grapes and wines, the complete theoretical elucidation of the optical properties of grape anthocyanins is missing. The present work carried out this task through quantum chemistry calculations based on time-dependent density functional theory (TD-DFT), compared to experimental spectra. The differences in visible absorption spectra between the most common grape anthocyanins were rationalized according to B-ring substitution, glucosylation and esterification. A particular attention was given to the intra-molecular
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/ED2.1.00%2F03.0058" target="_blank" >ED2.1.00/03.0058: Regional Centre of Advanced Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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