Computational aspects of anthocyanidins and anthocyanins: A review

A Sinopoli, G Calogero, A Bartolotta - Food chemistry, 2019 - Elsevier
Anthocyanins and anthocyanidins are polyphenolic compounds, responsible for the red and
blue colours in several fruits, flowers, and leaves. Their colorant properties, bioavailability …

Pyranoanthocyanins and other pyranoflavylium dyes: From chemistry towards novel applications

V Gomes, N Mateus, V de Freitas, J Oliveira, L Cruz - Dyes and Pigments, 2023 - Elsevier
Pyranoanthocyanins and pyranoflavylium analogous pigments occurring either naturally or
from the synthetic origin are a family of flavylium derivatives that have risen the attention …

Electrochemical evaluation of total antioxidant properties in red wine

H Wu - Journal of Food Measurement and Characterization, 2023 - Springer
The antioxidative capacity of food is a crucial functional indicator. Conventional methods for
measuring antioxidative capacity involve complicated reagents and tedious procedures. In …

[HTML][HTML] Exploring the impact of structural rigidification of amino-substituted bio-inspired flavylium dyes in DSSCs

AL Pinto, P Máximo, J Pina, G Calogero, CAT Laia… - Dyes and …, 2023 - Elsevier
Sharing with anthocyanins the 2-phenyl-1-benzopyrylium structural motif, flavylium
derivatives are strongly colored bio-inspired dyes that have been explored in dye-sensitized …

Investigating the Role of Odorant–Polymer Interactions in the Aroma Perception of Red Wine: A Density Functional Theory-Based Approach

TB Koch, AM Gabler, F Biener, J Kreißl… - Journal of Agricultural …, 2023 - ACS Publications
The aroma of red wine results from the intricate interplay between aroma compounds
(odorants) and complex polymers generated during fermentation. This study combines …

Computational investigation of explicit solvent effects and specific interactions of hydroxypyrene photoacids in acetone, DMSO, and water

N Sülzner, C Hättig - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
This work employs the correlated wavefunction-based methods ADC (2) and CC2 in
combination with the implicit solvent model COSMO to calculate the UV/Vis absorption and …

Highly fluorescent hybrid pigments from anthocyanin-and red wine pyranoanthocyanin-analogs adsorbed on sepiolite clay

GTM Silva, KM da Silva, CP Silva… - Photochemical & …, 2019 - Springer
Flavylium cations serve as models for the chemical and photochemical reactivity of
anthocyanins, the natural plant pigment responsible for many of the red, blue and purple …

Fluorescence and phosphorescence of Flavylium cation analogues of Anthocyanins

GTM Silva, CP Silva, KM Silva, RM Pioli, TS Costa… - Photochem, 2022 - mdpi.com
Fluorescence spectra and lifetimes were determined for 16 synthetic flavylium cation
analogues of anthocyanin plant pigments in dry acetonitrile acidified with trifluoroacetic acid …

A dual experimental–theoretical perspective on ESPT photoacids and their challenges ahead

N Sülzner, G Jung, P Nuernberger - Chemical Science, 2025 - pubs.rsc.org
Photoacids undergo an increase in acidity upon electronic excitation, enabling excited-state
proton transfer (ESPT) reactions. A multitude of compounds that allow ESPT has been …

A comparative study on the photophysical properties of anthocyanins and pyranoanthocyanins

K Phan, S De Meester, K Raes… - … A European Journal, 2021 - Wiley Online Library
Anthocyanins and pyranoanthocyanins are flavonoids that are present in various food
products (eg, fruit, vegetables, wine, etc.). The large chemical diversity amongst these …