Oenin/Syringic Acid Copigmentation: Insights From a Theoretical Study

@article{Li2019OeninSyringicAC,
  title={Oenin/Syringic Acid Copigmentation: Insights From a Theoretical Study},
  author={Y. Li and Mario Prejan{\`o} and M. Toscano and N. Russo},
  journal={Frontiers in Chemistry},
  year={2019},
  volume={7}
}
  • Y. Li, Mario Prejanò, +1 author N. Russo
  • Published 2019
  • Chemistry, Medicine
  • Frontiers in Chemistry
  • On the basis of the dispersion-corrected density functional theory, a computational model is proposed to describe the oenin/syringic acid copigmentation and to explore the non-covalent interaction between the anthocyanin and the copigment in the framework of implicit solvent approach. The predicted binding free energy and visible spectrum shift of this copigmentation complex are in accordance with the experimental observations. The used model provides a good structural description of oenin… CONTINUE READING
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    References

    SHOWING 1-10 OF 69 REFERENCES
    Structural features of copigmentation of oenin with different polyphenol copigments.
    • 36
    • Highly Influential
    Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment.
    • 156
    • Highly Influential
    • PDF
    Copigmentation of malvidin-3-O-glucoside with five hydroxybenzoic acids in red wine model solutions: experimental and theoretical investigations.
    • 35
    • Highly Influential
    • PDF
    Noncovalent Interactions in the Catechol Dimer
    • 6
    • Highly Influential
    • PDF
    Highlights on Anthocyanin Pigmentation and Copigmentation: A Matter of Flavonoid π-Stacking Complexation To Be Described by DFT-D.
    • 62
    • Highly Influential
    Determination of the thermodynamic parameters of the complex formation between malvidin-3-O-glucoside and polyphenols. Copigmentation effect in red wines.
    • 28
    • Highly Influential
    Electronic and infrared vibrational analysis of cyanidin-quercetin copigment complex.
    • 27