ArticleFrontiers in chemistry2019
Oenin/Syringic Acid Copigmentation: Insights From a Theoretical Study.
Article in Frontiers in chemistry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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5 citing papers in PubMed.
- Effect of dehydration of Syrah grape berries on the aging potential of fortified sweet wines in Ningxia of China.Food chemistry: X · 2025Article
- Theoretical Study of Cyanidin-Resveratrol Copigmentation by the Functional Density Theory.Molecules (Basel, Switzerland) · 2024Article
- Sulphur- and Selenium-for-Oxygen Replacement as a Strategy to Obtain Dual Type I/Type II Photosensitizers for Photodynamic Therapy.Molecules (Basel, Switzerland) · 2023Article
- Visual Representation of Red Wine Color: Methodology, Comparison and Applications.Foods (Basel, Switzerland) · 2023Article
- Combined Transcriptome and Metabolome analysis of Pitaya fruit unveiled the mechanisms underlying Peel and pulp color formation.BMC genomics · 2020Article
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4 authors.
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Abstract
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/syringic acid complex and suggests that the intermolecular hydrogen bonding, in which the hydroxyl-rich sugar moiety in oenin plays a key role, may be the determinant for the formation and nature of the copigmentation complex.
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