Nonlinearity and anthocyanin colour expression: A mathematical analysis of anthocyanin association kinetics and equilibria,Food Research International

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Nonlinearity and anthocyanin colour expression: A mathematical analysis of anthocyanin association kinetics and equilibria
Food Research International ( IF 7.0 ) Pub Date : 2024-03-11 , DOI: 10.1016/j.foodres.2024.114195
Rachael A Tindal ₁ , David W Jeffery ₁ , Richard A Muhlack ₁

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Anthocyanins are polyphenolic compounds that provide pigmentation in plants as reflected by pH-dependent structural transformations between the red flavylium cation, purple quinonoidal base, blue quinonoidal anion, colourless hemiketal, and pale yellow chalcone species. Thermodynamically stable conditions of hydrated plant cell vacuoles in vivo correspond to the colourless hemiketal, yet anthocyanin colour expression appears in an important variety of hues within plant organs such as flowers and fruit. Moreover, anthocyanin colour from grape berries is significant in red winemaking processes as it plays a crucial role in determining red wine quality. Here, nonlinear ordinary differential equations were developed to represent the evolution in concentration of various anthocyanin species in both monomeric (chemically reactive) and self-associated (temporally stable) forms for the first time, and simulations were verified experimentally. Results indicated that under hydrating conditions, anthocyanin pigmentation is preserved by self-association interactions, based on pigmented monomeric anthocyanins experiencing colour loss whereas colour-stable self-associated anthocyanins increase in concentration nonlinearly over time. In particular, self-association of the flavylium cation and the quinonoidal base was shown to influence colour expression and stability within flower petals and grape skins. This study ultimately characterises fundamental mechanisms of anthocyanin stabilisation and generates a quantitative framework for anthocyanin-containing systems.

中文翻译：

非线性和花青素颜色表达：花青素关联动力学和平衡的数学分析

花青素是多酚化合物，可在植物中提供色素沉着，如红色黄鎓阳离子、紫色醌基、蓝色醌基阴离子、无色半缩酮和浅黄色查耳酮物种之间的 pH 依赖性结构转变所反映。体内水合植物细胞液泡的热力学稳定条件对应于无色半缩酮，但花青素颜色表达在植物器官（例如花和果实）中以多种重要的色调出现。此外，葡萄浆果中的花青素颜色在红酒酿造过程中也很重要，因为它在决定红酒品质方面起着至关重要的作用。在这里，首次开发了非线性常微分方程来表示单体（化学反应性）和自缔合（时间稳定）形式的各种花青素种类浓度的演变，并通过实验验证了模拟。结果表明，在水合条件下，花青素色素通过自缔合相互作用得以保留，基于着色的单体花青素经历颜色损失，而颜色稳定的自缔合花青素浓度随时间非线性增加。特别是，黄鎓阳离子和醌基的自缔合被证明会影响花瓣和葡萄皮内的颜色表现和稳定性。这项研究最终描述了花青素稳定的基本机制，并为含花青素的系统生成了定量框架。

更新日期：2024-03-11

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