数字农科院2.0

Enhancement of color stability of cyanidin-3-O-glucoside by copigmentation with punicalagin: multispectral analysis and computer simulation

文献类型： 外文期刊

作者： Peng, Yijin;Zou, Wenhui;Yue, Qisheng;Yang, Yunxia;Xu, Zhenzhen;Fang, Zhongxiang;Zhou, Linyan

作者机构：

关键词： Copigmentation;Thermodynamic analysis;Quantum chemical calculation;Noncovalent interactions;Color stabilization

期刊名称： FOOD CHEMISTRY

ISSN： 0308-8146

年卷期： 2026 年 503 卷

页码：

收录情况： SCIE（2025版） ; ; EI（2025版）

摘要： This study investigated the copigmentation mechanism between punicalagin (PUN) and cyanidin-3-O-glucoside (C3G) using spectroscopic analysis, thermodynamic evaluation, and quantum chemical modeling. UV-VIS spectra revealed enhanced absorbance and red shifts upon increasing PUN concentration to the C3G solution, indicating intensified color. Copigmentation was most effective at acidic pH (3-6) and declined at higher temperatures. Thermodynamic parameters indicated a spontaneous, exothermic interaction between PUN and C3G, involving hydrogen bonding and it-it stacking. FT-IR, 1H NMR, and IGMH analyses confirmed these interactions and revealed that alpha-PUN formed more stable complexes with C3G than beta-PUN, due to cooperative aromatic-polar interactions and more favorable stacking geometry. Quantum calculations supported the greater stability of alpha-C3G/PUN complexes. Furthermore, PUN significantly improved the thermal, light, and storage stability of C3G. These findings provide molecular-level insights into anthocyanin-ellagitannin copigmentation and demonstrate the potential of PUN as a natural copigment for improving color stability in food systems.

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