The isolation of anthocyanin monomers from blueberry pomace and their radical-scavenging mechanisms in DFT study

文献类型： 外文期刊

第一作者： Gui, Hailong

作者： Gui, Hailong;Tian, Jinlong;Jiang, Qiao;Zhang, Ye;Ren, Guangyu;Song, Baoge;Wang, Mingshuang;Saiwaidoula, Mihereban;Li, Bin;Dai, Jian;Dong, Wenjiang

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关键词： Blueberry pomace; Anthocyanin monomer; Isolation and identification; Density functional theory; Scavenge free radical capacity

期刊名称：FOOD CHEMISTRY （ 影响因子：8.8； 五年影响因子：8.6 ）

ISSN： 0308-8146

年卷期： 2023 年 418 卷

页码：

收录情况： SCI

摘要： This study explored the isolation of anthocyanin monomers using a medium- and high-pressure separation technique as a means to increase the added value of a by-product of the blueberry juice industry. Six anthocyanin monomers were isolated with a purity of 95% and identified as mono-galactoside, glucoside, and isomers of delphinidin, malvidin, and even malvidin-3-O-arabinoside, malvidin-3-(6 ''-acetyl)-O-glucoside by LC-MS and 1H NMR. Following the conformation search, the computer calculation manifested the active sites of six anthocyanins (C4 '-OH) and their stabilities based on the structural and energy parameters. The DPPH tests demonstrated that delphinidin glycoside's free radical scavenging ability (89.93 +/- 2.03 % and 86.50 +/- 3.16 %) was significantly higher than that of malvidin (80.39 +/- 1.30 % and 81.02 +/- 0.45 %), and that malvidin's capacity was improved by conjugation arabinoside (87.48 +/- 2.39 %) and acetylated glucoside (88.39 +/- 1.37 %), which was compatible with the computer calculation.

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