The isolation of anthocyanin monomers from blueberry pomace and their radical-scavenging mechanisms in DFT study
文献类型： 外文期刊
作者： Gui, Hailong 1 ; Dai, Jian 2 ; Tian, Jinlong 1 ; Jiang, Qiao 1 ; Zhang, Ye 1 ; Ren, Guangyu 1 ; Song, Baoge 1 ; Wang, Mingshuang 1 ; Saiwaidoula, Mihereban 1 ; Dong, Wenjiang 3 ; Li, Bin 1 ;
作者机构： 1.Shenyang Agr Univ, Coll Food Sci, Shenyang 110866, Liaoning, Peoples R China
2.Shenyang Agr Univ, Coll Land & Environm, Shenyang 110866, Liaoning, Peoples R China
3.Chinese Acad Trop Agr Sci, Spice & Beverage Res Inst, Wanning 571533, Hainan, Peoples R China
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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