Application of green deep eutectic solvents for anthocyanins extraction from grape pomace: Optimization, stability, antioxidant activity, and molecular dynamic simulation

文献类型： 外文期刊

第一作者： Li, Zhongxu

作者： Li, Zhongxu;Cui, Ruiguo;Liu, Weiwei;Wang, Mengshi;Du, Bin;Song, Lijun;Liu, Fengjuan;Song, Lijun;Li, Lilang

作者机构：

关键词： Grape pomace; Anthocyanins; Deep eutectic solvent; Stability; Molecular dynamics simulation

期刊名称：LWT-FOOD SCIENCE AND TECHNOLOGY （ 影响因子：6.6； 五年影响因子：6.9 ）

ISSN： 0023-6438

年卷期： 2024 年 211 卷

页码：

收录情况： SCI

摘要： The wine-making industry produces a large amount of grape pomace, which is rich in anthocyanins. To avoid wasting these resources, choline chloride: lactic acid (molar ratio of 1:2) (DES-1) was selected as the optimal solvent. The optimal extraction conditions were as follows: temperature 60 degrees C, time 60 min, water content 25%. The anthocyanins yield was 5.73 mg (cyanidin-3-glucoside) equivalent/g under the optimal conditions, which was significantly higher than that obtained by DES-3 (Choline chloride: 1,4 butanediol), DES-5 (Choline chloride: 1,2 propylene glycol), and ethanol. The DES-1 extract showed significant higher color stability and antioxidant activities compared with the anthocyanins extracted by DES-3, DES-5, and ethanol. A total of eight individual anthocyanin compounds were identified in each extract, with delphinidin 3-O-glucoside, peonidin 3-O- glucoside, petunidin, and delphinidin as the dominant compounds. Molecular dynamics simulation confirmed that DES-1 system showed a larger average number of hydrogen bonds (11.63), average lifetime of hydrogen bonds (364.21 ps) and with a reduced total interaction energy (-706.82 kJ/moL), thus improving the extraction efficiency and stability of anthocyanins. This study would provide new protocols for the extraction of anthocyanins from grape pomace.

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