Acidified glycerol as a one-step efficient green extraction and preservation strategy for anthocyanin from blueberry pomace: New insights into extraction and stability protection mechanism with molecular dynamic simulation

Xizhe Fu; Yinglin Du; Ligen Zou; Xingquan Liu; Yihan He; Yanqun Xu; Li Li; Zisheng Luo

doi:10.1016/j.foodchem.2022.133226

Acidified glycerol as a one-step efficient green extraction and preservation strategy for anthocyanin from blueberry pomace: New insights into extraction and stability protection mechanism with molecular dynamic simulation

Food Chem. 2022 Oct 1:390:133226. doi: 10.1016/j.foodchem.2022.133226. Epub 2022 May 16.

Authors

Xizhe Fu¹, Yinglin Du², Ligen Zou³, Xingquan Liu⁴, Yihan He¹, Yanqun Xu⁵, Li Li¹, Zisheng Luo⁶

Affiliations

¹ College of Biosystems Engineering and Food Science, Key Laboratory of Agro-Products Postharvest Handling of Ministry of Agriculture and Rural Affairs, China Zhejiang Key Laboratory for Agri-Food Processing, National-Local Joint Engineering Laboratory of Intelligent Food Technology and Equipment, China Zhejiang University, Hangzhou 310058, People's Republic of China.
² College of Food Science & Nutritional Engineering, China Agricultural University, Beijing 100083, China.
³ Hangzhou Academy of Agricultural Sciences, Hangzhou 310024, People's Republic of China.
⁴ School of Agriculture and Food Sciences, Zhejiang Agriculture and Forestry University, Hangzhou 311300, People's Republic of China.
⁵ College of Biosystems Engineering and Food Science, Key Laboratory of Agro-Products Postharvest Handling of Ministry of Agriculture and Rural Affairs, China Zhejiang Key Laboratory for Agri-Food Processing, National-Local Joint Engineering Laboratory of Intelligent Food Technology and Equipment, China Zhejiang University, Hangzhou 310058, People's Republic of China; Ningbo Research Institute, Zhejiang University, Ningbo 315100, People's Republic of China.
⁶ College of Biosystems Engineering and Food Science, Key Laboratory of Agro-Products Postharvest Handling of Ministry of Agriculture and Rural Affairs, China Zhejiang Key Laboratory for Agri-Food Processing, National-Local Joint Engineering Laboratory of Intelligent Food Technology and Equipment, China Zhejiang University, Hangzhou 310058, People's Republic of China; Ningbo Research Institute, Zhejiang University, Ningbo 315100, People's Republic of China; Fuli Institute of Food Science, Hangzhou 310058, People's Republic of China. Electronic address: luozisheng@zju.edu.cn.

PMID: 35597084
DOI: 10.1016/j.foodchem.2022.133226

Abstract

In present work, green and efficient glycerol solvent system was coupled with pulse-probe ultrasonication for one-step extraction and preservation of anthocyanin from blueberry pomace. Under optimal conditions (40 min, 174 W, 18.6 mL/g, 20% of glycerol fraction), extraction yield was 23.07 ± 0.09 mg C3GE/g DW. The extracted anthocyanins were characterized by UPLC-Triple-TOF/MS and 10 anthocyanins compounds were tentatively identified. Stability of anthocyanins influenced by solvents were evaluated in varying temperature, pH and light exposure conditions, demonstrating higher stability of anthocyanins in glycerol solvent system than methanol one. Furthermore, mechanism of high efficiency extraction and stability of anthocyanin using glycerol were investigated by quantum chemical calculation with molecular dynamic simulation. Larger solvent accessible surface area (127.16 nm²), hydrogen bonds number (228.16) and hydrogen bonds lifetime (4.35 ps), and lower intermolecular interaction energy (-1080.48 kJ/mol) between anthocyanin and glycerol were responsible for better extraction and preservation of anthocyanins using glycerol system.

Keywords: Anthocyanins; Glycerol; Molecular dynamic simulation; Stability; UPLC-Triple-TOF/MS characterization.

MeSH terms

Anthocyanins* / chemistry
Blueberry Plants* / chemistry
Glycerol
Molecular Dynamics Simulation
Plant Extracts / chemistry
Solvents / chemistry

Substances

Anthocyanins
Plant Extracts
Solvents
Glycerol