Mechanism of deep eutectic solvents based extraction of phenolic and flavonoid compounds from peony petals

IF 5.6 1区农林科学 Q1 AGRICULTURAL ENGINEERING

Industrial Crops and Products Pub Date : 2024-10-31 DOI:10.1016/j.indcrop.2024.119947

Shenglin Wang , Jiahui Wei , Hanwen Ge , Yang Xu , Baoping Zhu , Yuanjun Yang , Ke Zhai , Bin Li , Huanfei Xu

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引用次数: 0

Abstract

Deep eutectic solvents (DES) have exhibited great potential in the extraction of active ingredients from flowers. In this study, ternary DESs were designed for the extraction of phenolic and flavonoid compounds from peony petals. When the molar ratio of ChCl:EG:U was 1:2:2, and the water content was 30 %, the maximum extraction yields of total phenolic content (TPC) and total flavonoid content (TFC) were achieved, reaching 109.30 mg GAE/g and 56.93 mg RE/g, respectively. Meanwhile, cellulose nanofibers were prepared. The relationship model with extraction yield as the target was established by multivariate analysis. The model indicated that the property parameters of the HBD had a significant impact on the extraction yields of TPC and TFC. At the molecular level, Density functional theory (DFT) was employed to explore the extraction mechanism. The analysis revealed that hydrogen bonding was the main interaction force. The maximum binding energy between DES and rutin was −89.03 kcal/mol. This study provides an efficient extraction solvent and insights into the mechanism of extracting the phenolic and flavonoid compounds from peony petals.

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基于深共晶溶剂的牡丹花瓣酚类和黄酮类化合物萃取机制

深共晶溶剂（DES）在从花卉中提取有效成分方面具有巨大潜力。本研究设计了三元 DES 用于提取牡丹花瓣中的酚类和类黄酮化合物。当 ChCl:EG:U 的摩尔比为 1:2:2，含水量为 30 % 时，总酚含量（TPC）和总黄酮含量（TFC）的萃取率达到最高，分别为 109.30 mg GAE/g 和 56.93 mg RE/g。同时制备了纤维素纳米纤维。通过多元分析建立了以提取率为目标的关系模型。该模型表明，HBD 的性质参数对 TPC 和 TFC 的提取率有显著影响。在分子水平上，采用密度泛函理论（DFT）探讨了萃取机理。分析表明，氢键是主要的相互作用力。DES 与芦丁之间的最大结合能为 -89.03 kcal/mol。这项研究提供了一种高效的萃取溶剂，并揭示了从牡丹花瓣中萃取酚类和黄酮类化合物的机理。

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来源期刊

Industrial Crops and Products 农林科学-农业工程

CiteScore

9.50

自引率

8.50%

发文量

1518

审稿时长

43 days

期刊介绍： Industrial Crops and Products is an International Journal publishing academic and industrial research on industrial (defined as non-food/non-feed) crops and products. Papers concern both crop-oriented and bio-based materials from crops-oriented research, and should be of interest to an international audience, hypothesis driven, and where comparisons are made statistics performed.