Deep eutectic solvents-based extraction of organic acids from <italic style="font-style: italic">Angelica sinensis</italic>： process optimization and mechanistic insights

CHEN Liyuan; CHEN Zhisong; QIAN Jiafen; CHEN Xinli; CHANG Weiyu; WU Hui

doi:10.6039/j.issn.1001-0408.2025.22.06

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Deep eutectic solvents-based extraction of organic acids from Angelica sinensis： process optimization and mechanistic insights

更新时间：2025-11-25

- Deep eutectic solvents-based extraction of organic acids from Angelica sinensis： process optimization and mechanistic insights
- ZHONGGUO YAOFANG Vol. 36, Issue 22, Pages: 2783-2789(2025)
- 作者机构：
  
  1.昆明医科大学第一附属医院临床药学中心，昆明　650032
  2.昆明医科大学第一附属医院心脏内二科，昆明　650032
- 作者简介：
- 基金信息：
- DOI：10.6039/j.issn.1001-0408.2025.22.06
  CLC： R284.2
- Received：13 May 2025，
  
  Revised：2025-10-15，
  
  Accepted：20 October 2025，
  
  Published：30 November 2025
- 稿件说明：
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陈丽元,陈志松,钱加芬,等.当归有机酸的低共熔溶剂提取工艺优化及机制研究 ^Δ[J].中国药房,2025,36(22):2783-2789.

CHEN Liyuan,CHEN Zhisong,QIAN Jiafen,et al.Deep eutectic solvents-based extraction of organic acids from Angelica sinensis： process optimization and mechanistic insights[J].ZHONGGUO YAOFANG,2025,36(22):2783-2789.
陈丽元,陈志松,钱加芬,等.当归有机酸的低共熔溶剂提取工艺优化及机制研究 ^Δ[J].中国药房,2025,36(22):2783-2789. DOI： 10.6039/j.issn.1001-0408.2025.22.06.

CHEN Liyuan,CHEN Zhisong,QIAN Jiafen,et al.Deep eutectic solvents-based extraction of organic acids from Angelica sinensis： process optimization and mechanistic insights[J].ZHONGGUO YAOFANG,2025,36(22):2783-2789. DOI： 10.6039/j.issn.1001-0408.2025.22.06.

摘要

目的

优化当归有机酸的低共熔溶剂（DESs）提取工艺，并进行表征、抗氧化活性评价和提取机制分析。

方法

采用基于片段活度系数的真实溶剂化模拟的类导体屏蔽模型（COSMO-SAC）筛选DESs种类；以总有机酸含量为响应值，通过单因素实验和Box-Behnken响应面法对提取工艺进行优化。以当归饮片和（或）当归甲醇提取物为参照，利用扫描电子显微镜、傅里叶变换红外光谱（FTIR）仪对产物进行表征，并进行1，1-二苯基-2-苦肼基（DPPH）、2，2′-联氮-双（3-乙基苯并噻唑啉-6-磺酸）（ABTS）自由基清除能力检测。利用量子化学密度泛函理论分析DESs对阿魏酸、绿原酸的提取机制。结果与

结论

最适DESs为氧化胆碱-丙二醇；当归有机酸最优提取工艺为氯化胆碱-丙二醇摩尔比为1∶1、DESs含水量70%、料液比1∶10、加热温度57 ℃、加热搅拌时间8 min。3次验证实验的总有机酸含量为2.92 mg/g，与预测值（2.91 mg/g）的相对误差为0.34%。与当归饮片、甲醇提取物相比，DESs提取物的团粒结构几乎消失，表面有类似肠壁的褶皱；与甲醇提取物相比，其FTIR特征峰强度及峰面积积分更高，对DPPH、ABTS自由基的清除能力均更强。DESs对当归有机酸的提取，是极性匹配、氢键作用及结构适配共同作用的结果。

Abstract

OBJECTIVE

To optimize the extraction process of organic acids from

Angelica sinensis

using deep eutectic solvents （DESs）， and conduct characterization， antioxidant activity evaluation， and extraction mechanism analysis.

METHODS

The conductor-like screening model for realistic solvation with segment activity coefficients （COSMO-SAC） was employed to screen the types of DESs. With total organic acid content as the response value， single-factor experiments and Box-Behnken response-surface methodology were used to optimize the extraction conditions. Using

A. sinensis

decoction pieces and/or

A. sinensis

methanol extract as references， scanning electron microscope and Fourier transform infrared spectrometer （FTIR） were applied to characterize the products. Additionally， the 1，1-diphenyl-2-picrylhydrazyl （DPPH） and 2，2′-azino-

bis

（3-ethylbenzothiazoline-6-sulfonic acid）（ABTS） free radical scavenging capacities were determined. Density functional theory （DFT） was used to analyze the extraction mechanism of ferulic acid and chlorogenic acid by the DESs.

RESULTS &

CONCLUSIONS

The optimal DESs was choline chloride-propanediol. The optimal extraction conditions for organic acids from

A. sinensis

were as follows： choline chloride-propanediol molar ratio of 1∶1， DESs water content of 70%， solid-liquid ratio of 1∶10， heating temperature of 57 ℃， and heating and stirring time of 8 min. In three validation experiments， the total organic acid content w

as 2.92 mg/g， yielding a relative error of 0.34% compared to the predicted value （2.91 mg/g）. Compared with

A. sinensis

decoction pieces and methanol extracts， the agglomerated structure of the DESs extract powder almost disappeared， showing the presence of lamellar structures similar to those of the intestinal wall. Compared with the methanol extract， the DES extract exhibited higher FTIR characteristic peak intensity and peak area integration， as well as stronger scavenging capacities against DPPH and ABTS free radicals. The extraction of organic acids from

A. sinensis

by DESs is the result of the combined effects of polarity matching， hydrogen bonding， and structural adaptation.

关键词

Keywords

references

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Deep eutectic solvents-based extraction of organic acids from Angelica sinensis： process optimization and mechanistic insights

DOI：10.6039/j.issn.1001-0408.2025.22.06

摘要

Abstract

关键词

Keywords

references