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一种用于优化超声辅助深共晶溶剂提取野牡丹化学成分条件的 RSM-BPNN-GA 混合方法及提取机制研究。

A hybrid RSM-BPNN-GA approach for optimizing ultrasound-assisted deep eutectic solvents extraction conditions for Mesona chinensis benth. and investigation of the extraction mechanism.

机构信息

Ministry of Science and Technology, West China Xiamen Hospital of Sichuan University, Xiamen, P. R. China.

College of Environment and Public Health, Xiamen Huaxia University, Xiamen, Fujian, P. R. China.

出版信息

J Food Sci. 2024 Sep;89(9):5531-5546. doi: 10.1111/1750-3841.17249. Epub 2024 Aug 16.

DOI:10.1111/1750-3841.17249
PMID:39150703
Abstract

Mesona chinensis Benth (MCB) is the source of the most commonly consumed herbal beverage in Southeast Asia and China and is thus an economically important agricultural plant. Therefore, optimal extraction and production procedures have significant commercial value. Currently, in terms of green chemistry, researchers are investigating the use of greener solvents and innovative extraction techniques to increase extract yields. This study represents the first investigation of the optimal conditions for ultrasound-assisted deep eutectic solvent (DES) extraction from MCB. The major factors influencing ultrasound-assisted DESs were optimized using the response surface methodcentral-genetic algorithm-back propagation neural networks. This model demonstrated superior predictability and accuracy compared to the RSM model. Various types of DESs were used for the extraction of MCB constituents, with choline chloride-ethylene glycol resulting in the highest yield. The optimal conditions for maximal extraction were the use of choline chloride-ethylene glycol (1:4) as the solvent with a 40% water content, an extraction duration of 60 min at 60°C, and maintaining a leaf-to-solvent ratio of 20 mL/g. Noticeable enhancements in Van der Waals forces and more robust interactions between DESs and the target chemicals were observed relative to those seen with ethanol (70%, v/v) or water. This investigation not only introduced an environmentally friendly approach for highly efficient extraction from MCB but also identified the mechanisms underlying the improved extraction efficacy. These findings have the potential to contribute to the broader utilization of MCB and provide valuable insights into the extraction mechanisms utilizing deep eutectic solvents. PRACTICAL APPLICATION: This work describes an efficient and green ultrasound-assisted deep eutectic solvent (DES) method for Mesona chinensis Benth (MCB) extraction. Molecular dynamics was used to examine the intermolecular interactions between the solvent and the extracted compounds. It is anticipated that green and environmentally friendly solvents, such as DESs, will be used in further research on foods and their bioactive components. With the development of the herbal tea industry, new products made of MCB are becoming increasingly popular, thus gradually making it a research hotspot.

摘要

荠苨(Mesona chinensis Benth,MCB)是东南亚和中国最常消费的草药饮料的来源,因此是一种具有重要经济价值的农业植物。因此,优化的提取和生产程序具有重要的商业价值。目前,在绿色化学方面,研究人员正在研究使用更环保的溶剂和创新的提取技术来提高提取物的产量。本研究代表了首次对超声辅助深共晶溶剂(DES)从 MCB 中提取的最佳条件进行的研究。使用响应面法-遗传算法-反向传播神经网络对影响超声辅助 DES 的主要因素进行了优化。该模型与 RSM 模型相比,具有更好的可预测性和准确性。研究了各种类型的 DES 用于提取 MCB 成分,其中氯化胆碱-乙二醇的产率最高。最大提取的最佳条件是使用氯化胆碱-乙二醇(1:4)作为溶剂,含水量为 40%,在 60°C 下提取 60 分钟,并保持叶-溶剂比为 20mL/g。与 70%(v/v)乙醇或水相比,观察到 DES 与目标化学物质之间的范德华力增强,相互作用更加牢固。本研究不仅为从 MCB 中进行高效提取引入了一种环保方法,而且还确定了提高提取效率的机制。这些发现有可能促进 MCB 的更广泛利用,并为利用深共晶溶剂进行提取提供有价值的见解。实际应用:本工作描述了一种从荠苨中提取有效和绿色的超声辅助深共晶溶剂(DES)方法。使用分子动力学研究了溶剂与提取化合物之间的分子间相互作用。预计绿色环保溶剂,如深共晶溶剂,将在食品及其生物活性成分的进一步研究中得到应用。随着凉茶行业的发展,由荠苨制成的新产品越来越受欢迎,因此逐渐成为研究热点。

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