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深共晶溶剂作为从大豆(Glycine max (L) Merrill)和豆渣中提取类黄酮的替代品:基于 COSMO-SAC 模型的实验和计算方法。

Deep eutectic solvents as an alternative for extraction of flavonoids from soybean (Glycine max (L) Merrill) and okara: An experimental and computational approach based on COSMO-SAC model.

机构信息

Laboratory of Extraction, Applied Thermodynamics and Equilibrium - EXTRAE, School of Food Engineering, University of Campinas, 80 Monteiro Lobato Street, 13083-062 Campinas, Brazil.

Department of Chemical Engineering, Polytechnique Center, Federal University of Paraná, Curitiba, PR, Brazil.

出版信息

Food Res Int. 2023 Nov;173(Pt 1):113266. doi: 10.1016/j.foodres.2023.113266. Epub 2023 Jul 14.

Abstract

In this study, different Deep Eutectic Solvents based on choline chloride ([Ch]Cl) with carboxylic acids, sugars, and glycerol, were investigated as alternative solvents for the extraction of flavonoids from soybean and okara. Initially, the COSMO-SAC was investigated as a tool in solvent screening for the extraction of flavonoids. Experimental validation was performed using total flavonoid analysis with the solvents that showed greater interaction with the solutes. The extracts obtained from soybean and okara using the DES [Ch]Cl:acetic acid added with 30 % water showed the highest total flavonoid content, 1.05 mg eq. of catechin/g dry soybean and 0.94 mg eq. of catechin /g dry okara, respectively. For phenolic compound extraction, [Ch]Cl: acetic acid DES extracted approximately 1.16 mg GAE/g of soybean and 0.69 mg GAE/g of okara. For antioxidant activity, soybean and okara extracts obtained with [Ch]Cl: acetic acid showed FRAP results of 0.40 mg Trolox/mL of extract and 0.45 mg Trolox/mL of extract, respectively. In addition, the isoflavones daidzein, genistein, glycitein, daidzin, genistin, and glycitin were identified and quantified in the soybean and okara extracts obtained with DES [Ch]Cl: acetic acid with 30% water, totaling 1068.05 and 424.32 µg total isoflavones/g dry sample. Therefore, The COSMO-SAC model was a useful tool in solvent screening, saving time and costs. Also, DES can be an alternative solvent for extracting flavonoids to replace conventional organic solvents, respecting current environmental and human health concerns.

摘要

在这项研究中,研究了不同的基于氯化胆碱 ([Ch]Cl) 的深共晶溶剂与羧酸、糖和甘油,作为从大豆和豆渣中提取类黄酮的替代溶剂。最初,我们使用 COSMO-SAC 作为溶剂筛选工具,以提取类黄酮。使用与溶质相互作用更大的溶剂进行了实验验证,进行了总黄酮分析。使用 DES [Ch]Cl: 乙酸添加 30%水从大豆和豆渣中提取的提取物显示出最高的总黄酮含量,分别为 1.05mg 当量的儿茶素/g 干大豆和 0.94mg 当量的儿茶素/g 干豆渣。对于酚类化合物的提取,[Ch]Cl: 乙酸 DES 提取了约 1.16mg GAE/g 的大豆和 0.69mg GAE/g 的豆渣。对于抗氧化活性,使用 [Ch]Cl: 乙酸的大豆和豆渣提取物的 FRAP 结果分别为 0.40mg Trolox/mL 的提取物和 0.45mg Trolox/mL 的提取物。此外,在使用 DES [Ch]Cl: 乙酸和 30%水从大豆和豆渣中提取的提取物中鉴定和定量了大豆异黄酮染料木素、大豆苷元、黄豆苷元、大豆苷、染料木苷和黄豆苷,总异黄酮含量分别为 1068.05 和 424.32µg/g 干样。因此,COSMO-SAC 模型是溶剂筛选的有用工具,可以节省时间和成本。此外,深共晶溶剂可以作为提取类黄酮的替代溶剂,以取代传统的有机溶剂,以满足当前的环境和人类健康关注。

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