{"title":"tbab -多元醇深共晶溶剂原位一步提取大黄蒽醌类化合物:混合RSM-ANN-GA优化绿色工艺","authors":"Pingping Zhang, Dong Xiao, Wenhao liu, Jinqi Hu, Xiaoqian Li, Xia Wang, Chuanqiu Tang","doi":"10.1016/j.lwt.2025.117839","DOIUrl":null,"url":null,"abstract":"<div><div>Extracting trace active components from traditional Chinese medicine is challenging due to the robust structure of the biomass cell wall. This study developed an <em>in</em>-<em>situ</em> one-step extraction using quaternary ammonium salt-polyol DESs to greenly and efficiently extract anthraquinone compounds (AQs) from rhubarb. Multivariate data analysis revealed that the DES composed of tetrabutylammonium bromide (TBAB) and triethylene glycol (TEG) exhibited excellent extraction performance for AQs. The optimal conditions were determined through a combination of response surface methodology (RSM) and artificial neural network–genetic algorithm (ANN-GA). A total AQs extraction yield of 23.06 ± 0.54 mg/g was achieved using TBAB–TEG DES (75.4 % TEG molar fraction, 25.5 % water) with a 10.4-min extraction. This yield significantly exceeded that of the Chinese Pharmacopoeia extractant (<em>p</em> < 0.05) and was comparable to the extraction rates of two other newly reported DES extractants (<em>p</em> > 0.05). The method integrates extraction, separation, and purification into one step, simplifying the process. SEM and FT-IR analyses confirmed that cell wall disruption and stable AQs-DES complex formation enhanced extraction efficiency. Sensitivity analysis identified TEG molar fraction (39.89 %), extraction time (31.86 %), and water content (28.24 %) as key factors. The RSM-ANN-GA model outperformed RSM alone, providing a reliable tool for process optimization in the pharmaceutical and food industries.</div></div>","PeriodicalId":382,"journal":{"name":"LWT - Food Science and Technology","volume":"224 ","pages":"Article 117839"},"PeriodicalIF":6.0000,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In-situ one-step extraction of rhubarb anthraquinones using TBAB–polyol deep eutectic solvents: a green process optimized by a hybrid RSM–ANN–GA approach\",\"authors\":\"Pingping Zhang, Dong Xiao, Wenhao liu, Jinqi Hu, Xiaoqian Li, Xia Wang, Chuanqiu Tang\",\"doi\":\"10.1016/j.lwt.2025.117839\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Extracting trace active components from traditional Chinese medicine is challenging due to the robust structure of the biomass cell wall. This study developed an <em>in</em>-<em>situ</em> one-step extraction using quaternary ammonium salt-polyol DESs to greenly and efficiently extract anthraquinone compounds (AQs) from rhubarb. Multivariate data analysis revealed that the DES composed of tetrabutylammonium bromide (TBAB) and triethylene glycol (TEG) exhibited excellent extraction performance for AQs. The optimal conditions were determined through a combination of response surface methodology (RSM) and artificial neural network–genetic algorithm (ANN-GA). A total AQs extraction yield of 23.06 ± 0.54 mg/g was achieved using TBAB–TEG DES (75.4 % TEG molar fraction, 25.5 % water) with a 10.4-min extraction. This yield significantly exceeded that of the Chinese Pharmacopoeia extractant (<em>p</em> < 0.05) and was comparable to the extraction rates of two other newly reported DES extractants (<em>p</em> > 0.05). The method integrates extraction, separation, and purification into one step, simplifying the process. SEM and FT-IR analyses confirmed that cell wall disruption and stable AQs-DES complex formation enhanced extraction efficiency. Sensitivity analysis identified TEG molar fraction (39.89 %), extraction time (31.86 %), and water content (28.24 %) as key factors. The RSM-ANN-GA model outperformed RSM alone, providing a reliable tool for process optimization in the pharmaceutical and food industries.</div></div>\",\"PeriodicalId\":382,\"journal\":{\"name\":\"LWT - Food Science and Technology\",\"volume\":\"224 \",\"pages\":\"Article 117839\"},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2025-04-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"LWT - Food Science and Technology\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0023643825005237\",\"RegionNum\":1,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"FOOD SCIENCE & TECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"LWT - Food Science and Technology","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0023643825005237","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}
引用次数: 0
摘要
由于生物质细胞壁的坚固结构,从中药中提取微量活性成分具有挑战性。本研究采用季铵盐-多元醇DESs一步法原位提取大黄中蒽醌类化合物。多变量数据分析表明,由四丁基溴化铵(TBAB)和三甘醇(TEG)组成的DES对AQs具有良好的提取性能。采用响应面法(RSM)和人工神经网络遗传算法(ANN-GA)相结合的方法确定了最优条件。采用TBAB-TEG DES (75.4% TEG摩尔分数,25.5%水),提取时间为10.4 min,总AQs得率为23.06±0.54 mg/g。该收率显著高于《中国药典》萃取剂(p <;0.05),与其他两种新报道的DES萃取剂的提取率相当(p >;0.05)。该方法将提取、分离、纯化三步合为一体,简化了工艺流程。SEM和FT-IR分析证实细胞壁破坏和稳定的AQs-DES络合物形成提高了萃取效率。敏感性分析结果表明,TEG摩尔分数(39.89%)、提取时间(31.86%)和水分含量(28.24%)是主要影响因素。RSM- ann - ga模型优于单独的RSM,为制药和食品行业的过程优化提供了可靠的工具。
In-situ one-step extraction of rhubarb anthraquinones using TBAB–polyol deep eutectic solvents: a green process optimized by a hybrid RSM–ANN–GA approach
Extracting trace active components from traditional Chinese medicine is challenging due to the robust structure of the biomass cell wall. This study developed an in-situ one-step extraction using quaternary ammonium salt-polyol DESs to greenly and efficiently extract anthraquinone compounds (AQs) from rhubarb. Multivariate data analysis revealed that the DES composed of tetrabutylammonium bromide (TBAB) and triethylene glycol (TEG) exhibited excellent extraction performance for AQs. The optimal conditions were determined through a combination of response surface methodology (RSM) and artificial neural network–genetic algorithm (ANN-GA). A total AQs extraction yield of 23.06 ± 0.54 mg/g was achieved using TBAB–TEG DES (75.4 % TEG molar fraction, 25.5 % water) with a 10.4-min extraction. This yield significantly exceeded that of the Chinese Pharmacopoeia extractant (p < 0.05) and was comparable to the extraction rates of two other newly reported DES extractants (p > 0.05). The method integrates extraction, separation, and purification into one step, simplifying the process. SEM and FT-IR analyses confirmed that cell wall disruption and stable AQs-DES complex formation enhanced extraction efficiency. Sensitivity analysis identified TEG molar fraction (39.89 %), extraction time (31.86 %), and water content (28.24 %) as key factors. The RSM-ANN-GA model outperformed RSM alone, providing a reliable tool for process optimization in the pharmaceutical and food industries.
期刊介绍:
LWT - Food Science and Technology is an international journal that publishes innovative papers in the fields of food chemistry, biochemistry, microbiology, technology and nutrition. The work described should be innovative either in the approach or in the methods used. The significance of the results either for the science community or for the food industry must also be specified. Contributions written in English are welcomed in the form of review articles, short reviews, research papers, and research notes. Papers featuring animal trials and cell cultures are outside the scope of the journal and will not be considered for publication.