Novel ternary deep eutectic solvent coupled with in-situ-ultrasound synergistic extraction of flavonoids from Epimedium wushanense: machine learning, mechanistic investigation, and antioxidant activity

IF 9.7 1区 化学 Q1 ACOUSTICS
Cheng Liu , Jie Lei , Xinyu Liu , Zhaolin Huang , Ying Zhao
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引用次数: 0

Abstract

This study innovatively developed a novel ternary deep eutectic solvent coupled with in-situ-ultrasound synergistic extraction (TDES-ISUSE) method for efficient extraction of total flavonoids (TF) from Epimedium wushanense. Among 20 prepared DESs, the ternary system composed of choline bitartrate, urea, and glycerol (Chb:Ure:Gly) exhibited the highest extraction efficiency. Response surface methodology-artificial neural network-genetic algorithm (RSM-ANN-GA) optimization identified the optimal extraction parameters: water content of 32 %, vortex time of 10 min, liquid/solid ratio of 34:1 mL/g, ultrasound time of 30 min, and ultrasound power of 270 W. Under these conditions, the TF yield reached 26.39 ± 0.61 mg/g, which was significantly higher than that of conventional extraction methods. Phytochemical profiling of E. wushanense via UHPLC-Q-TOF-MS (positive/negative ion modes) unambiguously annotated 15 compounds, including 9 flavonoids; concurrently, an HPLC method was established for quantitative determination of 4 key flavonoids. FT-IR spectroscopy and nuclear magnetic resonance (NMR) confirmed the successful prepared of the novel TDES, while scanning electron microscopy (SEM) and molecular dynamics (MD) simulations elucidated the underlying extraction mechanism, revealing enhanced cell wall disruption and improved solubility of flavonoids in TDES-ISUSE. Antioxidant assays further demonstrated the potential bioactivity of the TF extract. Overall, this work provides an eco-friendly, efficient, and reproducible approach for extracting bioactive flavonoids from E. wushanense, with implications for sustainable utilization of medicinal plant resources and advancement of green extraction technologies.
新型三元深共晶溶剂-原位超声协同提取乌山淫羊藿总黄酮:机器学习、机理研究及抗氧化活性研究
本研究创新性地建立了一种新型的三元深共晶溶剂-原位超声协同萃取法(TDES-ISUSE),用于巫山淫羊藿总黄酮的高效提取。在20种制备的DESs中,重酒石酸胆碱、尿素和甘油组成的三元体系(Chb:Ure:Gly)的提取效率最高。响应面法-人工神经网络-遗传算法(RSM-ANN-GA)优化确定了最佳提取参数:水含量32%,涡流时间10 min,液料比34:1 mL/g,超声时间30 min,超声功率270 W。在此条件下,TF得率达到26.39±0.61 mg/g,显著高于常规提取方法。通过UHPLC-Q-TOF-MS(正/负离子模式)对乌山冬的15个化合物进行了明确标注,其中9个为黄酮类化合物;同时,建立了高效液相色谱法测定4种关键黄酮的含量。红外光谱(FT-IR)和核磁共振(NMR)证实了新型TDES的成功制备,扫描电镜(SEM)和分子动力学(MD)模拟揭示了潜在的提取机制,揭示了TDES- isuse中黄酮类化合物的细胞壁破坏增强和溶解度提高。抗氧化实验进一步证实了茯苓提取物的潜在生物活性。本研究提供了一种环保、高效、可重复提取乌山参黄酮的方法,对药用植物资源的可持续利用和绿色提取技术的发展具有重要意义。
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来源期刊
Ultrasonics Sonochemistry
Ultrasonics Sonochemistry 化学-化学综合
CiteScore
15.80
自引率
11.90%
发文量
361
审稿时长
59 days
期刊介绍: Ultrasonics Sonochemistry stands as a premier international journal dedicated to the publication of high-quality research articles primarily focusing on chemical reactions and reactors induced by ultrasonic waves, known as sonochemistry. Beyond chemical reactions, the journal also welcomes contributions related to cavitation-induced events and processing, including sonoluminescence, and the transformation of materials on chemical, physical, and biological levels. Since its inception in 1994, Ultrasonics Sonochemistry has consistently maintained a top ranking in the "Acoustics" category, reflecting its esteemed reputation in the field. The journal publishes exceptional papers covering various areas of ultrasonics and sonochemistry. Its contributions are highly regarded by both academia and industry stakeholders, demonstrating its relevance and impact in advancing research and innovation.
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