微波辐照下用超分子共晶溶剂持续提取薄荷植物化学物质:用catboost驱动的特征分析揭示见解

IF 8.7 1区 化学 Q1 ACOUSTICS
Zubera Naseem , Muhammad Bilal Qadir , Abdulaziz Bentalib , Zubair Khaliq , Muhammad Zahid , Fayyaz Ahmad , Nimra Nadeem , Anum Javaid
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引用次数: 0

摘要

研究结果表明,微波辐射萃取薄荷中可持续氯化胆碱(ChCl)和基于乙二醇(EG)的深共晶溶剂(DES)具有较高的萃取潜力。采用CatBoost机器学习模型对提取时间(4 ~ 8 min)、微波功率(160 ~ 320 W)和生物量(1 ~ 2.0 g/10 mL)进行优化,实验优化后的TPC在240 W、1.0 g生物质条件下提取124±4.0 mg GAE/g, TFC 79±3.0 mg QE/g, DPPH自由基抑制率90±4.0%,提取时间为6 min。列车的平均相对误差为0.402 % (TPC)、0.863 % (TFC)、0.597 % (DPPH),试验数据的平均相对误差为0.679 % (TPC)、0.685 % (TFC)、0.480 % (DPPH),与预测值一致。部分依赖性和特征重要性揭示了参数对优化提取的贡献作用。每个预测因子对反应的平均贡献率显示,时间贡献32.5% (TPC), 35.9% (TFC)和18.6% (DPPH);微波功率贡献26.7% (TPC)、25.5% (TFC)和44.2% (DPPH);生物量贡献40.8% (TPC)、38.6% (TFC)和37.2% (DPPH)。显著的抗菌(金黄色葡萄球菌和大肠杆菌= = 25.5±1.4毫米23.5±1.4毫米)与中等收入国家(金黄色葡萄球菌= 50±2.5µg / mL和大肠杆菌= 100±1.5µg / mL)和抗真菌潜在(f以上= 22.5±1.4毫米,a尼日尔= 23.5±0.8毫米),与麦克风(f以上= 100±0.4µg / mL, a尼日尔= 50±0.5µg / mL)的优化提取DES是DES。记录最好的替代传统有机溶剂的基础上更高的提取效率和可持续性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Sustainable extraction of phytochemicals from Mentha arvensis using supramolecular eutectic solvent via microwave Irradiation: Unveiling insights with CatBoost-Driven feature analysis

Sustainable extraction of phytochemicals from Mentha arvensis using supramolecular eutectic solvent via microwave Irradiation: Unveiling insights with CatBoost-Driven feature analysis
The present study revealed the higher extraction potential of sustainable choline chloride (ChCl) and ethylene glycol (EG) based deep eutectic solvent (DES) from Mentha arvensis via microwave irradiation. The categorical boosting (CatBoost) machine learning model was applied to optimize the extraction process against time (4–8 min), microwave power (160–320 W), and biomass quantity (1–2.0 g/10 mL) with DES. The experimentally optimized TPC 124 ± 4.0  mg GAE/g, TFC 79 ± 3.0  mg QE/g, and DPPH radical inhibition 90 ± 4.0 % evaluated in 6 min at 240 W with 1.0 g biomass. The lowest average relative errors of 0.402 % (TPC), 0.863 % (TFC), and 0.597 % (DPPH) for train and 0.679 % (TPC), 0.685 % (TFC) and 0.480 % (DPPH) for test data showed the consistency with the predicted values. The partial dependence and feature importance revealed the contributing impact of parameters for optimizing the extraction. The average contribution percentage of each predictor to the responses revealed that time contributed 32.5 % (TPC), 35.9 % (TFC), and 18.6 % (DPPH); microwave power contributed 26.7 % (TPC), 25.5 % (TFC), and 44.2 % (DPPH); while biomass contributed 40.8 % (TPC), 38.6 % (TFC), and 37.2 % (DPPH). The significant antibacterial (S. aureus = 25.5 ± 1.4 mm and E. coli = 23.5 ± 1.4 mm) with MICs (S. aureus = 50 ± 2.5 µg/mL and E. coli = 100 ± 1.5 µg/mL) and antifungal potential (F. solani = 22.5 ± 1.4  mm, A. niger = 23.5 ± 0.8 mm), with MIC (F. solani = 100 ± 0.4 µg/mL and A. niger = 50 ± 0.5 µg/mL) of optimized extracts recorded by DES. The DES would be the best alternative to traditional organic solvents based on higher extraction efficiency and sustainability.
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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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