Mobasheri Fatemeh, Khajeh Mostafa, Ghaffari-Moghaddam Mansour, Piri Jamshid, Bohlooli Mousa
Department of Chemistry, Faculty of Science, University of Zabol, Zabol, Iran.
Advanced Materials & Manufacturing Laboratory, University of Zabol, Zabol, Iran.
Sci Rep. 2025 Jun 3;15(1):19439. doi: 10.1038/s41598-025-04798-4.
The peel of pomegranate (Punica granatum) is rich in bioactive compounds, specifically phenolic compounds and tannin compounds. However, there is still a lot of difficulty dealing with the extraction of these substances due to the limitations of traditional methods. Microwave-assisted extraction (MAE) has shown promise, but optimizing it for maximum efficiency and yield remains a challenge. In this work, a microwave-assisted extraction improved using machine learning approaches was used to extract tannins and phenolic compounds from pomegranate peel. The experimental design consisted of four independent variables: microwave power (100-300 W), extraction time (10-40 min), temperature (35-50 °C), and food-to-solvent ratio (0.25-0.5 g/10 mL). The evaluated response variables were total phenolic (mg GAE/g), total tannin (mg CE/g), and antioxidant activity (DPPH scavenging activity). Thirty experiments were conducted using the microwave extraction system. Two machine learning models, LSBoost with Random Forest (LSBoost/RF) and LSBoost with K-Nearest Neighbors Neural Network (LSBoost/KNN-NN), were developed and compared for predicting extraction outcomes. The LSBoost/RF model demonstrated superior performance, achieving correlation coefficients (R²) of 0.9998, 0.9018, and 0.9269 for total phenolic, total tannin, and DPPH %, respectively. Feature importance analysis revealed microwave power as the most influential parameter, particularly for tannin content and antioxidant potency. The findings indicate that the combination of microwave-assisted extraction with machine learning provides an effective and accurate approach for the extraction and prediction of phenolic and tannin compounds in natural sources.
石榴(Punica granatum)皮富含生物活性化合物,特别是酚类化合物和单宁化合物。然而,由于传统方法的局限性,处理这些物质的提取仍存在诸多困难。微波辅助萃取(MAE)已显示出前景,但将其优化以实现最高效率和产量仍是一项挑战。在这项工作中,采用了一种利用机器学习方法改进的微波辅助萃取法从石榴皮中提取单宁和酚类化合物。实验设计包括四个自变量:微波功率(100 - 300 W)、萃取时间(10 - 40分钟)、温度(35 - 50°C)和料液比(0.25 - 0.5 g/10 mL)。评估的响应变量为总酚(mg GAE/g)、总单宁(mg CE/g)和抗氧化活性(DPPH清除活性)。使用微波萃取系统进行了30次实验。开发并比较了两种机器学习模型,即带有随机森林的最小二乘提升(LSBoost/RF)和带有K近邻神经网络的最小二乘提升(LSBoost/KNN-NN),用于预测萃取结果。LSBoost/RF模型表现出卓越性能,总酚、总单宁和DPPH%的相关系数(R²)分别达到0.9998、0.9018和0.9269。特征重要性分析表明微波功率是最具影响力的参数,特别是对于单宁含量和抗氧化能力。研究结果表明,微波辅助萃取与机器学习相结合为天然来源中酚类和单宁化合物的提取及预测提供了一种有效且准确的方法。