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<p>This study explores improved phytochemical extraction from <i>Cymbopogon citratus</i> using microwave-assisted sustainable binary deep eutectic solvents (choline chloride and glycerol) compared to aqueous methanol. To assess the optimization of phytochemicals and antioxidant potential, considering time, microwave power, and biomass as extraction parameters, CatBoost modeling was performed with deep eutectic solvents (DES). The optimized total phenolic contents (TPC) 118 ± 4.0&#xa0;mg GAE/g, total flavonoid content (TFC) 78 ± 3.5&#xa0;mg QE/g, and the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical inhibition 93 ± 4.0% were evaluated in 6&#xa0;min at 320 W with 1.5&#xa0;g of biomass. The exceptional predictive accuracy of the CatBoost model was demonstrated by <i>R</i><sup>2</sup> values of 1.00 for all responses in the training, testing, and complete datasets. The analysis of partial dependence and feature importance revealed that time, microwave power, and biomass played significant roles in optimizing the extraction parameters. Permutation and model feature importance analyses indicated that biomass contributed the most to TPC (50.5% and 48.6.2%), TFC (53.0% and 53.5%), and DPPH (42.4% and 44.8%), respectively. The significant antibacterial (<i>Staphylococcus aureus</i> = 17 ± 0.4&#xa0;mm and <i>Escherichia coli</i> = 16.5 ± 1.0&#xa0;mm) and antifungal effects (<i>Fusarium solani</i> = 16.5&#xa0;mm, <i>Aspergillus niger</i> = 19 ± 0.7&#xa0;mm) of the optimized DES-based extracts were observed. Consequently, DES presents a superior alternative to traditional organic solvents due to its enhanced extraction efficiency.</p>

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Enhanced Extraction of Bioactive Agents from Cymbopogon citratus via Microwave-Assisted Choline Chloride-Glycerol Deep Eutectic Solvent: A Data-Driven Approach Guided by CatBoost Modeling

  • 期刊论文

  • 发表日期：

    2025年6月23日

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  • Zubera Naseem,
  • Zubair Khaliq,
  • Abdulaziz Bentalib,
  • Muhammad Bilal Qadir,
  • Muhammad Zahid,
  • Fayyaz Ahmad,
  • Adnan Ahmad,
  • Fakhra Yaseen

摘要

This study explores improved phytochemical extraction from Cymbopogon citratus using microwave-assisted sustainable binary deep eutectic solvents (choline chloride and glycerol) compared to aqueous methanol. To assess the optimization of phytochemicals and antioxidant potential, considering time, microwave power, and biomass as extraction parameters, CatBoost modeling was performed with deep eutectic solvents (DES). The optimized total phenolic contents (TPC) 118 ± 4.0 mg GAE/g, total flavonoid content (TFC) 78 ± 3.5 mg QE/g, and the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical inhibition 93 ± 4.0% were evaluated in 6 min at 320 W with 1.5 g of biomass. The exceptional predictive accuracy of the CatBoost model was demonstrated by R2 values of 1.00 for all responses in the training, testing, and complete datasets. The analysis of partial dependence and feature importance revealed that time, microwave power, and biomass played significant roles in optimizing the extraction parameters. Permutation and model feature importance analyses indicated that biomass contributed the most to TPC (50.5% and 48.6.2%), TFC (53.0% and 53.5%), and DPPH (42.4% and 44.8%), respectively. The significant antibacterial (Staphylococcus aureus = 17 ± 0.4 mm and Escherichia coli = 16.5 ± 1.0 mm) and antifungal effects (Fusarium solani = 16.5 mm, Aspergillus niger = 19 ± 0.7 mm) of the optimized DES-based extracts were observed. Consequently, DES presents a superior alternative to traditional organic solvents due to its enhanced extraction efficiency.