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August 15, 2026Industrial Crops and ProductsOpen Access

Green extraction of natural antioxidant polyphenols from Celastrus orbiculatus using ultrasound-assisted deep eutectic solvents: Computational screening, process optimization, and mechanistic insights

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Authors

LWLijun WangGuangxi Normal UniversityWPWeilong PengYangzhou UniversityJCJi ChengYangzhou University

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Implication

Experimental modeling demonstrates enhanced polyphenol recovery from Celastrus orbiculatus using ultrasound and deep eutectic solvents, highlighting sustainable industrial antioxidant production.

Key Points

  • Develop and optimize an eco-friendly ultrasound-assisted extraction method using natural deep eutectic solvents to maximize the recovery of antioxidant polyphenols from Celastrus orbiculatus.
  • Screened solvent systems computationally using COSMO-RS thermodynamic solubility modeling to select betaine-lactic acid (Bet-LA) as the optimal solvent.
  • Optimized extraction parameters (liquid-solid ratio, ultrasonic time, and ultrasonic power) using an artificial neural network-genetic algorithm (ANN-GA) framework.
  • Characterized phenolic composition, antioxidant capacity (DPPH, ABTS, FRAP), and extraction mechanisms using UPLC-Q Exactive/MS, scanning electron microscopy, and molecular dynamics simulations.
  • Achieved a polyphenol yield of 22.89 ± 0.41 mg GAE/g DW under optimal conditions (33 mL/g ratio, 36 min, 520 W), representing a 1.86-fold increase over conventional 70% ethanol extraction.
  • Enriched bioactive phenolics predominantly as epicatechin, with microscopic and molecular simulations demonstrating cell wall disruption via acoustic cavitation and strong hydrogen-bonding solvation.
  • Exhibited robust in vitro antioxidant performance across DPPH, ABTS, and ferric reducing antioxidant power assays.

Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/6a801a0e75c2e31742c867ffhttps://doi.org/10.1016/j.indcrop.2026.124130
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