Ultrasound-assisted extraction of polyphenols from Moutan Cortex using natural deep eutectic solvent: Optimization, molecular mechanisms, and lipid-lowering activity.

Bibliographic Details
Title: Ultrasound-assisted extraction of polyphenols from Moutan Cortex using natural deep eutectic solvent: Optimization, molecular mechanisms, and lipid-lowering activity.
Authors: Yin S; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Peng W; School of Veterinary Medicine, Jiangsu Co-innovation Center for Prevention and Control of Important Animal Infectious Diseases and Zoonoses, Yangzhou University, Yangzhou 225009, PR China; Joint International Research Laboratory of Agriculture and Agri-Product Safety, The Ministry of Education of China, Yangzhou University, Yangzhou 225009, PR China., Wang Y; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Lu H; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Liu P; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Zhu X; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Yang H; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China., Li J; School of Veterinary Medicine, Jiangsu Co-innovation Center for Prevention and Control of Important Animal Infectious Diseases and Zoonoses, Yangzhou University, Yangzhou 225009, PR China; Joint International Research Laboratory of Agriculture and Agri-Product Safety, The Ministry of Education of China, Yangzhou University, Yangzhou 225009, PR China. Electronic address: jgli@yzu.edu.cn., Li L; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China. Electronic address: liliuhui01@163.com.
Source: Ultrasonics sonochemistry [Ultrason Sonochem] 2026 Oct; Vol. 133, pp. 108052. Date of Electronic Publication: 2026 Sep 10.
Publication Type: Journal Article
Language: English
Journal Info: Publisher: Elsevier Science Country of Publication: Netherlands NLM ID: 9433356 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-2828 (Electronic) Linking ISSN: 13504177 NLM ISO Abbreviation: Ultrason Sonochem Subsets: MEDLINE
Imprint Name(s): Publication: Amsterdam : Elsevier Science
Original Publication: Oxford : Butterworth Heinemann, c1994-
MeSH Terms: Polyphenols*/isolation & purification , Polyphenols*/pharmacology , Polyphenols*/chemistry , Paeonia*/chemistry , Chemical Fractionation*/methods , Deep Eutectic Solvents*/chemistry , Drugs, Chinese Herbal*/chemistry , Ultrasonic Waves*, Solvents/chemistry ; Molecular Dynamics Simulation ; Animals
Abstract: Moutan Cortex is a valuable medicinal resource rich in bioactive polyphenols, yet its sustainable valorization is often hindered by the inefficiencies and environmental concerns associated with conventional extraction methods. In this study, a green and efficient ultrasound-assisted extraction (UAE) strategy was developed using a betaine-levulinic acid (Bet-LevA) natural deep eutectic solvent (NADES). An intelligent optimization approach was applied to determine the optimal extraction conditions, achieving a maximum total polyphenol content of 27.03 ± 0.41 mg GAE/g DW, which was 1.93-fold higher than that obtained using 70% ethanol extraction. The molecular mechanisms underlying the superior extraction performance of Bet-LevA were further elucidated using FT-IR, conductor-like screening model for realistic solvents (COSMO-RS), and molecular dynamics (MD) simulations, revealing that hydrogen-bond networks and stronger solvent-polyphenol interactions promoted solubilization and stabilization of phenolic compounds. Furthermore, the extracted polyphenol fraction effectively alleviated fatty acid-induced lipid accumulation in AML-12 hepatocytes. Overall, this study provides a sustainable extraction framework integrating green solvent design, intelligent optimization, molecular mechanism analysis, and functional evaluation for the high-value utilization of Moutan Cortex in functional foods and nutraceutical applications.
(Copyright © 2026 The Authors. Published by Elsevier B.V. All rights reserved.)
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Contributed Indexing: Keywords: COSMO-RS; Lipid-lowering activity; Molecular dynamics simulation; MoutanCortex; Natural deep eutectic solvents; Polyphenols; Ultrasound-assisted extraction
Substance Nomenclature: 0 (Polyphenols)
0 (moutan cortex)
0 (Deep Eutectic Solvents)
0 (Drugs, Chinese Herbal)
0 (Solvents)
Entry Date(s): Date Created: 20260912 Date Completed: 20261005 Latest Revision: 20261005
Update Code: 20261006
PubMed Central ID: PMC13587915
DOI: 10.1016/j.ultsonch.2026.108052
PMID: 42731572
Database: MEDLINE
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  Data: Ultrasound-assisted extraction of polyphenols from Moutan Cortex using natural deep eutectic solvent: Optimization, molecular mechanisms, and lipid-lowering activity.
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  Data: <searchLink fieldCode="AU" term="%22Yin+S%22">Yin S</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Peng+W%22">Peng W</searchLink>; School of Veterinary Medicine, Jiangsu Co-innovation Center for Prevention and Control of Important Animal Infectious Diseases and Zoonoses, Yangzhou University, Yangzhou 225009, PR China; Joint International Research Laboratory of Agriculture and Agri-Product Safety, The Ministry of Education of China, Yangzhou University, Yangzhou 225009, PR China.<br /><searchLink fieldCode="AU" term="%22Wang+Y%22">Wang Y</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Lu+H%22">Lu H</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Liu+P%22">Liu P</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Zhu+X%22">Zhu X</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Yang+H%22">Yang H</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China.<br /><searchLink fieldCode="AU" term="%22Li+J%22">Li J</searchLink>; School of Veterinary Medicine, Jiangsu Co-innovation Center for Prevention and Control of Important Animal Infectious Diseases and Zoonoses, Yangzhou University, Yangzhou 225009, PR China; Joint International Research Laboratory of Agriculture and Agri-Product Safety, The Ministry of Education of China, Yangzhou University, Yangzhou 225009, PR China. Electronic address: jgli@yzu.edu.cn.<br /><searchLink fieldCode="AU" term="%22Li+L%22">Li L</searchLink>; Jiangsu Agri-animal Husbandry Vocational College, Taizhou 225300, PR China. Electronic address: liliuhui01@163.com.
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  Data: <searchLink fieldCode="MM" term="%22Polyphenols%22">Polyphenols*</searchLink>/<searchLink fieldCode="MM" term="%22Polyphenols+isolation+%26+purification%22">isolation & purification</searchLink> <br /><searchLink fieldCode="MM" term="%22Polyphenols%22">Polyphenols*</searchLink>/<searchLink fieldCode="MM" term="%22Polyphenols+pharmacology%22">pharmacology</searchLink> <br /><searchLink fieldCode="MM" term="%22Polyphenols%22">Polyphenols*</searchLink>/<searchLink fieldCode="MM" term="%22Polyphenols+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Paeonia%22">Paeonia*</searchLink>/<searchLink fieldCode="MM" term="%22Paeonia+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Chemical+Fractionation%22">Chemical Fractionation*</searchLink>/<searchLink fieldCode="MM" term="%22Chemical+Fractionation+methods%22">methods</searchLink> <br /><searchLink fieldCode="MM" term="%22Deep+Eutectic+Solvents%22">Deep Eutectic Solvents*</searchLink>/<searchLink fieldCode="MM" term="%22Deep+Eutectic+Solvents+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Drugs%2C+Chinese+Herbal%22">Drugs, Chinese Herbal*</searchLink>/<searchLink fieldCode="MM" term="%22Drugs%2C+Chinese+Herbal+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Ultrasonic+Waves%22">Ultrasonic Waves*</searchLink><br /><searchLink fieldCode="MH" term="%22Solvents%22">Solvents</searchLink>/<searchLink fieldCode="MH" term="%22Solvents+chemistry%22">chemistry</searchLink> ; <searchLink fieldCode="MH" term="%22Molecular+Dynamics+Simulation%22">Molecular Dynamics Simulation</searchLink> ; <searchLink fieldCode="MH" term="%22Animals%22">Animals</searchLink>
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  Data: Moutan Cortex is a valuable medicinal resource rich in bioactive polyphenols, yet its sustainable valorization is often hindered by the inefficiencies and environmental concerns associated with conventional extraction methods. In this study, a green and efficient ultrasound-assisted extraction (UAE) strategy was developed using a betaine-levulinic acid (Bet-LevA) natural deep eutectic solvent (NADES). An intelligent optimization approach was applied to determine the optimal extraction conditions, achieving a maximum total polyphenol content of 27.03 ± 0.41 mg GAE/g DW, which was 1.93-fold higher than that obtained using 70% ethanol extraction. The molecular mechanisms underlying the superior extraction performance of Bet-LevA were further elucidated using FT-IR, conductor-like screening model for realistic solvents (COSMO-RS), and molecular dynamics (MD) simulations, revealing that hydrogen-bond networks and stronger solvent-polyphenol interactions promoted solubilization and stabilization of phenolic compounds. Furthermore, the extracted polyphenol fraction effectively alleviated fatty acid-induced lipid accumulation in AML-12 hepatocytes. Overall, this study provides a sustainable extraction framework integrating green solvent design, intelligent optimization, molecular mechanism analysis, and functional evaluation for the high-value utilization of Moutan Cortex in functional foods and nutraceutical applications.<br /> (Copyright © 2026 The Authors. Published by Elsevier B.V. All rights reserved.)
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  Data: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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  Data: <i>Keywords: </i>COSMO-RS; Lipid-lowering activity; Molecular dynamics simulation; MoutanCortex; Natural deep eutectic solvents; Polyphenols; Ultrasound-assisted extraction
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      – SubjectFull: Animals
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