COSMO-SAC and QSPR combined models: A flexible and reliable strategy for screening the extraction efficiency of deep eutectic solvents

Separation and Purification Technology(2023)

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摘要
•We propose a highly adaptable and dependable method for screening DESs.•The fundamental principles and operational steps of the screening method are elucidated.•The proposed method was applied for the extraction of oleocanthal from extra virgin olive oil.•Among the DESs screened, the choline chloride/phenol composition showed the most promising performance.•The established extraction method significantly shortens the extraction time and solvent consumption.
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关键词
Solvent screening, COSMO-SAC, QSPR, Deep eutectic solvent
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