Preparation, characterization, and molecular modeling of sesamol/β-cyclodextrin derivatives inclusion complexes

Journal of Molecular Liquids(2021)

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Abstract
•Three inclusion complexes prepared effectively improved the solubility of sesamol.•The phenol hydroxyl group of sesamol first inserted into the cavity of β-CDs.•Hydrogen bonding and van der Waals forces stabilized the structure of complex.•Sesamol/ HP-β-CD inclusion complex showed higher antioxidant activity.•HP-β-CD was the optimal host molecule.
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Key words
Sesamol,Cyclodextrin,Inclusion complexes,Molecular model
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