The encapsulation of essential oil components in cyclodextrins(CDs)to form inclusion complexes(ICs)is an effective strategy for improving their stability and bioaccessibility.The aim of the present study was to obtain...The encapsulation of essential oil components in cyclodextrins(CDs)to form inclusion complexes(ICs)is an effective strategy for improving their stability and bioaccessibility.The aim of the present study was to obtain a deeper understanding of the encapsulation behavior of multi-components inβ-CD.Guest molecules ofα-pinene,myrcene,and 3-carene,having the same molecular weight,formed ICs withβ-CD by a freeze-drying method.A simplex lattice mixture design with 28 experiments was carried out.Statistical analysis was applied to analyze the encapsulation behavior of guest components,and quantitative models of guest components in ICs were constructed by coupling with near-infrared(NIR)spectroscopy and chemometrics analysis.Besides,the molecular docking technique was used to obtain the optimal conformation and explain the binding behavior of inclusion.The results suggested that the spatial structure and ratio of guest molecules were the key factors affecting the encapsulation effect.A non-destructive and rapid NIR analytical model for the guest component in ICs could be obtained by second derivative(2nd der)pretreatment.Collectively,the encapsulation of guest components inβ-CD was differentiated,and NIR could be used as a rapid and non-destructive tool for quantitative analysis of ICs.展开更多
基金National Natural Science Foundation of China (Grant No. 82003953)China Postdoctoral Science Foundation (Grant No. 2019M662278)+2 种基金Science and Technology Project of Education Department of Jiangxi Province (Grant No. GJJ190688, GJJ201252)Po stdoctoral Science Foundation of Jiangxi Province (Grant No. 2019KY42)Key Scientific Research Foundation of Jiangxi University of Traditional Chinese Medicine (Grant No. 2004/538200010402)。
文摘The encapsulation of essential oil components in cyclodextrins(CDs)to form inclusion complexes(ICs)is an effective strategy for improving their stability and bioaccessibility.The aim of the present study was to obtain a deeper understanding of the encapsulation behavior of multi-components inβ-CD.Guest molecules ofα-pinene,myrcene,and 3-carene,having the same molecular weight,formed ICs withβ-CD by a freeze-drying method.A simplex lattice mixture design with 28 experiments was carried out.Statistical analysis was applied to analyze the encapsulation behavior of guest components,and quantitative models of guest components in ICs were constructed by coupling with near-infrared(NIR)spectroscopy and chemometrics analysis.Besides,the molecular docking technique was used to obtain the optimal conformation and explain the binding behavior of inclusion.The results suggested that the spatial structure and ratio of guest molecules were the key factors affecting the encapsulation effect.A non-destructive and rapid NIR analytical model for the guest component in ICs could be obtained by second derivative(2nd der)pretreatment.Collectively,the encapsulation of guest components inβ-CD was differentiated,and NIR could be used as a rapid and non-destructive tool for quantitative analysis of ICs.
