Dataset Information

Inclusion Complexes of Lycopene and β-Cyclodextrin: Preparation, Characterization, Stability and Antioxidant Activity.

ABSTRACT: In this study, the inclusion complexes of lycopene with β-cyclodextrin (β-CD) were prepared by the precipitation method. Then the inclusion complexes were characterized by the scanning electron microscopy (SEM), ultraviolet-visible spectroscopy (UV), microscopic observation, liquid chromatography, differential scanning calorimetry (DSC) and phase-solubility study. Moreover, the stability and antioxidant activity were tested. The results showed that lycopene was embedded into the cavity of β-CD with a 1:1 stoichiometry. Moreover, the thermal and irradiant stabilities of lycopene were all significantly increased by the formation of lycopene/β-CD inclusion complexes. Antioxidant properties of lycopene and its inclusion complexes were evaluated on the basis of measuring the scavenging activity for 1,1-diphenyl-2-picrylhydrazyl (DPPH), hydroxyl and superoxide anion radicals. The results showed that the scavenging activity of DPPH radicals was obviously increased by the formation of the inclusion complex with β-cyclodextrin at concentrations of 5-30 μg/mL, however, some significant positive effects on the scavenging activity of hydroxyl and superoxide anion radicals were not observed and the reasons are worth further study.

SUBMITTER: Wang H

PROVIDER: S-EPMC6719067 | biostudies-other | 2019 Aug

REPOSITORIES: biostudies-other

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Inclusion Complexes of Lycopene and β-Cyclodextrin: Preparation, Characterization, Stability and Antioxidant Activity.

Wang Haixiang H Wang Shaofeng S Zhu Hua H Wang Suilou S Xing Jiudong J

Antioxidants (Basel, Switzerland) 20190816 8

In this study, the inclusion complexes of lycopene with β-cyclodextrin (β-CD) were prepared by the precipitation method. Then the inclusion complexes were characterized by the scanning electron microscopy (SEM), ultraviolet-visible spectroscopy (UV), microscopic observation, liquid chromatography, differential scanning calorimetry (DSC) and phase-solubility study. Moreover, the stability and antioxidant activity were tested. The results showed that lycopene was embedded into the cavity of β-CD w ...[more]

PMID: 31426339

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Project description:BackgroundIn this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of beta-cyclodextrin (beta-CD) with different guest molecules. A training dataset comprised of 176 beta-CD guest molecules with experimentally determined thermodynamic quantities was taken from the literature. We compared the performance of three different statistical regression methods - principal component regression (PCR), partial least squares regression (PLSR), and support vector machine regression combined with forward feature selection (SVMR/FSS) - with respect to their ability to generate predictive quantitative structure property relationship (QSPR) models for DeltaG degrees, DeltaH degrees and DeltaS degrees on the basis of computed molecular descriptors.ResultsWe found that SVMR/FFS marginally outperforms PLSR and PCR in the prediction of DeltaG degrees, with PLSR performing slightly better than PCR. PLSR and PCR proved to be more stable in a nested cross-validation protocol. Whereas DeltaG degrees can be predicted in good agreement with experimental values, none of the methods led to comparably good predictive models for DeltaH degrees. In using the methods outlined in this study, we found that DeltaS degrees appears almost unpredictable. In order to understand the differences in the ease of predicting the quantities, we performed a detailed analysis. As a result we can show that free energies are less sensitive (than enthalpy or entropy) to the small structural variations of guest molecules. This property, as well as the lower sensitivity of DeltaG degrees to experimental conditions, are possible explanations for its greater predictability.ConclusionThis study shows that the ease of predicting DeltaG degrees cannot be explained by the predictability of either DeltaH degrees or DeltaS degrees. Our analysis suggests that the poor predictability of TDeltaS degrees and, to a lesser extent, DeltaH degrees has to do with a stronger dependence of these quantities on the structural details of the complex and only to a lesser extent on experimental error.

Dataset Information

Inclusion Complexes of Lycopene and β-Cyclodextrin: Preparation, Characterization, Stability and Antioxidant Activity.

Publications

Inclusion Complexes of Lycopene and β-Cyclodextrin: Preparation, Characterization, Stability and Antioxidant Activity.

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