Abstract
Inclusion complex (ICBA) of Berberis lycium anthocyanins (BA) with β-cyclodextrin (β-CD) was prepared by freeze drying technique at stoichiometric equimolar ratio. Spectroscopic and microscopic analyses confirmed successful inclusion of the guest (BA) inside host (β-CD) cavities. In dissolution study, 72.4% anthocyanin was released from ICBA in 90 min, unlike 98.4% in case of BA. Encapsulation with β-CD provided improved thermal stability of anthocyanins as half-lives were increased. Activation energy required for the thermal degradation of anthocyanins was found to be higher in ICBA (42.42 kJ mol−1) than BA (35.86 kJ mol−1). Although similar bioaccessibility of anthocyanin was observed in both ICBA and purified crystals, β-CD provided better thermal stability and regulated the release of anthocyanins. While predicting the role of non-bonding forces between the selected anthocyanins and β-CD, molecular docking study revealed that delphinidin-3-glucoside (d3g) and β-CD complex was thermodynamically more stable than cyanidin-3-glucoside (c3g) complex. Molecular dynamics studies and quantum chemical calculations using density function theory provided an insight to explain the behavior of anthocyanins (in aqueous environment) within the inclusion complex cavity. Result concluded that β-CD is an appropriate host for the stability enhancement of anthocyanins.
Published Version
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