In order to fully utilize the by-products of apricot kernel-debitterizing and address the chemical instability of benzaldehyde in the food industry, benzaldehyde was first prepared by adding the apricot kernel powder to degrade the amygdalin present in the apricot kernel-debitterizing water. Subsequently, β-cyclodextrin was employed to encapsulate the benzaldehyde, and its encapsulation efficacy was evaluated through various techniques including Fourier transform infrared spectroscopy, thermogravimetric analysis, release kinetics fitting inhibitory effect and the effect on Botrytis cinerea. Finally, the encapsulation was explored via molecular docking and molecular dynamics simulations. The results indicate that the optimal preparation conditions for the benzaldehyde were 1.8 h, 53 °C and pH 5.8, and the encapsulation of benzaldehyde with β-cyclodextrin (wall-core ratio of 5:1, mL/g) has been verified by the deceleration in the release rate, the enhanced thermal stability and the prolonged inhibition effect against Botrytis cinerea. The encapsulation proceeded spontaneously without steric hindrance in the simulation, which led to a reduction in the hydrophobic cavity of β-cyclodextrin. In conclusion, the amygdalin in the debitterizing wastewater can be degraded in an eco-friendly way to produce benzaldehyde by adding apricot kernel powder, which contains β-glucosidase; the encapsulation of benzaldehyde is stable, thus enhancing the utilization of amygdalin in the debitterizing wastewater of apricot kernels.
Keywords: amygdalin; benzaldehyde; eco-friendly preparation; encapsulation; molecular simulation.