Insight into the self-assembly behavior of α-zein by multi-spectroscopic and molecular simulations: An example of combination with the main component of jujube peel pigments - Rutin

Abstract

Zein has been widely used as a kind of carrier material for its self-assembly capability, while the mechanism of this process is still elusive. Rutin, one of the flavonoids, has been confirmed as the main ingredient of pigments in jujube peels. In this work, the binding mechanism in the zein/rutin complexes has been systematically studied by using multi-spectroscopic methods and molecular simulations. Results have shown that the encapsulation efficiency of complexes has researched the maximum, 67.30 % ± 1.50 %, when the concentration of rutin is 60 μM. Furthermore, the spherical morphology of complexes has been provided by microstructure characterization. Multi-spectroscopic indicated that a static quenching, alongside strong affinity, occurred in the process of interaction. Hydrophobic interaction has been further proven as the main force in zein/rutin complexes from the results of molecular dynamics simulation. This work is vital to fully utilize zein for the delivery of bio-compounds.

Keywords: Computer simulation; Encapsulate mechanism; Interaction; Rutin; Zein.