Molecular Modeling and Dynamics Studies of Hexanal Release from Polyvinyl alcohol - Cyclodextrin Nano-fiber Composite for Extending Shelf-life of Mango

Abstract

Postharvest losses are huge in fruits that can be reduced by exposing them to a biomolecule hexanal, which is known to alter the physiological changes resulting in an extension of shelf-life. Hexanal is a highly volatile compound, it is naturally produced by plants. Its external application extends shelf-life of fruits during storage by inhibiting phospholipase-D enzyme in the cell wall. A study was undertaken to examine the kinetics of hexanal release from the polyvinyl alcohol-β cyclodextrin encapsulated nanofiber composite using a molecular modeling approach. The present study focussed on the analysis of the influence of relative humidity and temperature on the nanofiber composite to release hexanal. The release and retention behavior of hexanal was investigated with the relative humidity range of 50%-95% at 27°C and 33°C. The molecular modeling studies have confirmed that the hexanal vapor release is altered with humidity and temperature regimes. This can be used for the fabrication of a delivery system for hexanal in extending the shelf-life of fruits in storage godowns.