Molecular Modeling and Dynamics Studies of Hexanal Release from Polyvinyl alcohol - Cyclodextrin Nano-fiber Composite for Extending Shelf-life of Mango
Author:Krithika V. Palanisamy, Jeya Sundara Sharmila D, Kizhaeral S. Subramanian
Postharvest losses are huge in fruits that can be reduced by exposing themto a biomolecule hexanal, which is known to alter the physiological changesresulting in an extension of shelf-life. Hexanal is a highly volatile compound,it is naturally produced by plants. Its external application extends shelf-life offruits during storage by inhibiting phospholipase â€“D enzyme in the cell wall.A study was undertaken to examine the kinetics of hexanal release from thepolyvinyl alcohol â€“ Î² cyclodextrin encapsulated nanofiber composite using amolecular modeling approach. The present study focussed on the analysisof the influence of relative humidity and temperature on the nanofibercomposite to release hexanal. The release and retention behavior of hexanalwas investigated with the relative humidity range of 50%- 95% at 27Â°C and33Â°C. The molecular modeling studies have confirmed that the hexanal vaporrelease is altered with humidity and temperature regimes. This can be usedfor the fabrication of a delivery system for hexanal in extending the shelf-lifeof fruits in storage godowns.
Key words : Polymer; Molecular Modeling, Polyvinyl alcohol; Cyclodextrin; Hexanal; Release Kinetics