The use of plastics for packaging across many industries has become a standard, however, in recent years there has been an increase in demand for more eco-friendly packaging alternatives. In this vein, the use of plant proteins in film formation has been studied extensively.^1-2 Due to the strong mechanical properties obtained through the use of plant-based proteins, the biodegradability of such materials, and their economic efficiency, these proteins are of substantial interest in the effort to replace current synthetic packaging films.^{3 -5}

In our work, we focus on combining both experimental and computational techniques in order to develop protein-based films for food packaging applications. By combing the two techniques, we aim to better understand the interactions of plant-based proteins with selected plasticizing modifiers in order to develop films with optimal mechanical properties. In our work we compare the interactions of selected modifiers with soy protein and zein protein from corn. In this regard, we apply various computational techniques, including protein-ligand docking^6-7 and molecular modeling methods^8-9 to assess the interactions and then compare our finding with experimental data^1,3,10-11. By modeling how choice plasticizing modifiers interact differently with each protein, we aim to better formulate our films in order to achieve mechanical properties that compete with those of current synthetic packaging systems.

References

1. Calva-Estrada, S. J.; Jiménez-Fernández, M.; Lugo-Cervantes, E. Protein-Based Films: Advances in the Development of Biomaterials Applicable to Food Packaging. Food Engineering Reviews2019, 11(2), 78–92.
2. Park, H. J.; Bunn, J. M.; Weller, C. L.; Vergano, P. J.; Testin, R. F. Water Vapor Permeability and Mechanical Properties of Grain Protein-Based Films as Affected by Mixtures of Polyethylene Glycol and Glycerin Plasticizers. Transactions of the ASAE1994, 37(4), 1281–1285.
3. Ghanbarzadeh, B.; Oromiehi, A. Biodegradable Biocomposite Films Based on Whey Protein and Zein: Barrier, Mechanical Properties and AFM Analysis. International Journal of Biological Macromolecules2008, 43(2), 209–215.
4. Reddy, N.; Yang, Y. Thermoplastic Films from Plant Proteins. Journal of Applied Polymer Science2013, 130(2), 729–738.
5. Shukla, P.; Bhise, S.; Thind, S. S. Roles of Biodegradable Edible Films and Coatings in Food Industry. ACTA Scientific Nutritional Health2019, 3(5), 138–147.
6. Yilmaz, H., Ahmed, L., Rasulev, B., Leszczynski, J. Application of ligand- and receptor-based approaches for prediction of the HIV-RT inhibitory activity of fullerene derivatives, Journal of Nanoparticle Research, 2016, 18(5):123
7. Ahmed L., Rasulev B., Turabekova M., Leszczynska D., Leszczynski J. Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations, Organic & Biomolecular Chemistry, 2013, 11, 5798–5808
8. Turabekova M.A., Rasulev B.F., Levkovich M.G., Abdullaev N.D. and Leszczynski J. Aconitum and Delphinium sp. Alkaloids as Antagonist Modulators of Voltage-Gated Na+ Channels. AM1/DFT Electronic Structure Investigations and QSAR Studies. Computational Biology and Chemistry, 2008, 32, 88-101
9. Simsek, T., Simsek, S., Mayer, C., Rasulev, B. Combined Computational and Experimental Study on the Inclusion Complexes of β-Cyclodextrin with Selected Food Phenolic Compounds, Structural Chemistry, 2019, 30(4), 1395–1406
10. Demchuk, Z.; Kohut, A.; Voronov, S.; Voronov, A. Versatile Platform for Controlling Properties of Plant Oil-Based Latex Polymer Networks. ACS Sustainable Chemistry & Engineering2018, 6(2), 2780–2786.
11. Masamba, K.; Li, Y.; Zhong, F. Effect of Homogenization Stirring Speed on Mechanical and Water Barrier Properties of Gallic Acid Treated Zein-Oleic Acid Composite Films. Food Packaging and Shelf Life2016, 10, 97–105.
12. Kashiri, M.; Cerisuelo, J. P.; Domínguez, I.; López-Carballo, G.; Hernández-Muñoz, P.; Gavara, R. Novel Antimicrobial Zein Film for Controlled Release of Lauroyl Arginate (LAE). Food Hydrocolloids2016, 61, 547–554.