Molecular Dynamics Studio of Poly(VINYL Alcohol) Mechanical Properties for its Incorporation in Bones Structures as a PVA-PLA Substrate for Tissue Regeneration

Abstract

Materials may be strong or ductile, but rarely both at once. Recent studies have shown that nanostructured material may lead to a unique combination of exceptionally high strength and ductility. The analysis and characterization of these properties will open new paths for many applications. Using the technique down to top, we can generate new structures that can be used on many applications for example in bone regeneration. One way for achieving this is combining PLA, PVA and functionalized nanoparticles. The last component will help to the structures with the cellular regeneration. In order to better understand this system, first the PVA properties will be studied to verify its functional use in this kind of structures. Computational techniques will be used to build the structures, study their properties and to simulate its behavior when interacting with other components. The objective of this study is to characterize the scaffolds for tissue engineering in terms of mechanical properties and descriptors that will help to predict its biodegradability. In silico experimental studies were used to characterize a descriptor that can be related with the biodegradability of the material, solvent accessibility, once the new tissue starts to grow over the scaffold material.