Computational Analysis of Biodegradable Polyester Materials for Biomedical Applications: Investigating Molecular Weight Change due to Hydrolysis

ACS Omega. 2024 Apr 17;9(17):19108-19116. doi: 10.1021/acsomega.3c10112. eCollection 2024 Apr 30.

Abstract

Biopolymers have gained significant importance in the field of biomedicine, particularly in addressing organ and tissue loss in living organisms. These polymers exhibit temporary functionality during treatment and undergo biodegradation once their intended purpose is fulfilled. The diverse characteristics of these biopolymers expand their range of applications, albeit necessitating extensive experimentation and a time commitment for thorough investigation. Computational models have emerged as a promising avenue for predictive analysis, complementing traditional experimental methods. In this study, we delve into the degradation dynamics of polyester materials with a specific emphasis on the hydrolysis process. We employed an appropriate reaction diffusion model to unveil the underlying mechanisms governing material weight loss and erosion within a two-dimensional framework for a rectangular slice of the implant. By bridging computational modeling with empirical research, this study provides valuable insights into the behavior of biopolymers, contributing to a deeper understanding of these materials and their potential for advanced biomedical applications. To illustrate this framework's effectiveness, we conducted a case study using experimental data from the literature, focusing on poly(d,l-lactic acid) material.