Protein Forced Unfolding and Its Effects on the Finite Deformation Stress-Strain Behavior of Biomacromolecular Solids

Abstract

AbstractMany proteins have been experimentally observed to exhibit a force-extension behavior with a characteristic repeating pattern of a nonlinear rise in force with imposed displacement to a peak, followed by a significant force drop upon reaching the peak (a “saw-tooth” profile) due to successive unfolding of modules during extension. This behavior is speculated to play a governing role in biological and mechanical functions of natural materials and biological networks composed of assemblies of such protein molecules. In this paper, a constitutive model for the finite deformation stress-strain behavior of crosslinked networks of modular macromolecules is developed. The force-extension behavior of the individual modular macromolecule is represented using the Freely Jointed Chain (FJC) statistical mechanics model together with a two-state theory to capture unfolding. The single molecule behavior is then incorporated into a formal continuum mechanics framework to construct a constitutive model. Simulations illustrate a relatively smooth “yield”-like stress-strain behavior of these materials due to activate unfolding in these microstructures.