Insights into the application of polyhydroxyalkanoates derivatives from the combination of experimental and simulation approaches

The combination of spectroscopy studies with simulation models can be a useful tool to predict the applications of macromolecules. However, it is currently unknown if applications of polyhydroxyalkanoate (PHA) derivatives can be determined with this methodology. Here, we used a new nuclear magnetic resonance (NMR) technique to structurally characterize poly (3-hydroxybutyrate) grafted with 2-aminoethyl methacrylate and combined the experimental...