Structural Effects of DNA on Thermodynamic Stability of DNA-Dendronized Polymer Nanoclusters and Nanoclusteration Process

We studied the means by which DNA-dendronized polymer nanoclusters and the nanoclusteration process are affected by structural properties of the nanocluster components, including the length of dendronized polymer, wrapping radius of DNA, and surface charge densities on the DNA and dendronized polymer, by calculating the total free energy of the system and free energy of the nanoclusteration process. The most thermodynamically stable nanocluster conformation was then predicted based on the values of the free energies. It was found that the nanoclusters with longer dendronized polymers, shorter DNA wrapping radius, and larger surface charge density on both the DNA and dendronized polymers are more stable