title: Self-assembling DNA dendrimers: a numerical study.
abstract: DNA is increasingly used as a specific linker to template nanostructured materials. We present a molecular dynamics simulation study of a simple DNA-dendrimer model designed to capture the basic characteristics of the biological interactions, where selectivity and strong cooperativity play an important role. Exploring a large set of densities and temperatures, we follow the progressive formation of a percolating large-scale network whose connectivity can be described by random percolation theory. We identify the relative regions of network formation and kinetic arrest versus phase separation and show that the location of the two-phase region can be interpreted in the same framework as reduced valency models. This correspondence provides guidelines for designing stable, equilibrium self-assembled low-density networks. Finally, we demonstrate a relation between bonding and dynamics, by showing that the temperature dependence of the diffusion constant is controlled by the number of fully unbonded dendrimers.
authors: Dipartimento di Fisica and INFM-CNR-SOFT, Universita di Roma La Sapienza, Piazzale A. Moro 2, 00185 Roma, Italy. julio.largo@phys.uniroma1.it
authors: Julio
authors: J
authors: Largo
authors: Francis W
authors: FW
authors: Starr
authors: Francesco
authors: F
authors: Sciortino
mesh_terms: D001699:Biometry; D020099:Coated Materials, Biocompatible / Q000737:chemistry; D003432:Cross-Linking Reagents; D004247:DNA / Q000737:chemistry*; D066298:In Vitro Techniques; D046911:Macromolecular Substances / Q000737:chemistry; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D020099:Coated Materials, Biocompatible; D003432:Cross-Linking Reagents; D046911:Macromolecular Substances; D004247:DNA