Continuum Solvation Models

It is well known that solvation effects are critical to the structural and dynamical properties of macromolecules. In the present case, the polymeric nanoparticles are produced from a very dilute solution and show strong solvent dependencies of the observed photophysical properties. Therefore, modeling the structure of these PPV-based nanoparticles must include the influence of the solvent. Although a full microscopic description of solvation is possible using MD or mechanics with explicit...

Fluorescence Resonance Energy Transfer

Fluorescence resonance energy transfer FRET is a nonradiative transfer of energy between two fluorophores that are placed within close vicinity 20 to 100 A of each other in a proper angular orientation 13,17 . In a typical FRET experiment, a biological macromolecule is labeled at two different positions with a donor and an acceptor fluorophore having spectral overlap. Single-pair FRET between the two fluorophores has been measured to determine the distance between two fluorophores and has been...