Biospecific Properties of Random Copolymers, 2

Abstract

Previous results obtained have shown that it was possible to create biospecific sites onto polymers through statistic modifications of polystyrene derivatives copolymer with given chemical groups or through synthesis of random methacrylate‐based copolymers. Such polymers show biological activities (anticoagulant, cell proliferation modulation …) dependent of the global composition and thus of the statistical distribution of the functional groups, and the number of biospecific sites is simply correlated to the observed biological activity. The study of the radical terpolymerization allows us to use a Monte Carlo based synthesis simulation and to determine the occurrence frequency of three to twenty monomers sequences as a function of the conversion rate and the global composition. The comparison of the sequences occurrence curves as a function of the global composition of the polymers with the experimental cell proliferation inhibition curve led us to extract a series of eight monomers sequences with similar structure properties representing a group of biospecific sites responsible for the observed biological activity.Radical terpolymerization of MMA, MA, and NaSS in DMSO initiated by AIBN.imageRadical terpolymerization of MMA, MA, and NaSS in DMSO initiated by AIBN.

Comprehensive Study of Free Radical Copolymerization Using a Monte Carlo Simulation Method, 1

“…They used Monte Carlo methods to investigate the variation of different triads versus conversion and also compared the simulation results with a classical analytical integration. Validation of the Monte Carlo simulation was described by comparing the results of the model with experimental data 9. Dadmun has quantified the effect of disparity in the reactivity ratios of monomer pairs on the composition distribution and microstructure of copolymers formed through free radical polymerization 10–12.…”