Thermodynamic computational calculations for preparation 5-fluorouracilmagnetic moleculary imprinted polymers and their application in controlled drug release

Publication date: Available online 4 February 2019Source: Inorganic Chemistry CommunicationsAuthor(s): Laleh Talavat, Ali GünerAbstractThe interaction dynamics between drug-monomer-solvent is the backbone of the thermodynamic calculation in molecular imprinting process and the controlled drug release components. In this regards, thermodynamic computational calculation was used for preparation of magnetic molecular imprinted polymers (MMIPs) and their subsequent application in the controlled release of 5-fluorouracil in the cancer therapy. Cohesive energy density of components (CED)/resolution parameters (δd, δp, δH) are the important characteristic of desired profile and design. Accordingly, the calculations for choosing the best reactants were performed based on the utilization of chemical affinity profiles of Hansen method. Based on the thermodynamic computational calculations, 4-vinylpyridine (4-VP) and acrylic acid (AA) were chosen as optimal monomers to synthesize MMIPs. MMIPs were utilized as the pH responsive nanocarrier systems in the controlled release of 5-fluorouracil (5-FU) as an anti-cancer drug. At first, the Fe3O4 nanoparticles were functionalized by vinyl triethoxysilane moieties and finally, a MIP layer was synthesized on the surface of modified magnetic nanoparticles via precipitation polymerization process. The prepared polymer was characterized by FT-IR spectroscopy, scanning electron microscopy, thermogravimetric analysis (TGA), differential scanning ...

Source: Inorganic Chemistry Communications - February 4, 2019 Category: Chemistry Source Type: research