Flame Retardancy and Thermal Behavior of an Unsaturated Polyester Modified with Kaolinite–Urea Intercalation Complexes

Organic modified kaolinite-urea intercalation complex (KUIC) was prepared using dimethyl sulfoxide (DMSO) as the precursor of kaolinite intercalation. Its structure was characterized by Fourier transform infrared (FTIR) and X-ray diffraction (XRD). Subsequently, as a synergistic agent, KUIC was combined with flame retardant ammonium polyphosphate (APP) to improve the flame retardant and smoke suppression performance of unsaturated polyester (UP) resin. A cone calorimeter (CONE) was used to study its flame retardancy and smoke suppression, and a scanning electron microscope (SEM) and thermogravimetry (TG) were used to study the micro morphology of the char and flame retardant mechanism. The results show that 12 phr of APP and 3 phr of KUIC were doped into UP to obtain a 28.0% limiting oxygen index (LOI) value. Compared with UP, the heat release rate and smoke production of UP/APP/KUIC composites were greatly decreased. Meanwhile, KUIC indeed enhanced the mechanical properties of UP.

Thermal properties of Halloysite nanotubes (HNTs) intercalation complexes-A review

The organic/inorganic intercalated complexes have attracted more interests in past. This paper reviewed the layered structure of halloysite nanotubes (HNTs) intercalated by dimethyl sulfoxide (DMSO), potassium acetate (KAc), N-methylformamide (NMF), urea and acrylamide (AM). The microstructure and model of halloysite intercalated complexes were investigated. The research difficulties and application fields of halloysite intercalated complexes were proposed.

Molecular Docking of Biologically Active Substances to Double Helical Nucleic Acids

Molecular docking of ligands to DNA-targets is of great importance for the design of new anticancer drugs. Unfortunately, most docking programs were developed for protein-ligand docking which raises a question about their applicability for the DNA-ligand docking. In this study, the popular docking programs AutoDock Vina, AutoDock4 and AutoDock3 were compared for a test set of 50 DNA-ligand complexes taken from the Nucleic Acid Database. It was shown that the version 3.05 of the AutoDock program was the most successful in reproducing the structures of intercalation and minor-groove complexes. The program AutoDock4 was able to re-dock to within 2 Å RMSD most of the intercalation complexes of the test set, but showed poor performance for minor groove binders. While Vina, on the contrary, failed to construct six intercalation complexes of the test set, but showed satisfactory results for DNA-ligand minor-groove complexes when small search space was used.