摘要

The solvothermal reactions of barium nitrate and 4,4',4 ''-(1,3,5-triazine-2,4,6-triyl) tribenzoic acid (H(3)TATB) in a mixed solvent of N, N-Dimethyl formamide (DMF) and H2O at 120 degrees C leads to the formation of a new Ba(II)-based coordination polymer Ba(HTATB)(H2O)](DMF) 2 (1) based on the ligand as a C-3 symmetric 3-connected organic node and the Ba2+ ion as 5-connected node. The efficient encapsulation of an anticancer drug 5-fluorouracil (5-Fu) on the desolvated 1 (1a) has been studied by grand canonical Monte Carlo (GCMC) simulation. In addition, the MTT assay method was assessed the ability of this drug delivery system on liver cancer HepG2 cells as well as the cytotoxicity of the carrier, which show that this drug loaded system exhibits very high biocompatibility and, hence, is promising as intracellular drug delivery carriers.