The possibility of applying some heteroatom- decorated g-C₃N₄ heterocyclic nanosheets for delivering 5-aminosalicylic acid anti-inflammatory agent

Abstract

In the present project, the heteroatom-decorated graphitic carbon nitride (X-g-C₃N₄) derivatives were chosen as heterocyclic nanosheets to investigate the probability of applying these vehicles for transporting of the 5-aminosalicylic acid (5-ASA) anti-inflammatory agent. The results of the potential energy surface calculations were applied for the investigation of the adsorption/desorption behavior of each derivative of g-C₃N₄. The data have indicated that between all of the considered derivatives, adsorption of 5-ASA by P-doped g-C₃N₄ derivate was the most favorable process (–28.59 kcal/mol). Also, the results revealed that placing Al or P atoms in the g-C₃N₄ will increase its adsorption capacity toward 5-ASA residues, while decrease its sensitivity. In addition, decorating with a nitrogen atom the gC₃N₄ nanosheet enhances both its sensitivity and its adsorption ability toward 5-ASA residues.