In this work, rifampicin-loaded sodium alginate/chitosan polyelectrolyte microparticles were prepared by the ionotropic gelation technique using CaCl2 as a cross-linking agent. The influence of different sodium alginate and chitosan concentrations on particle size, surface properties, and in vitro release behavior was studied. An infrared spectroscopy investigation verified the lack of any drug-polymer interaction. The microparticles prepared using (30, 50) mg of sodium alginate were spherical while when using 75 mg of sodium alginate, vesicles with round heads and tapered tails were formed. The results showed that the microparticle diameters were between (11.872-35.3645) µm. The amount of rifampicin released and the kinetics of drug release from microparticles were studied, and the results showed that by increasing the concentration of the polymer, the release of the rifampicin from the microparticles decreased. The findings showed that rifampicin release followed zero-order kinetics and that drug release from these particles is frequently influenced by diffusion. The electronic structure and characteristics of the conjugated polymers (sodium alginate/Chitosan) were examined using density functional theory (DFT) and PM3 calculations with Gaussian 9, using the B3LYP, and electronic structure calculations using 6-311 G (d,p). The HOMO and LUMO energy levels are determined as the HOMO's maximum and the LUMO's minimum, respectively.Communicated by Ramaswamy H. Sarma.
Keywords: DFT; HOMO & LUMO; rifampicin; sodium alginate/chitosan polyelectrolyte.