Influence of metallic species for efficient photocatalytic water disinfection: bactericidal mechanism of in vitro results using docking simulation

TiO₂-based heterogeneous photocatalysis systems have been reported with remarkable efficiency to decontaminate and mineralize a range of pollutants present in air and water medium. In the present study, a series of visible light active metal oxide TiO₂ nanoparticle were synthesized and evaluated for their photodegradation efficiency against emerging textile pollutant (Reactive Yellow 145) and antibacterial applications. In the first phase, nanomaterial synthesis was carried out following various synthesis parameters like addition of metallic impurities (different types and concentration) and calcination temperature. In the second phase, synthesized nanomaterials were screened for their performance in terms of photocatalytic degradation of RY145 and the best one (Fe-1-T-3 with 100% RY145 removal within 80 min of irradiation) was further optimized against various reaction parameters. To get knowledge about the insights of nanomaterial performance for degradation of different environmental pollutants, the most important is to understand their physicochemical properties utilizing different characterization techniques. The physical morphology and elemental dispersion of metal-doped TiO₂ nanomaterials were analyzed and results indicated that added metallic impurities were well dispersed onto the substrate surface. The efficient nanomaterials selected from initial screening were further assessed for photocatalytic disinfection efficiency against human pathogenic bacterial strains. Antimicrobial activities of the metal oxide nanomaterial were tested against gram-positive and gram-negative pathogenic bacterial strains. Possible mode of interaction of nanomaterial with bacterial DNA for bacterial cell inactivation was predicted using molecular docking simulation. The research project has the potential to contribute to multiple disciplines like material synthesis, water disinfection, and as green solutions for the textile industry replacing traditional technologies.