Evaluation of tetracycline photocatalytic degradation using NiFe2O4/CeO2/GO nanocomposite for environmental remediation: In silico molecular docking, Antibacterial performance, degradation pathways, and DFT calculations

Graphene-based nanostructures with distinct structural and physicochemical characteristics may be able to photodegrade antibiotics effectively. Herein, this study reports the successful synthesis of NiFe2O4/CeO2/GO nanocomposite (NC) by anchoring NiFe2O4/CeO2 to the surface of GO (Graphene oxide). All state-of-the-art characterization techniques investigated the nanostructure, crystallinity, phonon modes, chemical composition analysis, elemental composition, surface area, magnetic properties, and optical band gap. Hydrothermal approach assisted NiFe2O4/CeO2/GO catalyst showed better charge carrier separation and prompted the tetracycline (TC-HCl) photocatalytic degradation under visible light. Following 90 minutes of exposure to visible light, NiFe2O4/CeO2/GO nanocomposite demonstrated superior photocatalytic activity, with a TC-HCl degradation rate of 95%. Reasonable mechanisms of tetracycline degradation were proposed where the OH and O played a leading role based on identified intermediates. Moreover, tetracycline photodegradation intermediates and the optimal pathway were identified using LC-MS spectrometry. This study also performed Density Functional Theory (DFT) calculations for the prepared materials to validate the experimental data. In vitro, antibacterial studies were consistent with the molecular docking investigations of the NiFe2O4/CeO2/GO nanocomposite against DNA gyrase and FabI from Escherichia coli (E. coli) and Staphylococcus aureus (S.aureus). Lastly, the outcomes revealed a new potential for NiFe2O4/CeO2/GO nanocomposite for improved photocatalytic performance, making it a promising photocatalyst for wastewater treatment.