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

Abstract

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 min 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 •O2- played a leading role based on identified intermediates. Moreover, tetracycline photodegradation intermediates and the optimal pathway were identified using LC-MS spectrometry. This study alsoperformed Density Functional Theory (DFT) calculations for the preparedmaterials 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.