Synthesis, characterizations, electrochemical and molecular docking studies of Co_<i>x</i>Fe_1–<i>x</i>Fe₂O₄/Fe₂O₃ nanoparticle

Abstract The advantageous magnetic, optical, and antibacterial properties of magnetic nanoparticles have recently drawn a lot of attention in the field of biomedicine. One of the most famous super paramagnetic materials, nanoferrite, is made up of two types of spinel structures: inverse and normal. Cobalt ferrite’s inverse spinel structure offers several benefits, including excellent magnetostrictivity, good coupling efficiency, and inexpensive cost. This study’s objective is to synthesize, characterize, and investigate the characteristics of the electrochemical properties of Co x Fe 1− x Fe 2 O 4 /Fe 2 O 3 ( x = 0.30 and 0.77) nanoparticles using the chemical co-precipitation method. The physical properties of the produced nanoparticles were investigated using x-ray diffraction (XRD), transmission electron microscopy (TEM), and a vibrating sample magnetometer (VSM). The band gap properties of magneto-nano powders, including the direct and indirect band gap energies, and Urbach energy, are found. Scanning electron microscopy showed the presence of spherical nanoparticles ranging from 20.7 nm–23.7 nm. The analysis of Co x Fe 1− x Fe 2 O 4 /Fe 2 O 3 ( x = 0.30 and 0.77) nanoparticles, for instance, reveals differences in their surface characteristics that are significant for their potential applications. Parameters like d norm , d e , and d i , along with shape index and curvedness, contribute to a comprehensive understanding of the molecular surface, which is crucial for the design of new materials with desired physical and chemical properties. Molecular docking studies have revealed promising interactions between certain crystals and DNA gyrase, mirroring the binding mode of known inhibitors. This suggests potential for these crystals to serve as antimicrobial agents in future research. Such findings are crucial as they contribute to the development of new treatments against antibiotic-resistant bacteria, a growing global health concern.