Influence of surface texture: A comparative study on antibacterial activities of morphologically tailored zinc oxide.

ABSTRACT

The morphology-dependent antibacterial activity of zinc oxide (ZnO) nanoparticles with three different morphologies, nanowall (NW), nanosphere (NS), and, nanorod (NR) was rigorously investigated to elucidate the influence of shape and size on their performance. Their morphological, surface, and structural characteristics were meticulously analyzed using SEM, BET, and XRD techniques. The antibacterial activity of synthesized ZnO samples was initially investigated and validated through in silico docking studies against nine bacterial strains, specifically targeting 1GCI, 2DCJ, 6KMM and 3T07, 6KVQ, 1MWT from gram-positive Bacillus sp. and Staphylococcus sp. respectively, 6N38, 6CRT, 6GRH from gram-negative E. coli. The docking simulations were performed using Autodock 4.2 software, yielding promising results characterized by negative binding energies, indicative of favorable interactions. The invitro studies were assessed against three same bacteria mentioned above using the disk diffusion method. The results demonstrated a pronounced dependency of antibacterial activity on the surface area, average crystallite size, and surface roughness of ZnO samples. ZnO (NW) exhibited markedly superior antibacterial properties. This enhanced efficacy is attributed to their higher surface area to volume ratio, smaller average crystallite size and increased surface roughness facilitating more efficient interactions with bacterial cell membranes. ZnO (NR) nanoparticles exhibited enhanced antibacterial activity despite minimal surface area.