Enhancing the structural and optoelectronic properties of carboxymethyl cellulose sodium filled with ZnO/GO and CuO/GO nanocomposites for antimicrobial packaging applications

One of the biggest challenges in food packaging is the creation of sustainable and eco-friendly packaging materials to shield foods from ultraviolet (UV) photochemical damage and to preserve the distinctive physical, chemical, and biological characteristics of foods throughout the supply chain. Accordingly, this study focuses on enhancing the UV shielding properties and biological activity of carboxylmethyl cellulose sodium (CMC) through modifications using zinc oxide (ZnO), copper oxide (CuO), and graphene oxide (GO) using the solution casting technique. The hybrid nanocomposites were characterized by fourier-transform infrared (FTIR) spectrophotometer, ultraviolet-visible (UV-Vis) spectrophotometer, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and x-ray diffraction (XRD). Significant interactions between CMC and the metal oxide/GO nanocomposites were revealed by FTIR analysis, which reflects the formation of hydrogen bonding between CMC and the nanocomposites. XRD confirmed the functionalization of CMC with ZnO/GO and CuO/GO nanocomposites. Additionally, the CMC film showed a decrease in the optical bandgap from 5.53 to 3.43 eV with improved UV shielding capacity. Moreover, the composite films had excellent refractive index and optical conductivity values of 1.97 and 1.56 × 10¹⁰ Ω cm^{- 1}, respectively. SEM and EDX analysis confirmed the formation of ZnO/GO and CuO/GO within the CMC matrix. Thus, dedicates that the CMC nanocomposites have promising applications in packaging materials. These results were confirmed by the quantum mechanical calculations utilizing density functional theory (DFT). Total dipole moment (TDM), frontier molecular orbitals (FMOs), chemical reactivity descriptors, and molecular electrostatic potential (MESP) maps were all studied using the B3LYP/LanL2DZ model. The TDM and FMO investigations revealed that the CMC/CuO/GO model has the highest TDM (84.031 Debye) and the smallest band gap energy (0.118 eV). Moreover, CMC's reactivity increased after CuO/GO nanocomposites integration, as demonstrated by MESP mapping. Finally, the antibacterial activity of pure CMC, CMC/ZnO/GO, and CMC/CuO/GO nanocomposite films was evaluated against Staphylococcus aureus and Escherichia coli. The zones of inhibition data showed that both CMC/ZnO/GO and CMC/CuO/GO exhibited higher antibacterial activity than CMC alone, particularly against S. aureus. The inhibition zones for CMC/ZnO/GO and CMC/CuO/GO against S. aureus were 16 mm and 14 mm, respectively, suggesting enhanced susceptibility of S. aureus compared to E. coli. These results highlight the significant potential of ZnO and CuO NPs in improving the antimicrobial efficacy of CMC nanocomposites.