Concurrent photocatalytic degradation of organic pollutants using smart magnetically cellulose-based metal organic framework nanocomposite

Industrial activities, especially textiles and cosmetics, release harmful wastewater, threatening the environment and human health. Photocatalysis has emerged as an effective, eco-friendly solution for these issues, particularly using metal-organic frameworks (MOFs) for water treatment. This study explores the performance, computational analysis, and mechanistic behavior of a novel magnetically responsive cellulose-based metal-organic framework (MOF) nanocomposite, DAC@PdA@FM, for the simultaneous photocatalytic degradation of Toluidine Blue O (TBO), Crystal Violet (CV), and Sunset Yellow FCF (E110) dyes. The material was synthesized using a controlled oxidation method and characterized using FTIR, XRD, EDX, SEM, TGA techniques and PPPS saturation magnetization properties. The uptake capacity of DAC@PdA@FM toward organic dyes as TBO, CV, and E110 from water, achieving reductions of 988.75, 1242.5, and 497 mg/g, respectively, within short time frames.The kinetic and isotherm studies were best fitted by PSO and the Langmuir models due to the higher correlation coefficient (R² ≥ 0.999) and the lower error functions. The nanocomposite exhibited enhanced reusability and separation efficiency due to its superparamagnetic nature. Density functional theory (DFT) calculations confirmed the electronic structure and charge transfer mechanisms. Comparative analysis with previous studies confirmed superior degradation efficiency. The results also suggest that the MOF: DAC@PdA@FM nanocomposite possesses notable antimicrobial activity, particularly against gram-ve bacteria. These findings suggest that the MOF: DAC@PdA@FM nanocomposite is a promising applicant for wastewater treatment applications. The catalytic degradation mechanism for dyes on the prepared MOF:DAC@PdA@FM nanocomposite involves various interactions, including electrostatic attraction, pore-filling, π-π stacking, and hydrogen bonding. Also, The results suggest that utilizing pre-prepared MOF:DAC@PdA@FM nanocomposite could serve as a potent and efficient antimicrobial agent.