Green synthesis, characterization, and application of Fe3O4 nanoparticles for methylene blue removal: RSM optimization, kinetic, isothermal studies, and molecular simulation.

Methylene Blue (MB) is a cationic dye causing various health problems such as asthma, heartbeat, eye and skin irritation, nausea, and distress during prolonged exposure. In this regard, the green magnetite nanoparticle was synthesized using the extract of Prosopis farcta. The synthesized Fe3O4nanoparticle was characterized by X-ray powder diffraction (XRD), Field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), Fourier transforms Infrared spectroscopy (FTIR), vibrating sample magnetometer (VSM), and Brunauer-Emmett-Teller (BET). The corresponding parameters, including the primary concentration of MB (5-65 mg/L), the dose of synthesized nanoparticle (0.025-0.925 g/L), solution pH (3-11), and contact time (20-60 min), were considered. Also, central composite design (CCD), as one of the response surface methodologies (RSM), was used for the related modelling and optimization. The particle size of the adsorbent was between 5 and 70 nm, and the nanoparticle has 206.75 m2/g of a specific surface, 6.1 nm of average pore size, and 0.3188 cm3/g of the total pore volume. The optimal conditions for MB removal by the nanoparticle were found to follow an initial MB concentration of 20 mg/L, 0.7 g/L of the nanoparticle dose, pH = 9, and a contact time of 50 min. The pseudo-second-order (PSO) and Freundlich models were the best kinetic and isothermal models for MB removal by the synthesized nanoparticle. Molecular modelling was used to optimize the MB molecular configuration and compute HOMO-LUMO energies, quantum-chemical descriptors, and molecular electrostatic potential to evaluate the nature reactivity of the MB molecule.

Decolorization mechanism, identification of an FMN-dependent NADH-azoreductase from a moderately halotolerant Staphylococcus sp. MEH038S, and toxicity assessment of biotransformed metabolites.

The application of halotolerant microorganisms capable of decolorizing is attractive. Decolorization mechanism, the effect of different parameters on the decolorization percentage, and toxicity analysis of Reactive Black 5 before and after decolorization were investigated in the present study. The decolorization percentage for live cells of Staphylococcus sp. strain MEH038S was more than dead cells, which demonstrated that Reactive Black 5 was decolorized through the degradation process. The results confirmed that an FMN-dependent NADH-azoreductase gene was responsible for the decolorization and then was identified as Staphylococcus sp. EFS01 azoreductase from a moderately halotolerant Staphylococcus strain for the first time. The maximal decolorization of 98.15% was observed at pH 6.5 and 35 ° C for 50 mg/L of Reactive Black 5. In addition, more than 90% decolorization was achieved with 5-40 g/L of NaCl. The results of Gas chromatography-mass spectrometry and Fourier transform infrared spectroscopy showed that Reactive Black 5 was broken to the lower molecular weight compounds without any chromophoric azo groups. Phytotoxicity and fish toxicity proved that the biotransformed metabolites of Reactive Black 5 degradation were more toxic than the original dye. The moderate halotolerant strain exhibited a remarkable decolorization capability and can be applied for textile wastewater treatment. PRACTITIONER POINTS: An azoreductase gene from a moderately halotolerant Staphylococcus was identified. More than 90% decolorization efficiency was observed under high-salt conditions. Biotransformed metabolites of RB5 degradation were identified. Toxicity analysis of biotransformed metabolites was investigated.