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1.
J Environ Manage ; 258: 110038, 2020 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-31929071

RESUMO

Heavy metals are classified as persistent pollutants owing to their nature of bioaccumulation and affect human life and environment, even in minor concentrations. Divalent Cadmium (Cd2+) is one of the heavy metal pollutants that are highly toxic. The present study investigates the novel application of maghemite nanoparticles coated Bacillus subtilis for the removal of Cd2+ ions from its aqueous solution by batch adsorption studies. Surface characterization of the biosorbent done by Scanning Electron Microscope (SEM) and the presence of maghemite nanoparticle coat was confirmed. Parameters like pH, initial metal ion concentration, contact time, and temperature that affect the biosorption of cadmium ions are analyzed, and the equilibrium adsorption capacity expressed as a function of each of the parameters. The mechanism of biosorption was studied by plotting adsorption isotherms, and it follows pseudo-second-order kinetics. Thermodynamic studies showed the process to be spontaneous and endothermic. At optimum conditions of pH 4, 30 °C, 120 rpm, maximum removal percentage of 83.5%, which accounts for an equilibrium adsorption capacity of 32.6 mg/g of biosorbent. There was a recovery of 76.4% of the biosorbent after adsorption studies. Based on the adsorptive capacity and good recovery of the biosorbent, maghemite coated Bacillus subtilis proves to be an efficient adsorbent for the removal of Cd2+ ions from its aqueous solution.


Assuntos
Nanopartículas , Poluentes Químicos da Água , Adsorção , Bactérias , Cádmio , Compostos Férricos , Concentração de Íons de Hidrogênio , Cinética , Temperatura , Termodinâmica
2.
J Biomol Struct Dyn ; : 1-16, 2024 Feb 14.
Artigo em Inglês | MEDLINE | ID: mdl-38353487

RESUMO

Multi-Target Inhibitors are the upcoming frontrunners of the antibiotic world as they provide significant advantage over drug resistance development. Antibacterial drug discovery research, requires more robust and innovative approaches such as multi-target inhibiting drugs, which over comes the innate hurdles in the field of antibiotics. In this current study, a curated set of 5,112 phytochemical molecules were virtually screened for its multi-target inhibition potential against 7 antibacterial protein drug-targets. Behenic Acid was identified to be the most significant phytochemical molecule with potential to inhibit Catalase Peroxidase (KatG), Adenylosuccinate Synthetase (ADSS) and Pyridoxine 5'-Phosphate Synthase (PdxJ), based on SeeSAR and AutoDock Vina results. Further, the inhibition potential of Behenic Acid was validated using 500 ns Molecular Dynamics (MD) Simulation based on Desmond analysis. Behenic Acid was further investigated in-vitro using agar-well-diffusion and Minimal Inhibitory Concentration (MIC) assay, where it demonstrated 20 ± 1mm zone-of-inhibition and 50 µg/ml MIC value against both Vibrio parahaemolyticus and Aeromonas hydrophila. Zebrafish based investigations was carried to confirm the in-vivo antibacterial efficacy of Behenic Acid. It was observed that, there is a progressive dose-dependent recovery from the bacterial infection, with highest recovery and survival observed in fishes fed with 100 µg/day of Behenic Acid. Results of the in-vitro and in-vivo assays strongly support the in-silico prediction of the antibacterial activity of Behenic Acid. Based on the results presented in this study, it is concluded that, Behenic Acid is a strong multi-target antibacterial phytochemical, that exerts antagonism against aquaculture bacterial pathogens such as V. parahaemolytics and A. hydrophila.Communicated by Ramaswamy H. Sarma.

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