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<p>This study explores the potential of cruciferin protein (CPF), derived from mustard oil cake, as a bioflocculant for the removal of metronidazole (MeD) from synthetic pharmaceutical effluent. Given the rising environmental concerns over pharmaceutical contaminants, this research aims to establish CPF as a sustainable alternative to conventional flocculants by integrating molecular docking, process optimization, and mechanistic analysis. To evaluate the feasibility of CPF, in silico molecular docking using AutoDock Vina demonstrated CPF-MeD interactions with a binding energy of -6.27&#xa0;kcal/mol, an inhibition constant of 25.24 µM, and four hydrogen bonds. The bioflocculation process was optimized using the Box-Behnken design, identifying the optimal CPF dosage (2.5&#xa0;g/L), initial MeD concentration (26.5&#xa0;mg/L), settling time (94&#xa0;min), and pH (7.5). Perikinetic modeling was conducted to analyze coagulation mechanisms, while FTIR spectroscopy examined chemical interactions in treated samples. Under optimized conditions, CPF achieved a maximum MeD removal efficiency of 94.57%. The perikinetic study revealed a coagulation rate constant of 0.00543&#xa0;L.mg<sup>-1</sup>min<sup>-1</sup> and a short half-life of 6.94&#xa0;min, suggesting rapid aggregation. Theoretical particle distribution analysis supported enhanced aggregation and sedimentation, while FTIR confirmed structural modifications in CPF post-flocculation, reinforcing its role in MeD removal. This study establishes CPF as an effective, eco-friendly bioflocculant for pharmaceutical wastewater treatment. Valorizing mustard oil cake, aligns with circular economy principles and the 3R (Reduce, Reuse, Recycle) approach, offering a sustainable solution for antibiotic effluent management.</p>

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Valorisation of Mustard Oil Cake as a Green Cohesion Catalyst for Metronidazole Removal from Aqueous Matrices

  • 期刊论文

  • 发表日期：

    2025年5月15日

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  • A. Kavithakani,
  • K. Chithra

摘要

This study explores the potential of cruciferin protein (CPF), derived from mustard oil cake, as a bioflocculant for the removal of metronidazole (MeD) from synthetic pharmaceutical effluent. Given the rising environmental concerns over pharmaceutical contaminants, this research aims to establish CPF as a sustainable alternative to conventional flocculants by integrating molecular docking, process optimization, and mechanistic analysis. To evaluate the feasibility of CPF, in silico molecular docking using AutoDock Vina demonstrated CPF-MeD interactions with a binding energy of -6.27 kcal/mol, an inhibition constant of 25.24 µM, and four hydrogen bonds. The bioflocculation process was optimized using the Box-Behnken design, identifying the optimal CPF dosage (2.5 g/L), initial MeD concentration (26.5 mg/L), settling time (94 min), and pH (7.5). Perikinetic modeling was conducted to analyze coagulation mechanisms, while FTIR spectroscopy examined chemical interactions in treated samples. Under optimized conditions, CPF achieved a maximum MeD removal efficiency of 94.57%. The perikinetic study revealed a coagulation rate constant of 0.00543 L.mg-1min-1 and a short half-life of 6.94 min, suggesting rapid aggregation. Theoretical particle distribution analysis supported enhanced aggregation and sedimentation, while FTIR confirmed structural modifications in CPF post-flocculation, reinforcing its role in MeD removal. This study establishes CPF as an effective, eco-friendly bioflocculant for pharmaceutical wastewater treatment. Valorizing mustard oil cake, aligns with circular economy principles and the 3R (Reduce, Reuse, Recycle) approach, offering a sustainable solution for antibiotic effluent management.