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<p>Dye-contaminated water effluent presents a significant challenge for achieving clean water before discharge into natural water bodies. In this study, Thymol and Menthol-based deep eutectic solvents (T:M) were developed for the remediation of the carcinogenic dye, Crystal Violet (CV). Physical analyses confirmed the successful preparation of these solvents. The antibacterial results revealed that the zone of inhibition for <i>Escherichia coli</i> and <i>Bacillus subtilis</i> ranged from 23 to 36&#xa0;mm for all synthesized T:M, demonstrating their strong antibacterial properties. For CV decolorization, T:M achieved a remarkable CV removal efficiency of 98% under optimal conditions: a 1:1 molar ratio, 400 μL of extractant, 15&#xa0;min of contact time, an initial dye concentration of 10&#xa0;ppm, and a pH of 6. The Conductor-like Screening Model for Real Solvents (COSMO-RS), molecular docking, and functional group analysis revealed that strong intermolecular interactions between T:M 1:1 and CV are primarily driven by favourable hydrogen bonding and van der Waals (hydrophobic) interactions. Analysis of real samples demonstrated that the prepared extractant could achieve removal efficiencies ranging from 60 to 98%. The proposed DES exhibited dye removal efficiencies between 60 and 85% for other tested dyes, including Chicago Sky Blue, Coomassie Brilliant Blue G 250, Methyl Red, Methylene Blue, Safranin and Rhodamine B. Green chemistry assessments confirmed that the CV remediation technique using this solvent is environmentally friendly and safe for both humans and the environment. </p> Graphical abstract <p></p>

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Hydrophobic deep eutectic solvent with antibacterial activity for remediation of crystal violet dye: experimental and theoretical investigations

  • 期刊论文

  • 发表日期：

    2025年5月13日

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  • G. K. Zheng,
  • S. K. M. Rozi,
  • Q. Y. Ang,
  • R. Rahamathullah,
  • A. R. W. Yaakub,
  • A. Anuar,
  • F. L. M. Rasdi,
  • M. F. Taha,
  • N. M. Hussein,
  • F. Aburub,
  • S. A. M. Hussin

摘要

Dye-contaminated water effluent presents a significant challenge for achieving clean water before discharge into natural water bodies. In this study, Thymol and Menthol-based deep eutectic solvents (T:M) were developed for the remediation of the carcinogenic dye, Crystal Violet (CV). Physical analyses confirmed the successful preparation of these solvents. The antibacterial results revealed that the zone of inhibition for Escherichia coli and Bacillus subtilis ranged from 23 to 36 mm for all synthesized T:M, demonstrating their strong antibacterial properties. For CV decolorization, T:M achieved a remarkable CV removal efficiency of 98% under optimal conditions: a 1:1 molar ratio, 400 μL of extractant, 15 min of contact time, an initial dye concentration of 10 ppm, and a pH of 6. The Conductor-like Screening Model for Real Solvents (COSMO-RS), molecular docking, and functional group analysis revealed that strong intermolecular interactions between T:M 1:1 and CV are primarily driven by favourable hydrogen bonding and van der Waals (hydrophobic) interactions. Analysis of real samples demonstrated that the prepared extractant could achieve removal efficiencies ranging from 60 to 98%. The proposed DES exhibited dye removal efficiencies between 60 and 85% for other tested dyes, including Chicago Sky Blue, Coomassie Brilliant Blue G 250, Methyl Red, Methylene Blue, Safranin and Rhodamine B. Green chemistry assessments confirmed that the CV remediation technique using this solvent is environmentally friendly and safe for both humans and the environment.

Graphical abstract