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<p>Decolorization of dyes is a crucial process in wastewater treatment because it reduces the possibility of involving toxic chemicals in the environment. The present study explored the utilization and analyzed the effect of <i>Artocarpus heterophyllus</i> leaf extract on the decolorization of methylene blue dye via different studies. The extract of <i>Artocarpus heterophyllus</i> or jackfruit leaves was prepared by washing and drying followed by grinding the leaves into a fine powder and used to decolorize methylene blue dye. The results showed that the <i>Artocarpus heterophyllus</i> leaf extract effectively decolorized dyes, with a maximum dye removal efficiency. The optimal conditions for dye decolorization were found to be at room temperature in a contact time of 7&#xa0;days and tested using UV–Visible spectroscopy. A higher decolorization rate of 76.2% was observed in Sample B. Further, it was found that the dye degradation was faster in acidic conditions due to the presence of quaternary ammonium cation and a phenothiazine ring, which undergoes protonation and is easily soluble in water. The influence of methylene blue on seed germination was investigated. According to the findings of this study, methylene blue exhibits phytotoxic effects that may have an influence on plant growth and development as well as the surrounding ecology. The nature of possible electronic transitions and natural transition orbitals responsible for absorption maxima was performed theoretically using TD-DFT (time-dependent density functional theory) for methylene blue. The findings of this study suggest that <i>Artocarpus heterophyllus</i> leaf extract can be used as a cost-effective and eco-friendly alternative for the decolorization of dyes in wastewater treatment.</p> Graphical Abstract <p></p>

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A TD-DFT Exploration and Artocarpus heterophyllus Plant Leaf Extract-Based Decolorization of Methylene Blue

  • 期刊论文

  • 发表日期：

    2025年11月19日

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  • C. M. Ugendar,
  • A. S. Pani,
  • K. Rambabu,
  • Naina,
  • P. Singh,
  • K. Sivakumar,
  • M. Rahaman,
  • I. Bahadur,
  • Ch. Prasad

摘要

Decolorization of dyes is a crucial process in wastewater treatment because it reduces the possibility of involving toxic chemicals in the environment. The present study explored the utilization and analyzed the effect of Artocarpus heterophyllus leaf extract on the decolorization of methylene blue dye via different studies. The extract of Artocarpus heterophyllus or jackfruit leaves was prepared by washing and drying followed by grinding the leaves into a fine powder and used to decolorize methylene blue dye. The results showed that the Artocarpus heterophyllus leaf extract effectively decolorized dyes, with a maximum dye removal efficiency. The optimal conditions for dye decolorization were found to be at room temperature in a contact time of 7 days and tested using UV–Visible spectroscopy. A higher decolorization rate of 76.2% was observed in Sample B. Further, it was found that the dye degradation was faster in acidic conditions due to the presence of quaternary ammonium cation and a phenothiazine ring, which undergoes protonation and is easily soluble in water. The influence of methylene blue on seed germination was investigated. According to the findings of this study, methylene blue exhibits phytotoxic effects that may have an influence on plant growth and development as well as the surrounding ecology. The nature of possible electronic transitions and natural transition orbitals responsible for absorption maxima was performed theoretically using TD-DFT (time-dependent density functional theory) for methylene blue. The findings of this study suggest that Artocarpus heterophyllus leaf extract can be used as a cost-effective and eco-friendly alternative for the decolorization of dyes in wastewater treatment.

Graphical Abstract