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<p>Improper disposal of anticancer drugs has become a severe environmental issue, leading to contamination of water resources. To address this, a novel strategy was developed for the detection, quantification, and degradation of these pollutants using L-glutathione capped molybdenum disulfide quantum dots (GSH-MoS₂ QDs) synthesized via a hydrothermal process. The resulting GSH-MoS₂ QDs were designed for selective sensing and photocatalytic degradation, with their biocompatible and eco-friendly nature ensuring safe and efficient catalytic performance. The in-situ surface functionalization of MoS₂ with GSH was confirmed through FT-IR, XPS, XRD, EDX, HRTEM, UV–vis, and fluorescence spectroscopy. The photocatalytic performance was evaluated for degradation of doxorubicin (DOX) in aqueous samples, achieving ~ 98% degradation within 60&#xa0;min. Efficient charge transfer and a suitable band gap (1.43&#xa0;eV) were identified as key factors contributing to this performance, further supported by XPS valence band studies. Additionally, GSH-MoS₂ QDs exhibited excellent sensitivity for DOX detection as a fluorescence sensor, with a limit of detection (LOD) of 3.0 µM. To further elucidate catalyst–pollutant interactions, computational simulations using Quantum ESPRESSO provided insights into adsorption energy, charge transfer, and electronic structure, supporting the experimental results. Overall, GSH-MoS₂ QDs demonstrate strong potential for monitoring and degradation of pharmaceutical pollutants in aqueous environments.</p><p></p>

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Biocompatible GSH-capped MoS₂ quantum dots for selective fluorescence sensing and degradation of chemotherapeutic pollutants: mechanistic insights from experimental and first-principles studies

  • 期刊论文

  • 发表日期：

    2026年7月1日

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  • Shubham Pathak,
  • Jaspreet Kaur,
  • Sonam .,
  • Kanika Thakur,
  • Simranjit Kaur,
  • Neetu Goel,
  • Sonal Singhal

摘要

Improper disposal of anticancer drugs has become a severe environmental issue, leading to contamination of water resources. To address this, a novel strategy was developed for the detection, quantification, and degradation of these pollutants using L-glutathione capped molybdenum disulfide quantum dots (GSH-MoS₂ QDs) synthesized via a hydrothermal process. The resulting GSH-MoS₂ QDs were designed for selective sensing and photocatalytic degradation, with their biocompatible and eco-friendly nature ensuring safe and efficient catalytic performance. The in-situ surface functionalization of MoS₂ with GSH was confirmed through FT-IR, XPS, XRD, EDX, HRTEM, UV–vis, and fluorescence spectroscopy. The photocatalytic performance was evaluated for degradation of doxorubicin (DOX) in aqueous samples, achieving ~ 98% degradation within 60 min. Efficient charge transfer and a suitable band gap (1.43 eV) were identified as key factors contributing to this performance, further supported by XPS valence band studies. Additionally, GSH-MoS₂ QDs exhibited excellent sensitivity for DOX detection as a fluorescence sensor, with a limit of detection (LOD) of 3.0 µM. To further elucidate catalyst–pollutant interactions, computational simulations using Quantum ESPRESSO provided insights into adsorption energy, charge transfer, and electronic structure, supporting the experimental results. Overall, GSH-MoS₂ QDs demonstrate strong potential for monitoring and degradation of pharmaceutical pollutants in aqueous environments.