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<p>The growing demand for rapid and non-invasive diabetes monitoring has motivated the present study, which explores the potential of the BeN₃ nanostructure as a novel acetone (Ac) sensing material. Acetone is recognized as an important biomarker associated with diabetes and can be detected in exhaled breath. In this work, a comprehensive density functional theory (DFT) investigation was performed to evaluate the adsorption behavior and sensing characteristics of the proposed material toward acetone molecules. The results reveal that the BeN₃ monolayer exhibits a pronounced electronic response upon acetone adsorption, accompanied by significant charge transfer and a substantial reduction in the HOMO–LUMO gap. Furthermore, the calculated recovery time is 2.79 × 10² s at room temperature and decreases to 5.69 × 10⁻³ s under thermal activation conditions, indicating the possibility of efficient sensor regeneration at elevated temperatures. The strong interaction between acetone molecules and the BeN₃ surface highlights the potential of this material as a promising candidate for acetone sensing applications. Overall, the present theoretical findings suggest that BeN₃ may serve as a promising platform for the development of acetone-sensitive gas sensors and breath-analysis technologies. However, further experimental investigations are required to validate its sensing performance under realistic operating conditions, including assessments of selectivity, humidity effects, detection limits, long-term stability, and real-sample measurements before practical or clinical applications can be established.</p>

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Rapid and efficient detection of acetone as a biomarker for a non-invasive strategy for diabetes assay by using BeN3 nanostructure

  • 期刊论文

  • 发表日期：

    2026年6月23日

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  • Narinderjit Singh Sawaran Singh,
  • Abdulsalam Q. Almashhadani,
  • Kamel A. Saleh,
  • G. Padma Priya,
  • Subhashree Ray,
  • Amrita Pal,
  • Renu Sharma,
  • Timur Ismailov,
  • Khijran Mominova,
  • Dilshod Raupov,
  • Huseyn Imanov

摘要

The growing demand for rapid and non-invasive diabetes monitoring has motivated the present study, which explores the potential of the BeN₃ nanostructure as a novel acetone (Ac) sensing material. Acetone is recognized as an important biomarker associated with diabetes and can be detected in exhaled breath. In this work, a comprehensive density functional theory (DFT) investigation was performed to evaluate the adsorption behavior and sensing characteristics of the proposed material toward acetone molecules. The results reveal that the BeN₃ monolayer exhibits a pronounced electronic response upon acetone adsorption, accompanied by significant charge transfer and a substantial reduction in the HOMO–LUMO gap. Furthermore, the calculated recovery time is 2.79 × 10² s at room temperature and decreases to 5.69 × 10⁻³ s under thermal activation conditions, indicating the possibility of efficient sensor regeneration at elevated temperatures. The strong interaction between acetone molecules and the BeN₃ surface highlights the potential of this material as a promising candidate for acetone sensing applications. Overall, the present theoretical findings suggest that BeN₃ may serve as a promising platform for the development of acetone-sensitive gas sensors and breath-analysis technologies. However, further experimental investigations are required to validate its sensing performance under realistic operating conditions, including assessments of selectivity, humidity effects, detection limits, long-term stability, and real-sample measurements before practical or clinical applications can be established.