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<p>Photodynamic therapy (PDT), which relies on the production of reactive oxygen species (ROS) induced by a photosensitizer to kill cancer cells, has become a non-invasive approach to combat cancer. However, the conventional aggregation-caused quenching effect, as well as the low ROS generation ability of photosensitizers, restricts their biological applications. Herein, we described the design and synthesis of <b>MAN-NO</b><sub><b>2</b></sub>, a novel nitro-based chalcone and investigate with aggregation induced emission (AIE), HUMO-LUMO, and cellular imaging properties. <b>MAN-NO</b><sub><b>2</b></sub> exhibited AIE in acetonitrile–water mixture and this was confirmed by fluorescence spectroscopy studies. The compound <b>MAN-NO</b><sub><b>2</b></sub> was investigated by computational analysis in which their HUMO-LUMO, optimized geometry, ELF-π values, LOL-π, and pi-pi-stacking are included. The synthesized AIE compound <b>MAN-NO</b><sub><b>2</b></sub> was found to be non-toxic and promising candidate for biological studies. Cell imaging experiments reveals that <b>MAN-NO</b><sub><b>2</b></sub> can effectively enhance the signal-to-noise ratio of imaging by reducing the interference from background due to their impressive AIE characteristics. In HeLa cells, <b>MAN-NO</b><sub><b>2</b></sub> showed notable oxygen responses in hypoxia and normoxia. Compound <b>MAN-NO</b><sub><b>2</b></sub> was discovered to have outstanding qualities as intracellular oxygen probes. This work will provide guidance for the construction of biological applications on the base of AIE-active compounds, which offers multiple opportunities for multiple clinical applications under hypoxic conditions.</p> Graphical Abstract <p></p>

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Biocompatible Nitro Group-Based Photosensitizer for AIE, Hypoxia, and Photodynamic Therapy. Experimental and Theoretical Approach

  • 期刊论文

  • 发表日期：

    2025年4月3日

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  • Maryam Rana,
  • Munaza Pervaiz,
  • Muhammad Arif Ali,
  • Muhammad Ahmad,
  • Laiqi Zhang,
  • Shengnan Yin,
  • Tansir Ahamad,
  • Mansoor Akhtar

摘要

Photodynamic therapy (PDT), which relies on the production of reactive oxygen species (ROS) induced by a photosensitizer to kill cancer cells, has become a non-invasive approach to combat cancer. However, the conventional aggregation-caused quenching effect, as well as the low ROS generation ability of photosensitizers, restricts their biological applications. Herein, we described the design and synthesis of MAN-NO2, a novel nitro-based chalcone and investigate with aggregation induced emission (AIE), HUMO-LUMO, and cellular imaging properties. MAN-NO2 exhibited AIE in acetonitrile–water mixture and this was confirmed by fluorescence spectroscopy studies. The compound MAN-NO2 was investigated by computational analysis in which their HUMO-LUMO, optimized geometry, ELF-π values, LOL-π, and pi-pi-stacking are included. The synthesized AIE compound MAN-NO2 was found to be non-toxic and promising candidate for biological studies. Cell imaging experiments reveals that MAN-NO2 can effectively enhance the signal-to-noise ratio of imaging by reducing the interference from background due to their impressive AIE characteristics. In HeLa cells, MAN-NO2 showed notable oxygen responses in hypoxia and normoxia. Compound MAN-NO2 was discovered to have outstanding qualities as intracellular oxygen probes. This work will provide guidance for the construction of biological applications on the base of AIE-active compounds, which offers multiple opportunities for multiple clinical applications under hypoxic conditions.

Graphical Abstract