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Perylene Diimide Derivatives: From Molecular Engineering to Precision Cancer Theranostics.

Xilong Wu1, Chaojun Jing1

  • 1School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, China.

Luminescence : the Journal of Biological and Chemical Luminescence
|June 2, 2026
PubMed
Summary

Perylene diimide (PDI) derivatives show promise for biomedical applications like cancer therapy. This review details strategies to overcome challenges such as poor solubility and aggregation, enhancing their diagnostic and therapeutic potential.

Keywords:
chemotherapyfluorescent probesperylene diimide derivativesphotoacoustic imagingphototherapy and diagnosis

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Area of Science:

  • Organic Optoelectronics
  • Biomedical Applications
  • Materials Science

Background:

  • Perylene diimide (PDI) derivatives are organic optoelectronic materials with a rigid π-conjugated framework.
  • They possess high fluorescence quantum yield (FQY), tunable photophysical properties, and photochemical stability.
  • PDIs have been explored for fluorescence imaging, photoacoustic imaging, and tumor phototherapy (PDT and PTT).

Purpose of the Study:

  • To systematically review research progress of PDIs in biomedical fields.
  • To focus on molecular design strategies for spectral redshift, water solubility enhancement, and phototherapeutic performance optimization.
  • To elaborate on structure-property relationships from molecular orbital engineering and aggregation state regulation.

Main Methods:

  • Systematic literature review of PDI derivatives in biomedical applications.
  • Analysis of molecular design strategies including spectral redshift and solubility enhancement.
  • Elaboration of structure-property relationships through molecular orbital engineering and aggregation state control.

Main Results:

  • PDIs exhibit potential in fluorescence imaging, photoacoustic imaging, PDT, and PTT.
  • Key challenges include insufficient water solubility, aggregation-caused quenching (ACQ), limited tissue penetration, and suboptimal photothermal conversion efficiency (PCE).
  • Molecular design strategies can address these limitations, improving diagnostic and therapeutic performance.

Conclusions:

  • PDIs offer significant potential for advanced biomedical diagnostics and therapeutics.
  • Overcoming challenges in solubility, aggregation, and spectral properties is crucial for clinical translation.
  • Rational design based on structure-property relationships will guide the development of next-generation PDI agents.