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Area of Science:

  • Materials Science
  • Chemistry
  • Biomedical Engineering

Background:

  • Aggregation-induced emission (AIE) provides efficient solid-state photoluminescence, crucial for advanced applications.
  • AIE luminogens (AIEgens) emitting in the second near-infrared window (NIR-II, 1000-1700 nm) are highly promising for biomedical imaging and therapy.
  • The molecular design and mechanisms governing the balance between fluorescence and photothermal effects in NIR-II AIEgens are not well understood.

Purpose of the Study:

  • To review the latest advancements in molecular design guidelines for developing efficient NIR-II emitters and photothermal agents with AIE attributes.
  • To elucidate the photophysical processes controlling the fluorescence and photothermal functions of AIEgens.
  • To discuss strategies for optimizing the balance between radiative (fluorescence) and non-radiative (photothermal) pathways.

Main Methods:

  • Review of recent literature on molecular design strategies for NIR-II AIEgens.
  • Analysis of photophysical mechanisms, including intramolecular motions and aggregation effects.
  • Discussion of structure-property relationships for optimizing fluorescence efficiency and photothermal conversion.

Main Results:

  • Molecular design guidelines for enhancing NIR-II emission and photothermal effects in AIEgens are presented.
  • Optimization of fluorescence efficiency is achieved by controlling multi-hierarchical structures, from single molecules to aggregates.
  • Intramolecular motions in aggregates play a key role in balancing fluorescence imaging and photothermal therapy functions.

Conclusions:

  • NIR-II AIEgens demonstrate significant potential for advanced biomedical theranostics, including fluorescence/photoacoustic imaging and photothermal therapy.
  • Understanding and controlling molecular design and photophysical processes are critical for maximizing the dual functionality of these materials.
  • Further research is needed to address challenges and explore future perspectives for *in vivo* applications of NIR-II AIEgens.