Unveiling photophysical mechanisms of NIR-II AIE luminogens for multimodal imaging-navigated synergistic therapies
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Published on: March 17, 2023
Jun Zhu1,2, Yiqi Zhu3, Yuxun Ding1
1Center for AIE Research, Shenzhen Key Laboratory of Polymer Science and Technology, Guangdong Provincial Key Laboratory of New Energy Materials Service Safety, College of Material Science and Engineering, Shenzhen University, Shenzhen 518060, China.
Abstract:
Multimodal phototheranostics has been recognized as one of the most momentous advances in cancer treatment. Of particular interest is a single molecular species simultaneously featuring in multiple imaging and synergistic phototherapies; the development of such a molecular species is nevertheless a formidably challenging task. Herein, we innovatively designed and synthesized three aggregation-induced emission (AIE)-active molecules with emission in the second near-infrared (NIR-II) window, by employing 10H-indeno[1,2-b][1,2,5]thiadiazolo[3,4-g]quinoxalin-10-one as the electron acceptor, 4-(tert-butyl)-N-(4-(tert-butyl)phenyl)-N-phenylaniline as the electron donor, and different π-bridge moieties. One of those molecules, namely 4,12-bis(7-(4-(bis(4-(tert-butyl)phenyl)amino)phenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-10H-indeno[1,2-b][1,2,5]thiadiazolo[3,4-g]quinoxalin-10-one (OTTITQ), is capable of affording long absorption and emission wavelengths, efficient type I reactive oxygen species generation, and high photothermal conversion efficiency. Quantum chemical calculations and molecular dynamics simulations substantiated the structure-activity relationship of the molecules, the excited-state energy dissipation pathways and the impact of intramolecular motions on photophysical properties, while elucidating the mechanism of the AIE phenomenon. Moreover, OTTITQ nanoparticles offer unprecedented performance on fluorescence-photoacoustic-photothermal trimodal imaging-navigated photodynamic-photothermal synergistic therapies for bladder cancer.
Insights
Researchers developed novel aggregation-induced emission (AIE) molecules for advanced cancer treatment. One molecule, OTTITQ, enables multimodal imaging and synergistic phototherapies for bladder cancer.
Area of Science:
- * Advanced materials science
- * Biomedical engineering
- * Nanotechnology
Background:
- * Multimodal phototheranostics represents a significant advancement in cancer treatment.
- * Developing single molecular species for simultaneous multiple imaging and synergistic phototherapies is challenging.
- * Aggregation-induced emission (AIE) active molecules offer unique photophysical properties for theranostics.
Purpose of the Study:
- * To design and synthesize novel AIE-active molecules emitting in the second near-infrared (NIR-II) window.
- * To investigate the structure-activity relationship and photophysical properties of these molecules.
- * To evaluate the performance of a designed molecule (OTTITQ) for trimodal imaging-guided synergistic cancer therapy.
Main Methods:
- * Synthesis of three AIE-active molecules using specific electron acceptor, donor, and π-bridge moieties.
- * Characterization of photophysical properties, including absorption, emission, and reactive oxygen species generation.
- * Quantum chemical calculations and molecular dynamics simulations to elucidate structure-property relationships and AIE mechanisms.
- * Formulation of OTTITQ nanoparticles for in vitro and in vivo evaluations.
Main Results:
- * Successfully synthesized three NIR-II emitting AIE molecules.
- * Identified OTTITQ as a promising candidate with long absorption/emission wavelengths, efficient type I reactive oxygen species generation, and high photothermal conversion efficiency.
- * Computational studies confirmed structure-activity relationships and AIE mechanisms.
- * OTTITQ nanoparticles demonstrated effective trimodal imaging (fluorescence-photoacoustic-photothermal) and synergistic photodynamic-photothermal therapy for bladder cancer.
Conclusions:
- * Novel NIR-II AIE molecules were successfully designed and synthesized.
- * OTTITQ exhibits excellent photophysical properties for multimodal imaging and synergistic phototherapy.
- * OTTITQ nanoparticles show great potential for advanced bladder cancer treatment through integrated imaging and therapy.
