Photovoltaic Molecule‐Based Phototheranostics With A‐D‐A Structure for Near‐Infrared Fluorescence Imaging‐Guided Synergetic Photodynamic and Photothermal Therapy of Tumors

Phototheranostics with near-infrared fluorescence and reactive oxygen species generation ability and high photothermal conversion efficiency (PCE) plays a significant role in fluorescence imaging-guided synergetic photodynamic and photothermal therapy of tumors. Here, a star molecule in organic photovoltaic materials, NCBDT-4C with an A-D-A conjugated structure, was assembled with DSPE-PEG-NH₂ to prepare water dispersive nanoparticles (NPs). The prepared NCBDT-4Cl NPs exhibited a maximum NIR absorption peak at 764 nm and a maximum fluorescence peak at 798 nm. These NPs could generate superoxide anion, singlet oxygen (¹O₂), and heat under 808 nm laser irradiation. The ¹O₂ generation quantum yield and PCE of the NPs were 37.5% and 53.6%, respectively. The combination of photodynamic and photothermal therapy of cancer was demonstrated in vitro and in vivo. This work presents the advanced application of organic photovoltaic materials in cancer phototherapy.