Exploration of single molecular species synchronously featured by long excitation/emission wavelength, accurate diagnosis, and effective therapy, remains supremely appealing to implement high-performance cancer phototheranostics. However, those previously established phototheranostic agents are undiversified and stereotyped in terms of structural skeleton, and generally exhibit insufficient phototheranostic outcomes. Herein, we innovatively utilized indanone-condensed thiadiazolo[3,4-g]quinoxaline (ITQ) as electron acceptor to construct novel photosensitizer with second near-infrared (NIR-II) emission. Experimental study and theoretical calculation demonstrated that comparing with the counterparts constituting by widely employed NIR-II building block benzobisthiadiazole (BBTD) and 6,7-diphenylthiadiazoloquinoxaline (DPTQ), ITQ-based photosensitizer (TITQ) showed superior aggregation-induced emission (AIE) characteristics, much stronger type-I reactive oxygen species (ROS) production, and prominent photothermal conversion capacity. Furthermore, TITQ nanoparticles with excellent biocompatibility were capable of effectively accumulating in the tumor site and visualizing tumor through fluorescence-photoacoustic-photothermal trimodal imaging with highly spatiotemporal resolution, and completely eliminating tumor by type-I photodynamic-photothermal therapy.

探索具有长激发/发射波长、准确诊断和有效治疗的同步特征的单分子物种，对于实施高性能癌症光治疗仍然具有极大的吸引力。然而，那些先前建立的光治疗剂在结构骨架方面单一且刻板，并且通常表现出不足的光治疗结果。在此，我们创新性地利用茚满酮缩合噻二唑并[3,4-g]喹喔啉（ITQ）作为电子受体，构建了具有第二近红外（NIR-II）发射的新型光敏剂。实验研究和理论计算表明，与广泛使用的NIR-II结构单元苯并双噻二唑（BBTD）和6,7-二苯基噻二唑喹喔啉（DPTQ）组成的对应物相比，基于ITQ的光敏剂（TITQ）表现出优异的聚集诱导发射（AIE）具有更强的I型活性氧（ROS）产生能力和突出的光热转换能力。此外，具有优异生物相容性的TITQ纳米粒子能够有效地聚集在肿瘤部位，并通过具有高时空分辨率的荧光-光声-光热三模态成像来可视化肿瘤，并通过I型光动力-光热疗法彻底消除肿瘤。