Design and Photophysical Engineering of Functional Organic Luminogens for Precision Cancer Theranostics

Cancer remains a significant global health challenge, necessitating innovative therapeutic strategies. Functional organic luminogens have emerged as a versatile class of biomaterials for cancer theranostics, enabling the integration of diagnostic imaging and therapeutic intervention within a single molecular or supramolecular platform. In this perspective, recent advances in the rational design of these luminogens as next-generation cancer theranostics were discussed. Particular emphasis is placed on emerging organic luminogen systems, including aggregation-induced emission (AIE) small molecules, thermally activated delayed fluorescence (TADF)-based probes, polymer-based nanostructures, organic co-crystals, and charge-transfer (CT) assemblies, with an emphasis on their structure-property-function relationships. Unlike conventional nanoparticle systems, small-molecule luminogens have defined structures, improved biocompatibility, and faster clearance rates, enabling deeper tumor penetration and reduced long-term toxicity. Key molecular design strategies that regulate excited-state dynamics, aggregation behavior, charge transfer, and microenvironment responsiveness are discussed in the context of near-infrared (NIR) and NIR-II imaging, photodynamic and photothermal therapy, and synergistic multimodal treatments. Finally, challenges related to specificity, biosafety, and translational implementation are outlined, while emerging opportunities like data driven molecular discovery and artificial intelligence-assisted discovery are highlighted as future directions for the development of organic luminogens-based biomaterials in precision cancer theranostics.