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As biological interactions take place at the nanoscale, nanotechnology opens up numerous opportunities to empower the medicine field. Versatile nanoparticles, such as plasmonic materials, quantum dots, and lipid micelles, have been engineered and applied to improve the efficacy of the diagnosis and treatment of diseases. Administered nanoparticles can aid in imaging the body area of interest with a high resolution and in probing biomarkers, cells, and tissues. In the case of disease treatment, nanoparticles can serve as vehicles for drugs or implants and accurately deliver them to the designated sites, which otherwise can’t be accomplished due to the biological barriers on the route. This themed Collection showcases the latest joint efforts from materials and biomedical communities. It spans from fundamental research centering on the design of novel nanoparticles with desirable therapy/diagnosis-related properties (e.g., contrast efficacy, pharmacokinetics) and high in vivo stability to the proof-of-concept testing of as-designed nanoparticles in imaging, diagnostics, and drug delivery.