From molecular design to triple-action performance: deuterium engineering boosts NIR-II cancer phototheranostics (IMAGE)
Caption
This figure illustrates the molecular design and photophysical performance enhancements achieved through systematic deuterium engineering. (a) Chemical structures of TTBT and its deuterated derivatives TTBT-d10, TTBT-d20, and TTBT-d28. (b) Aggregation-induced emission (AIE) characterization. (c–d) Absorption and photoluminescence spectra. (e) Fluorescence quantum yields showing a 25.9% increase for TTBT-d28 over TTBT. (f) Reactive oxygen species (ROS) generation showing a 14.2% enhancement. (g–h) Photothermal performance and stability. (i) Plasma stability showing a 20.7% improvement for TTBT-d28. (j–k) HOMO and LUMO energy levels. (l–m) Optimized molecular structures and dihedral angles. (n–o) Calculated reorganization energies. Collectively, these data reveal a tripartite synergistic mechanism: suppression of molecular vibrations, denser molecular packing, and enhanced aggregate hydrophobicity, which collectively boost fluorescence brightness, ROS production, and blood stability.
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