ScholarWorks@중앙대학교

초록

The development of multifunctional fluorophores for simultaneous imaging and therapy has emerged as an important research topic in precision medicine. Nitrobenzoselenadiazole (NBSD), a selenium (Se)-containing dipolar fluorophore with a strong intramolecular charge transfer (ICT), enables both fluorescence imaging and reactive oxygen species (ROS)-mediated photodynamic therapy (PDT). In this study, we introduce a structural optimization strategy to develop NBSD-based derivatives with enhanced optical performance and therapeutic efficacy. Three derivatives, NBSD-Me, NBSD-Cy, and NBSD-Cy-OH, were systematically designed by modifying the electron-donor site to regulate ICT and improve water solubility. Among these, NBSD-Cy-OH exhibited superior fluorescence intensity, photostability in aqueous media, water solubility, and ROS generation under light irradiation. Theoretical calculations further corroborated that NBSD-Cy-OH exhibits the highest intersystem crossing (ISC) rate, supporting its improved PDT efficacy. These findings establish the structural remedy approach as a powerful design principle for developing next-generation theranostic fluorophores.

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