A fluorescent, diselenide‐containing 9,10‐distyrylanthracene (DSA) derivative (SeDSA) with aggregation‐induced emission (AIE) characteristic was successfully synthesized and SeDSA nanoparticles (NPs) were prepared through a nanoprecipitation method. SeDSA could coassemble with an antitumor prodrug, diselenide‐containing paclitaxel (SePTX), which could be obtained by precipitation, to form SeDSA‐SePTX Co‐NPs (Co‐NPs). Molecular dynamics (MD) simulations reveal that the driving forces for the self‐assembly behaviors of SeDSA NPs and SePTX NPs are π–π interactions and hydrophobic interactions, respectively, while the driving forces for Co‐NPs include hydrophobic interactions between SeDSA and SePTX, π–π interactions between SeDSA molecules and hydrophobic interactions between SePTX molecules. Meanwhile, Se‐Se bonds play a crucial role in balancing the intramolecular forces. These diselenide‐containing nanoparticles (SeDSA NPs, SePTX NPs and Co‐NPs) exhibit a high stability under physiological conditions and excellent reduction‐sensitivity in the presence of the redox agent glutathione (GSH) because of the selenium‐sulfur exchange reaction between diselenide and GSH. Both SeDSA NPs and Co‐NPs show strong orange fluorescence emissions on the account of the AIE feature of SeDSA and they were easily internalized by HeLa and HepG2 cells. Distinctively, the Co‐NPs combine the advantage of SeDSA and SePTX for cell imaging and antineoplastic activity, and exhibit selectivity of cytotoxicities between neoplasia cells and normal cells. This study highlights the development of diselenide‐containing AIEgens as a unique approach to prepare uniform and stable fluorescent nanoparticles for the application in cell imaging and tumor treatment.

中文翻译：

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基于含二硒化物的AIEgens的氧化还原响应性荧光纳米粒子，用于细胞成像和选择性癌症治疗

成功合成了具有聚集诱导发射（AIE）特征的含二硒化物的荧光9,10-二氰基蒽（DSA）衍生物（SeDSA），并通过纳米沉淀法制备了SeDSA纳米颗粒（NPs）。SeDSA可以与抗肿瘤前药，含二硒化物的紫杉醇（SePTX）共组装，可以通过沉淀获得，形成SeDSA-SePTX Co-NP（Co-NP）。分子动力学（MD）模拟表明，SeDSA NP和SePTX NPs自组装行为的驱动力分别是π-π相互作用和疏水相互作用，而Co-NPs的驱动力包括SeDSA和SePTX之间的疏水相互作用， SeDSA分子之间的π–π相互作用和SePTX分子之间的疏水性相互作用。同时，硒硒键在平衡分子内力方面起着至关重要的作用。这些含二硒化物的纳米粒子（SeDSA NP，SePTX NP和Co-NP）在生理条件下表现出高稳定性，并且在氧化还原剂谷胱甘肽（GSH）存在下表现出优异的还原敏感性，因为二硒化物与GSH。由于SeDSA的AIE特性，SeDSA NP和Co-NP均显示出强烈的橙色荧光发射，并且很容易被HeLa和HepG2细胞内化。独特的是，Co-NP结合了SeDSA和SePTX在细胞成像和抗肿瘤活性方面的优势，并在瘤细胞和正常细胞之间表现出细胞毒性的选择性。