南京工业大学柔性电子重点实验室暨柔性电子（未来技术）学院董晓臣课题组报道了促进NIR-II光热治疗中二氟化硼&甲酸乙酯树状大分子的非辐射衰变。相关论文于2025年3月12日发表在《德国应用化学》杂志上。

在此，研究小组采用树状聚合物工程策略开发了用于光成像介导的NIR-II光热治疗的二氟化硼甲酸乙酯（BDF）染料BDF- 8OMe。BDF-8OMe具有较高的分子分支度和较宽的π共轭性，吸收峰位于905nm处，吸收尾延伸至1300nm。此外，重组能计算、分子动力学模拟和飞秒瞬态吸收光谱表明，BDF-8OMe的多个相同枝晶单元显著增强了分子运动，使纳米粒子（NPs）能够以11.7ps的非辐射衰变速度快速释放94.4%的激发态能量。在1064nm光照射下，BDF-8OMe NPs光热转换效率高达62.5%，有利于NIR-II光热治疗。这项工作强调了树状分子构建策略在开发NIR-II可激发小分子染料用于高效光热治疗中的潜力。

据介绍，在第二近红外窗口（NIR-II, 1000~1700nm）中可激发的小分子染料的开发对肿瘤光热治疗中深层组织渗透和最大允许暴露至关重要。

附：英文原文

Title: Boosting Non-Radiative Decay of Boron Difluoride Formazanate Dendrimers for NIR-II Photothermal Theranostics

Author: Hanming Dai, Jingyi Pan, Jinjun Shao, Kang Xu, Xiaohong Ruan, Anqing Mei, Peng Chen, Lulu Qu, Xiaochen Dong

Issue&Volume: 2025-03-12

Abstract: The development of small molecular dyes excitable in the second near-infrared window (NIR-II, 1000~1700 nm) is crucial for deep-tissue penetration and maximum permissible exposure in cancer photothermal theranostics. Herein, we employed a dendrimer engineering strategy to develop the boron difluoride formazanate (BDF) dye BDF-8OMe for photoacoustic imaging-mediated NIR-II photothermal therapy. BDF-8OMe, characterized by an increased molecular branching degree and extended π-conjugation, exhibited broad absorbance peaked at 905 nm, with the absorption tail extending to 1300 nm. Additionally, reorganization energy calculation, molecular dynamics simulation, and femtosecond transient absorption spectroscopy demonstrated that the multiple identical dendritic units of BDF-8OMe significantly enhanced the molecular motions, enabling the nanoparticles (NPs) to rapidly release 94.4% of the excited state energy through non-radiative decay at a rate of 11.7 ps. Under 1064 nm photoirradiation, BDF-8OMe NPs achieved a high photothermal conversion efficiency of 62.5%, facilitating NIR-II photothermal theranostics. This work highlights the potential of the dendrimer-building strategy in developing NIR-II excitable small molecular dyes for efficient photothermal theranostics.

DOI: 10.1002/anie.202503718

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202503718