Two Key Descriptors for Designing Second Near-Infrared Dyes and Experimental Validation

Yi Zeng,Jiamin Qu,Guanghao Wu, Yeyun Zhao, Jiaman Hao,Yuping Dong, Zesheng Li,Jianbing Shi, Joseph S. Francisco,Xiaoyan Zheng

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY(2024)

引用 0|浏览2
暂无评分
摘要
Second near-infrared (NIR-II) optical imaging technology has emerged as a powerful tool for diagnostic and image-guided surgery due to its higher imaging contrast. However, a general strategy for efficiently designing NIR-II organic molecules is still lacking, because NIR-II dyes are usually difficult to synthesize, which has impeded the rapid development of NIR-II bioprobes. Herein, based on the theoretical calculations on 62 multiaryl-pyrrole (MAP) systems with spectra ranging from the visible to the NIR-II region, a continuous red shift of the spectra toward the NIR-II region could be achieved by adjusting the type and site of substituents on the MAPs. Two descriptors (Delta E-gs and mu(gs)) were identified as exhibiting strong correlations with the maximum absorption/emission wavelengths, and the descriptors could be used to predict the emission spectrum in the NIR-II region only if Delta E-gs <= 2.5 eV and mu(gs) <= 22.55 D. The experimental absorption and emission spectra of ten MAPs fully confirmed the theoretical predictions, and biological imaging in vivo of newly designed MAP23-BBT showed high spatial resolution in the NIR-II region in deep tissue angiography. More importantly, both descriptors of Delta E-gs and mu(gs) have shown general applicability to most of the reported donor-acceptor-donor-type non-MAP NIR-II dyes. These results have broad implications for the efficient design of NIR-II dyes.
更多
查看译文
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要