A theoretical investigation and design of fluorescent probes with large two-photon absorption cross-sections and dual signaling behavior for mercury ions in biological system

作者：Zhang, Chun; Zou, Lu-Yi; Wang, Dan; Zhang, Li; Ren, Ai-Min^*

来源：Journal of Photochemistry and Photobiology A: Chemistry , 2017, 332: 440-452.

DOI：10.1016/j.jphotochem.2016.09.016

• Mercury-ion fluorescent probe
• Two-photon absorption cross-sections

In the present study, we have designed a series of novel two-photon mercury ion (Hg2+) fluorescent probes with large two-photon absorption cross-sections (delta(max)) based on intramolecular charge transfer (ICT), and carried out the quantum-chemical calculations on the electronic structural and two-photon absorption (TPA) properties of these probes. The calculated results reveal that the fluorescent peaks of the reaction products with Hg2+ display significant red-shifts compared with these corresponding Hg2+ probes, demonstrating that these two-photon Hg2+ probe molecules can be applied as excellent ratiometric fluorescent bio-imaging reagents. More importantly, some designed molecules possess large delta(max) values (1000-3100 GM) in the near-infrared region (650-1100 nm), which can be viewed as more promising candidates for detecting Hg2+ in the vivo biological system. Furthermore, we hope the investigations can provide a theoretical basis for developing novel two-photon fluorescent Hg2+ probes in the biological system.

• 出版日期2017-1-1
• 单位吉林大学