Jiang Tengfei, Luan Ni, Wang Longping, Leng Jiancai, Zhang Yujin
International School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
J Fluoresc. 2023 Sep;33(5):1949-1959. doi: 10.1007/s10895-023-03209-z. Epub 2023 Mar 17.
The development of fluorescent probe for hydrazine (NH) detection has attracted much attention due to the important role of NH plays in the fields of medicine, agriculture, biology and environments. In this paper, the optical properties and water solubility of two novel two-photon fluorescent molecular probes (Probe1 and Probe2) before and after the reaction with NH are studied by using the density function theory. The results show that electronic distribution and transition dipole moment of the probes are obviously changed after the reaction with NH, thus the optical properties of the molecules are influenced and the detection of NH are realized. In addition, photoinduced electron transfer processes for Probe1 and Probe2 in the presence of NH are theoretically characterized, which explains the experimental observations from the microscopic mechanism. Special attention has been paid on the analysis of the two-photon absorption for the probes with the absence and presence of NH by the response theory method. Both probes with good water solubility show large variation on the two-photon absorption cross section when reacts with NH. In particular, the two-photon absorption response of Probe2 is more obvious, so it possesses preferable two-photon fluorescence microscopic imaging ability. More importantly, the receptor effect on the sensing performances of the probes are demonstrated, providing a theoretical reference for the design and synthesis on more efficient two-photon fluorescence NH probes. Our study provides necessary information on the response mechanism of the studied chemosensors and helps to establish the relationship between the structure and optical properties of two-photon fluorescence NH probes.
由于肼（NH）在医学、农业、生物学和环境等领域发挥着重要作用，用于检测肼的荧光探针的开发备受关注。本文采用密度泛函理论研究了两种新型双光子荧光分子探针（探针1和探针2）与NH反应前后的光学性质和水溶性。结果表明，探针与NH反应后，其电子分布和跃迁偶极矩发生明显变化，从而影响了分子的光学性质，实现了对NH的检测。此外，从理论上表征了探针1和探针2在有NH存在时的光致电子转移过程，从微观机理上解释了实验现象。特别关注了用响应理论方法分析有无NH时探针的双光子吸收情况。两种水溶性良好的探针与NH反应时，双光子吸收截面均有较大变化。特别是，探针2的双光子吸收响应更明显，因此具有较好的双光子荧光显微成像能力。更重要的是，证明了受体对探针传感性能的影响，为设计和合成更高效的双光子荧光NH探针提供了理论参考。我们的研究提供了有关所研究化学传感器响应机制的必要信息，并有助于建立双光子荧光NH探针的结构与光学性质之间的关系。
