Theoretical Investigations on the Sensing Mechanism of Phenanthroimidazole Fluorescent Probes for the Detection of Selenocysteine.

ABSTRACT: The level of selenocysteine (Sec) in the human body is closely related to a variety of pathophysiological states, so it is important to study its fluorescence sensing mechanism for designing efficient fluorescent probes. Herein, we used time-dependent density functional theory to investigate the fluorescence sensing mechanism of phenanthroimidazole derivates A4 and B4 for the detection of Sec, which are proposed to be designed based on excited state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) mechanisms. The calculation results show that the fluorescence quenching mechanism of A4 and B4 is due to the photo-induced electron transfer (PET) process with the sulfonate group acts as the electron acceptor. Subsequently, A4 and B4 react with Sec, the sulfonate

SUBMITTER: Tang Z 

PROVIDER: S-EPMC9735982 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature