Dioxepine-Peri-Annulated PMIs-Synthesis and Spectral and Sensing Properties.

Yulian Zagraniarsky Diana Valentinova CheshmedzhievaMonika MutovskaAnife Ahmedova Stanimir S Stoyanov

Published in: Sensors (Basel, Switzerland) (2023)

New perylene monoimide (PMI) derivatives bearing a seven-membered heterocycle and 1,8-diaminosarcophagine (DiAmSar) or N,N-dimethylaminoethyl chelator fragments were synthesized, and their spectroscopic properties in the absence and presence of metal cations were determined to evaluate their potential applications as PET optical sensors for such analytes. DFT and TDDFT calculations were employed to rationalize the observed effects.

Keyphrases

density functional theory
molecular docking
molecular dynamics simulations
optical coherence tomography
computed tomography
high resolution
molecular dynamics
pet ct
risk assessment
magnetic resonance imaging