BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on 1O2 photosensitization
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3727-3
Abstract: AbstractDensity functional theory and its time-dependent extension (DFT, TDDFT) were employed to establish the feasibility of using a series of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (BODIPYs) in photodynamic therapy. Their absorption electronic spectra, singlet–triplet energy gaps, and spin–orbit matrix… read more here.
Keywords: therapy; bromine substitution; photodynamic therapy; singlet ... See more keywords