Figure 1.
Molecular structure of studied flavonoids.
Table 1.
Values of total reaction rate constant, kT, and reactive reaction rate constant, kr, for reaction between singlet oxygen and several flavonoids.
Figure 2.
Singlet oxygen decays in the absence and the presence of morin.
Rose Bengal as sensitizer, D2O as solvent. Inset: Stern-Volmer plot according to equation (1).
Figure 3.
Evolution el absorption spectra of quercetin upon irradiation with visible light >500 nm in ethanol with Rose Bengal as sensitizer.
Table 2.
Global properties related with chemical potential obtained for optimized flavonoid structure.
Table 3.
Fukui indexes of flavonoids molecules.
Figure 4.
Dependence of kT for reaction of singlet oxygen with flavonoids with HOMO energy and chemical potential.
Figure 5.
Optimized structures of morin a) obtained with DFT-6311g+d,p; b) obtained with DFT-6311g+d,p, fixing an hydrogen bond.