Fig. 2: Density functional theory calculations and characterization of the catalytic properties of Ru(II)-OH. | Nature Communications

Fig. 2: Density functional theory calculations and characterization of the catalytic properties of Ru(II)-OH.

From: Tumor-targeted glutathione oxidation catalysis with ruthenium nanoreactors against hypoxic osteosarcoma

Fig. 2

a Proposed catalytic cycle of the transformation of GSH into glutathione disulfide (GSSG) using the ruthenium (Ru) catalyst Ru(II)-OH. b Energy profile diagram of the respective energetic states in the catalytic transformation. The presence of GSH, GSSG, and hydrogen atoms were considered in the calculation of the energetic states but in this schematic representation omitted for clarity. c 1H-NMR spectra of GSH (50 mM) in the presence of Ru(II)-OH (2 mM) directly after preparation (blue) and after incubation for 12 h (red). d Ultra performance liquid chromatograms (UPLC) of the conversion of GSH (2 mM) to GSSG in the presence of Ru(II)-OH (50 μM). e Conversion of various concentrations of GSH to GSSG in the presence of Ru(II)-OH in dependence of the reaction time. f Correlation of reaction rate in dependence of the GSH concentration of the conversion of GSH to GSSG in the presence of Ru(II)-OH.

Back to article page