Sentence examples for multiple protonation states from inspiring English sources
The development of pH switchable metal catalysts by choosing ligands with multiple protonation states would be a useful design principle.
Two aspartic acid residues are present in the BACE1 catalytic region which can adopt multiple protonation states depending on the chemical nature of its inhibitors, i.e., monoprotonated, diprotonated and di-deprotonated states.
The reaction scheme was based on multiple protonation states of the intermediate in CO2 reduction; the higher the protonation state, the higher was the tendency of the intermediate to form CO. A generalised reaction mechanism for other electrode materials was also proposed.
Together these observations suggest that multiple protonation states may have been present for the 1 : 1 and the 3 : 1 thioarsenite complexes.
The results of this study suggest that the solubility of amorphous or crystalline As2S3 in sulfidic waters is controlled by at least four thioarsenite species, each with multiple protonation states.
BKM-react properly deals with multiple protonation states, but does not attempt to merge different tautomeric and stereoisomeric forms, and does not attempt to further reconcile metabolites though reaction context.
The development of catalytically-competent cluster fragments in the absence of such elaborate protein scaffolds hence requires the design of modular ligand frameworks that can support the polynucleation of transition metals in multiple redox- and protonation states.
In these reactions, first the phosphate is attacked with a hydroxide and second the phosphate protonation states are enumerated, creating multiple high-energy intermediates for each molecule.
We report here the first systematic comparison of ABTS-binding to different proteins, i.e. the four isoforms of Trametes versicolor, using a combination of sequence clustering, density functional theory calculations, homology modeling, and multiple induced-fit docking protocols at variable pH-dependent protonation states and T1-copper oxidation state.
Protonation states of each compound were considered, protonating strong bases and deprotonating strong acids.
PROPKA 3.0 was used to determine the protonation states of ionizable residues of hDAT and resulted in Glu491 being protonated.
