Sentence examples for case of a protonation from inspiring English sources

The particular case of a protonation reaction is studied.

If more than one mode is found to yield an optimal score for one node, the mode that is equivalent to that in the PDB-file is chosen in case of protonation states, tautomers and side-chain flips.

Numerical simulations are presented, for the case of a CaCO3 electrolyte solution in contact with a surface with rate-controlled protonation/deprotonation reactions.

35 In the case of a substrate bearing a nitro functionality as the EWG the reaction is facilitated by hydrogen bonds, similarly to other EWGs, but hydride transfer and protonation are not necessarily concerted.

In the case of equilibria involving simple protonation of complex anions, MO x (OH) y n-, stequilibriumlibrium constants are expressed in the form.

In the literature it has been discussed whether the acid catalysis takes place by protonation of the triazine ring, if it is a protonation of the methylol side groups or if both types of protonation are active.

The downfield shifts of the A amino protons suggested protonation of dA.

(a) Protonation of hydroxyl group of propargylic alcohol.

Thus, in the case of NhaA, at least two protonation events have to be considered, which are likely to both affect transport activity, perhaps in different ways.

In case of flexible side chains and different possible protonation states a compromise between a consistent layout and flexibility in order to avoid collisions is necessary.

In the case that the protonation prevents the formation of only one of two interfaces (Fig. 2D, scenario 3), both deprotonated and protonated CtxB monomers are able to associate.