Electric Literature of 52328-05-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 52328-05-9, Name is O-Methylisourea hemisulfate, SMILES is N=C(N)OC.N=C(N)OC.O=S(O)(O)=O, belongs to amides-buliding-blocks compound. In a article, author is Dancs, Agnes, introduce new discover of the category.
Proton transfer in water involving C-H bonds is a challenge and nitro compounds have been studied for many years as good examples. The effect of substituents on acidity of protons geminal to the nitro group is exploited here with new pKa measurements and electronic structure models, the latter including explicit water environment. Substituents with the amide moiety display an exceptional combination of acidity and solubility in water. In order to find a rationale for the unexpected pKa changes in the (ZZ)NCO- substituents, we measured and modeled the pKa with Z=Z=H and Z=Z=methyl. The dominant contribution to the observed pKa can be understood with advanced computational experiments, where the geminal proton is smoothly moved to the solvent bath. These models, mostly based on density-functional theory (DFT), include the explicit solvent (water) and statistical thermal fluctuations. As a first approximation, the change of pKa can be correlated with the average energy difference between the two tautomeric forms (aci and nitro, respectively). The contribution of the solvent molecules interacting with the solute to the proton transfer mechanism is made evident.
Electric Literature of 52328-05-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 52328-05-9 is helpful to your research.
Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics