title: The complete microspeciation of arginine and citrulline.
abstract: (1)H NMR-pH titrations of arginine, the most basic natural amino acid and citrulline, its neutral counterpart were carried out. Two other closely related auxiliary compounds were also studied. The 8 macroscopic protonation constants were determined. Combining the four datasets in a deductive method, all the 12 microconstants of arginine, the 4 microconstants of citrulline and arginine amide were calculated. An error-propagation analysis and the pH-dependent distribution of the 8 arginine microspecies are provided.
authors.affiliation: Department of Pharmaceutical Chemistry, Semmelweis University, Research Group of Drugs of Abuse and Doping Agents, Hungarian Academy of Sciences, Budapest H-1092, Hőgyes Endre utca 9, Hungary.
authors.forename: Gábor
authors.initials: G
authors.lastname: Orgován
authors.forename: Béla
authors.initials: B
authors.lastname: Noszál
mesh_terms: D001120:Arginine / Q000032:analysis* / Q000737:chemistry; D002626:Chemistry, Pharmaceutical; D002956:Citrulline / Q000032:analysis* / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D007526:Isoelectric Point; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D015394:Molecular Structure; D011199:Potentiometry; D011522:Protons
chemical_list: D011522:Protons; D002956:Citrulline; D001120:Arginine