title: Determination of microscopic acid-base parameters from NMR-pH titrations.
abstract: The theory and practice of proton microspeciation based on NMR-pH titrations are surveyed. Principles of bi-, tri-, tetra-, and n-protic microequilibrium systems are discussed. Evaluation methods are exemplified by case studies on bi- and tetraprotic biomolecules. Selection criteria and properties of 'reporter' NMR nuclei are described. Literature data on complete microspeciations of small ligands and site-specific basicity characterizations of peptides and proteins are critically reviewed.
authors.affiliation: Department of Inorganic and Analytical Chemistry, Loránd Eötvös University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary.
authors.forename: Zoltán
authors.initials: Z
authors.lastname: Szakács
authors.forename: Márta
authors.initials: M
authors.lastname: Kraszni
authors.forename: Béla
authors.initials: B
authors.lastname: Noszál
mesh_terms: D000136:Acid-Base Equilibrium; D006863:Hydrogen-Ion Concentration; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D010455:Peptides / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D011522:Protons
chemical_list: D008024:Ligands; D010455:Peptides; D011506:Proteins; D011522:Protons