Determination of microscopic acid-base parameters from NMR-pH titrations

Anal Bioanal Chem. 2004 Mar;378(6):1428-48. doi: 10.1007/s00216-003-2390-3.

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.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Acid-Base Equilibrium*
  • Hydrogen-Ion Concentration
  • Ligands
  • Magnetic Resonance Spectroscopy / methods*
  • Molecular Structure
  • Peptides / chemistry
  • Proteins / chemistry
  • Protons*

Substances

  • Ligands
  • Peptides
  • Proteins
  • Protons