A formula for correlating pKa values determined in D2O and H2O

J Inorg Biochem. 2004 Jan;98(1):161-6. doi: 10.1016/j.jinorgbio.2003.10.001.

Abstract

A linear correlation between pH-meter readings in equivalent D2O and H2O solutions, determined experimentally, leads to a novel equation, which allows for a direct recalculation of pKa values measured in D2O into a H2O equivalent: pKH=0.929pKH*+0.42. The comparison of this equation with the previously used approach is discussed.

Publication types

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

MeSH terms

  • Deuterium / chemistry*
  • Deuterium Exchange Measurement
  • Glutathione / chemistry
  • Histidine / chemistry
  • Hydrogen-Ion Concentration
  • Magnetic Resonance Spectroscopy
  • Oligopeptides / chemistry
  • Phosphines / chemistry
  • Potentiometry / methods
  • Potentiometry / standards
  • Reproducibility of Results
  • Spectrometry, Mass, Electrospray Ionization
  • Water / chemistry*

Substances

  • Oligopeptides
  • Phosphines
  • Water
  • tris(2-carboxyethyl)phosphine
  • Histidine
  • Deuterium
  • Glutathione