Ion-selective interactions of biologically relevant inorganic ions with alanine zwitterion: a 3D-RISM study

Amino Acids. 2015 May;47(5):1015-23. doi: 10.1007/s00726-015-1930-4. Epub 2015 Feb 8.

Abstract

The ion-molecular association between inorganic ions and the charged groups of alanine zwitterion in biologically relevant aqueous salt solutions, namely NaCl(aq), KCl(aq), MgCl2(aq), and CaCl2(aq), has been investigated over a wide range of electrolyte concentration. The influence of salt concentration on the stability of the formed ion-molecular associates is analyzed. The structure of the formed aggregates and its dependence on salt concentration and chemical nature of the inorganic ion are discussed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alanine / chemistry*
  • Calcium Chloride / chemistry*
  • Computer Simulation
  • Kinetics
  • Magnesium Chloride / chemistry*
  • Models, Chemical
  • Potassium Chloride / chemistry*
  • Sodium Chloride / chemistry*
  • Thermodynamics
  • Water / chemistry

Substances

  • Magnesium Chloride
  • Water
  • Sodium Chloride
  • Potassium Chloride
  • Calcium Chloride
  • Alanine