4.4 Article

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

Journal

AMINO ACIDS
Volume 47, Issue 5, Pages 1015-1023

Publisher

SPRINGER WIEN
DOI: 10.1007/s00726-015-1930-4

Keywords

Amino acid; Aqueous electrolyte solution; Ion-binding; 3D-RISM integral equation method

Funding

  1. Seventh Framework Program of the European Union (FP7-PEOPLE-2009-IRSES, Marie Curie Project) [247500]
  2. Russian Foundation for Basic Research [12-03-97508-r_centre_a]

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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.

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