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

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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.

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Acknowledgments

This work was supported by funds from the Seventh Framework Program of the European Union (FP7-PEOPLE-2009-IRSES, Marie Curie Project) under grant agreement No. 247500 and by the Russian Foundation for Basic Research (Grant No. 12-03-97508–r_centre_a).

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The authors declare that they have no conflict of interest.

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Authors and Affiliations

  1. G.A. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Akademicheskaya St. 1, 153045, Ivanovo, Russia

    Marina V. Fedotova & Olga A. Dmitrieva

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  1. Marina V. Fedotova
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  2. Olga A. Dmitrieva
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Correspondence to Marina V. Fedotova.

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Handling Editor: D. Tsikas.

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Fedotova, M.V., Dmitrieva, O.A. Ion-selective interactions of biologically relevant inorganic ions with alanine zwitterion: a 3D-RISM study. Amino Acids 47, 1015–1023 (2015). https://doi.org/10.1007/s00726-015-1930-4

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  • DOI: https://doi.org/10.1007/s00726-015-1930-4

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