title: Ion-selective interactions of biologically relevant inorganic ions with alanine zwitterion: a 3D-RISM study.
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.
authors: G.A. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Akademicheskaya St. 1, 153045, Ivanovo, Russia, hebrus@mail.ru.
authors: Marina V
authors: MV
authors: Fedotova
authors: Olga A
authors: OA
authors: Dmitrieva
mesh_terms: D000409:Alanine / Q000737:chemistry*; D002122:Calcium Chloride / Q000737:chemistry*; D003198:Computer Simulation; D007700:Kinetics; D015636:Magnesium Chloride / Q000737:chemistry*; D008956:Models, Chemical; D011189:Potassium Chloride / Q000737:chemistry*; D012965:Sodium Chloride / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D015636:Magnesium Chloride; D014867:Water; D012965:Sodium Chloride; D011189:Potassium Chloride; D002122:Calcium Chloride; D000409:Alanine