Salting-in with a salting-out agent : explaining the cation specific effects on the aqueous solubility of amino acids

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Tome, Luciana I. N. and Pinho, Simão P and Jorge, Miguel and Gomes, Jose R. B. and Coutinho, Joao A. P. (2013) Salting-in with a salting-out agent : explaining the cation specific effects on the aqueous solubility of amino acids. Journal of Physical Chemistry B, 117 (20). pp. 6116-6128. ISSN 1520-6106 (https://doi.org/10.1021/jp4021307)

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Abstract

Although the understanding of ion specific effects on the aqueous solubilities of biomolecules is crucial for the development of many areas of biochemistry and life sciences, a consensual and well-supported molecular picture of the phenomena has not yet been established. Mostly, the influence of cations and the nature of the molecular interactions responsible for the reversal of the Hofmeister trend in aqueous solutions of amino acids and proteins are still defectively understood. Aiming at contributing to the understanding of the molecular-level mechanisms governing the cation specific effects on the aqueous solubilities of biocompounds, experimental solubility measurements and classical molecular dynamics simulations were performed for aqueous solutions of three amino acids (alanine, valine, and isoleucine), in the presence of a series of inorganic salts. The evidence gathered suggests that the mechanism by which salting-in inducing cations operate in aqueous solutions of amino acids is different from that of anions, and allows for a novel and consistent molecular description of the effect of the cation on the solubility based on specific interactions of the cations with the negatively charged moieties of the biomolecules.

ORCID iDs

Tome, Luciana I. N., Pinho, Simão P, Jorge, Miguel ORCID logoORCID: https://orcid.org/0000-0003-3009-4725, Gomes, Jose R. B. and Coutinho, Joao A. P.;
  • Item type:Article
    ID code:47685
    Dates:
    Date
    Event
    23 May 2013
    Published
    Notes:This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in The Journal of Physical Chemistry, copyright © American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/jp4021307.
    Subjects:Science > Chemistry
    Department:Faculty of Engineering > Chemical and Process Engineering
    Depositing user: Pure Administrator
    Date deposited:30 Apr 2014 10:53
    Last modified:13 Dec 2024 01:13
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/47685
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