Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment

Plinio Cantero-López, Osvaldo Yañez-Osses, Manuel Silvestre Páez-Meza, Johana E. López, Dayán Páez-Hernández, Ramiro Arratia-Pérez

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The molecular interactions that promote the stability of proteins and amino acids in saline solutions is a central topic of molecular biophysics. However, a well-supported molecular picture of the phenomena has not been established yet. In this paper, we studied as model system the mix between DL-Alanine in aqueous solutions of STP (Na2S2O3·5H2O) at different temperatures, from volumetric and viscometric properties. The thermophysical properties obtained indicate the presence of a strong preferential solvation, structure-making action and a possible salt in effect. Quantum chemical calculations and molecular dynamic (MD) simulations provide a new insight to support these arguments.

Original languageEnglish
Pages (from-to)73-84
Number of pages12
JournalChemical Physics Letters
Volume687
DOIs
Publication statusPublished - 1 Nov 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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