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

Fingerprint

Biophysics
biophysics
Molecular interactions
Solvation
thermophysical properties
alanine
molecular interactions
Sodium Chloride
Alanine
solvation
amino acids
Molecular dynamics
Thermodynamic properties
Salts
molecular dynamics
aqueous solutions
salts
proteins
Amino Acids
acids

ASJC Scopus subject areas

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

Cite this

Cantero-López, Plinio ; Yañez-Osses, Osvaldo ; Páez-Meza, Manuel Silvestre ; López, Johana E. ; Páez-Hernández, Dayán ; Arratia-Pérez, Ramiro. / Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment. In: Chemical Physics Letters. 2017 ; Vol. 687. pp. 73-84.
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Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment. / Cantero-López, Plinio; Yañez-Osses, Osvaldo; Páez-Meza, Manuel Silvestre; López, Johana E.; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro.

In: Chemical Physics Letters, Vol. 687, 01.11.2017, p. 73-84.

Research output: Contribution to journalArticle

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