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

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

1 Cita (Scopus)

Resumen

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.

Idioma originalInglés
Páginas (desde-hasta)73-84
Número de páginas12
PublicaciónChemical Physics Letters
Volumen687
DOI
EstadoPublicada - 1 nov 2017

Áreas temáticas de ASJC Scopus

  • Física y astronomía (todo)
  • Química física y teórica

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