Hydrogen bonds and asymmetrical heat diffusion in α-helices. A computational analysis

German A. Miño-Galaz, Gonzalo Gutierrez

Resultado de la investigación: Article

9 Citas (Scopus)

Resumen

In this work, we report the heat rectifying capability of α-helices. Using molecular dynamics simulations we show an increased thermal diffusivity in the C-Terminal to N-Terminal direction of propagation. The origin of this effect seems to be a function of the particular orientation of the hydrogen bonds stabilizing these α-helices. Our results may be relevant for the design of thermal rectification devices for materials science and lend support to the role of normal length hydrogen bonds in the asymmetrical energy flow in proteins.

Idioma originalEnglish
Páginas (desde-hasta)16-22
Número de páginas7
PublicaciónChemical Physics Letters
Volumen635
DOI
EstadoPublished - 2 jul 2015
Publicado de forma externa

Huella dactilar

helices
Hydrogen bonds
hydrogen bonds
heat
Thermal diffusivity
rectification
Materials science
thermal diffusivity
materials science
Molecular dynamics
molecular dynamics
proteins
propagation
Computer simulation
Proteins
simulation
Hot Temperature
energy
Direction compound

ASJC Scopus subject areas

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

Citar esto

Miño-Galaz, German A. ; Gutierrez, Gonzalo. / Hydrogen bonds and asymmetrical heat diffusion in α-helices. A computational analysis. En: Chemical Physics Letters. 2015 ; Vol. 635. pp. 16-22.
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Hydrogen bonds and asymmetrical heat diffusion in α-helices. A computational analysis. / Miño-Galaz, German A.; Gutierrez, Gonzalo.

En: Chemical Physics Letters, Vol. 635, 02.07.2015, p. 16-22.

Resultado de la investigación: Article

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