Artículo
Nanoscale electrostatic theory of epistructural fields at the water-protein interface
Fecha de publicación:
12/2012
Editorial:
American Institute of Physics
Revista:
Journal of Chemical Physics
ISSN:
0021-9606
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.
Palabras clave:
Nanotechnology
,
Molecular Biophysics
,
Nanodielectrics
,
Dehydron
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Articulos(IAM)
Articulos de INST.ARG.DE MATEMATICAS "ALBERTO CALDERON"
Articulos de INST.ARG.DE MATEMATICAS "ALBERTO CALDERON"
Citación
Fernandez, Ariel; Nanoscale electrostatic theory of epistructural fields at the water-protein interface; American Institute of Physics; Journal of Chemical Physics; 137; 23; 12-2012; 231101-231101
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