INVESTIGADORES
FERNANDEZ Ariel
artículos
Título:
Dielectric response of frustrated water down to a single-molecule contribution
Autor/es:
FERNÁNDEZ, ARIEL
Revista:
ANNALEN DER PHYSIK
Editorial:
WILEY-V C H VERLAG GMBH
Referencias:
Año: 2017 vol. 529 p. 1600373 - 1600373
ISSN:
0003-3804
Resumen:
A theory of dielectric response of water under nanoscale confinement was long overdue. This work addresses the problem by establishing a relation between dielectric response and hydrogen-bond frustration subsumed in a non-Debye polarization term. The results hold down to the single-molecule contribution and are validated vis-à-vis experimental measurements on a system where dielectric modulation entails removal of a single water molecule. The frustrated dielectric response down to molecular scales is assessed by contrasting two enantiomeric ligands in association with the same protein, with the complexes differing in the removal of a single interfacial water molecule.