Modulation of confined water dynamics in ion channels by terahertz electric fields

Abstract

Water confined within nanoscale environments exhibits dynamic behaviors distinct from bulk water, with profound implications for nanodevice function. Biological ion channels, as natural nanopores, represent ideal systems for investigating such confined dynamics. The dynamical properties of water molecules in the pore regions of voltage-gated potassium and sodium channels were systematically compared, and their responses to terahertz electric fields were examined using molecular dynamics simulations. Spatial confinement and water–protein interactions markedly reduce water mobility and induce strong orientational polarization. Terahertz electric fields produce frequency-selective effects: application of a 16 THz field perpendicular to the membrane enhances water mobility, whereas a 24 THz field suppresses it, indicating selective excitation of water vibrational modes that may modulate channel function. The regulation of confined water is further shown to depend on both field strength and incident direction. These findings elucidate how terahertz fields modulate hydration dynamics, provide mechanistic insight into electric field–protein interactions, and offer guidance for the rational design of biomimetic nanofluidic systems and field-responsive biointerfaces.