Dielectric dispersion characteristics of the phospholipid bilayer with subnanometer resolution from terahertz to mid-infrared

There is growing interest in whether the myelinated nerve fiber acts as a dielectric waveguide to propagate terahertz to mid-infrared electromagnetic waves, which are presumed stable signal carrier for neurotransmission. The myelin sheath is formed as a multilamellar biomembrane structure, hence insights into the dielectric properties of the phospholipid bilayer is essential for a complete understanding of the myelinated fiber functioning. In this work, by means of atomistic molecular dynamics simulations of the dimyristoylphosphatidylcholine (DMPC) bilayer in water and numerical calculations of carefully layered molecules along with calibration of optical dielectric constants, we for the first time demonstrate the spatially resolved (in sub-nm) dielectric spectrum of the phospholipid bilayer in a remarkably wide range from terahertz to mid-infrared. More specifically, the membrane head regions exhibit both larger real and imaginary permittivities than that of the tail counterparts in the majority of the 1-100 THz band. In addition, the spatial variation of dielectric properties suggests advantageous propagation characteristics of the phospholipid bilayer in a relatively wide band of 55-85 THz, where the electromagnetic waves are well confined within the head regions.

Automated summary

In this study, we demonstrated for the first time the spatially resolved dielectric spectrum of the phospholipid bilayer in a wide range from terahertz to mid-infrared using atomistic molecular dynamics simulations and numerical calculations. The results showed the differences in permittivities between the head and tail regions, as well as the advantageous propagation characteristics of the phospholipid bilayer in the 55-85 THz band.