Gekle Stephan, Netz Roland R
Fachbereich Physik, Universität Bayreuth , Bayreuth, Germany.
J Phys Chem B. 2014 May 8;118(18):4963-9. doi: 10.1021/jp501562p. Epub 2014 Apr 29.
Radio-frequency (RF) electromagnetic fields are readily absorbed in biological matter and lead to dielectric heating. To understand how RF radiation interacts with macromolecular structures and possibly influences biological function, a quantitative description of dielectric absorption and heating at nanometer resolution beyond the usual effective medium approach is crucial. We report an exemplary multiscale theoretical study for biomembranes that combines (i) atomistic simulations for the spatially resolved absorption spectrum at a single planar DPPC lipid bilayer immersed in water, (ii) calculation of the electric field distribution in planar and spherical cell models, and (iii) prediction of the nanometer resolved temperature profiles under steady RF radiation. Our atomistic simulations show that the only 2 nm thick lipid hydration layer strongly absorbs in a wide RF range between 10 MHz and 100 GHz. The absorption strength, however, strongly depends on the direction of the incident wave. This requires modeling of the electric field distribution using tensorial dielectric spectral functions. For a spherical cell model, we find a strongly enhanced RF absorption on an equatorial ring, which gives rise to temperature gradients inside a single cell under radiation. Although absolute temperature elevation is small under conditions of typical telecommunication usage, our study points to hitherto neglected temperature gradient effects and allows thermal RF effects to be predicted on an atomistically resolved level. In addition to a refined physiological risk assessment of RF fields, technological applications for controlling temperature profiles in nanodevices are possible.
射频(RF)电磁场很容易被生物物质吸收并导致介电加热。为了理解射频辐射如何与大分子结构相互作用并可能影响生物功能,超越通常的有效介质方法,在纳米分辨率下对介电吸收和加热进行定量描述至关重要。我们报告了一项针对生物膜的示例性多尺度理论研究,该研究结合了:(i)对浸没在水中的单个平面二棕榈酰磷脂酰胆碱(DPPC)脂质双层的空间分辨吸收光谱进行原子模拟;(ii)计算平面和球形细胞模型中的电场分布;(iii)预测在稳定射频辐射下纳米分辨率的温度分布。我们的原子模拟表明,仅2纳米厚的脂质水合层在10兆赫兹至100吉赫兹的宽射频范围内有强烈吸收。然而,吸收强度强烈依赖于入射波的方向。这需要使用张量介电谱函数对电场分布进行建模。对于球形细胞模型,我们发现在赤道环上射频吸收显著增强,这在辐射下会导致单个细胞内部产生温度梯度。尽管在典型电信使用条件下绝对温度升高很小,但我们的研究指出了迄今被忽视的温度梯度效应,并允许在原子分辨率水平上预测射频热效应。除了对射频场进行更精确的生理风险评估外,还可能用于控制纳米器件温度分布的技术应用。