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Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2017-09-14 00:00:00 , DOI: 10.1021/acs.jpclett.7b02323
Christian J. Burnham 1 , Niall J. English 1
Affiliation  

An extensive suite of nonequilibrium molecular-dynamics (NEMD) simulations have been performed for ∼60 ns of human aquaporin 4 in externally applied circularly polarized (CP) electric fields, applied axially along channels. These external fields were 0.05 V/Å in intensity and 100 GHz in frequency. This has the effect of “electro-pumping” the water through the pores as prototypical biochannels, from conversion of molecules’ spin angular momentum to linear momentum in the asymmetric heterogeneous-frictional environment of the pores, thus inducing overall net flow. Water’s osmotic permeability was enhanced very substantially (doubled) vis-à-vis the zero-field case. This raises the tantalizing possibility of CP-field-mediated control of water permeability in aquaporins, or other biological (or biomimetic) channels as a potential viable and competitive water-treatment technology.

中文翻译:

圆极化电场通过人水通道蛋白4电泵抽水:非平衡分子动力学显着增强和控制

在沿通道轴向施加的外部施加的圆极化(CP)电场中,已对约60 ns的人类水通道蛋白4进行了一系列广泛的非平衡分子动力学(NEMD)模拟。这些外部电场的强度为0.05 V /Å,频率为100 GHz。这具有将水作为原型生物通道“电泵送”通过孔的作用,从分子的自旋角动量转换为孔的非对称异质摩擦环境中的线性动量,从而诱导了总体净流量。与零场情况相比,水的渗透渗透率得到了极大的提高(翻倍)。这增加了CP领域介导的水通道蛋白水渗透性控制的诱人可能性,
更新日期:2017-09-14
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