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Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Proc+Natl+Acad+Sci+U+S+A 2015 ; 112 (35): 10851-6 Nephropedia Template TP
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Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels #MMPMID26283377
Li H; Francisco JS; Zeng XC
Proc Natl Acad Sci U S A 2015[Sep]; 112 (35): 10851-6 PMID26283377show ga
Ion channels facilitate diffusion of ions across biological membranes. It has been a longstanding puzzle as to why the larger-sized K+ ion can diffuse across the narrow potassium channel, whereas the smaller Na+ cannot. Recently synthesized nanopores also possess ion selectivity, suggesting different mechanisms for the selective ion transport. Here, we employ ab initio molecular dynamics simulation to investigate structural and dynamical properties of aqua Na+ and K+ ions in hydrophobic nanochannels. We find that the aqua-Na+ ion has a smaller-sized but more structured and robust hydration shell, leading to low diffusivity in subnanometer channels. We predict that the (8, 8) carbon nanotube is possibly the best artificial K+-selective channel and may give rise to the highest K+ transportation rate.