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Ion hydration in nanopores and the molecular basis of selectivity

机译:纳米孔中的离子水合和选择性的分子基础

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Using a simple model, it is shown that the cost of constraining a hydrated potassium ion inside a narrow pore is smaller than the cost of constraining hydrated sodium or lithium ions in pores of radius around 1.5 angstrom. The opposite is true for pores of radius around 2.5 angstrom. The reason for the selectivity in the first region is that the potassium ion allows for a greater distortion of its hydration shell and can therefore maintain a better coordination, and the reason for the reverse selectivity in the second region is that the smaller ions retain their hydration shells in these pores. This is relevant to the molecular basis of ion selective channels, and since this mechanism does not depend on the molecular details of the pore, it could also operate in all sorts of nanotubes. (c) 2006 Published by Elsevier B.V.
机译:用一个简单的模型表明,约束狭窄孔内水合钾离子的成本比约束半径为1.5埃的孔内水合钠或锂离子的成本小。对于半径约为2.5埃的孔,情况恰恰相反。在第一个区域中具有选择性的原因是钾离子允许其水合壳更大变形,因此可以保持更好的配位,而在第二个区域中具有反向选择性的原因是较小的离子保留了它们的水合这些毛孔中的贝壳。这与离子选择通道的分子基础有关,并且由于该机制不取决于孔的分子细节,因此它也可以在各种纳米管中起作用。 (c)2006年由Elsevier B.V.

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