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Properties of Hydrated Alkali Metals Aimed at the Ion Channel Selectivity |
| AN Hai-Long1,2, LIU Yu-Zhi2, ZHANG Su-Hua2, ZHAN Yong2, ZHANG Hai-Lin1 |
| 1Department of Pharmacology, Hebei Medical University, Shijiazhuang 0500172Institute of Biophysics, Hebei University of Technology, Tianjin 300130 |
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| Cite this article: |
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AN Hai-Long, LIU Yu-Zhi, ZHANG Su-Hua et al 2008 Chin. Phys. Lett. 25 3165-3168 |
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Abstract The hydration structure properties of different alkali metal ions with eight water molecules and potassium ions with different numbers of water molecules are studied using the mixed density functional theory, B3LYP, with 6-311G basis set. The hydration structures are obtained from structure optimization and the optimum numbers of water molecules in the innermost hydration shell for the alkali metal ions are found. Some useful information about the ion channel selectivity is presented.
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| Keywords:
05.10.Gg
31.15.Ew
87.16.Uv
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Received: 07 April 2008
Published: 29 August 2008
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[1] Rempe S B, Pratt L R, Hummer G, Kress J D, Martin R L andRedondo A 2000 J. Am. Chem. Soc. 122 5
[2] Pratt L R and Rempe S B 1999 Simulation and Theory ofElectrostatic Interactions in Solution ed Pratt L R and Hummer G(New York: AIP) p 172
[3] Driesner T, Ha T K and Seward T M 2000 Geochimica etCosmochimica Acta 64 3007
[4] Holovko M, Druchok M and Bryk T 2004 Current Opinionin Colloid and Interface Science 9 64 |
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