Properties of Hydrated Alkali Metals Aimed at the Ion Channel Selectivity |
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| Authors: | AN Hai-Long LIU Yu-Zhi ZHANG Su-Hua ZHAN Yong ZHANG Hai-Lin |
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| Affiliation: | Department of Pharmacology, Hebei Medical University, Shijiazhuang 050017Institute of Biophysics, Hebei University of Technology, Tianjin 300130 |
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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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