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. Author manuscript; available in PMC: 2013 Jun 7.
Published in final edited form as: J Am Chem Soc. 2012 Jul 16;134(29):12043–12053. doi: 10.1021/ja301454u

Table 1.

Contains (from top to bottom) number of ions in each simulation, raw concentrations determined 20 Å beyond RNA (asterisk), concentrations corrected with a small potential perturbation approximation, and preferential interaction coefficients (Γ) obtained from the corrected concentrations.

0 mM 0 mM 1 mM 6 mM 10 mM
N Mg2+ 0 1 11 22 33
N K+ 137 133 116 100 84
N Cl 45 43 46 52 58

[Mg2+]*a 0.0 ± 0.0 mM 0.0 ± 0.0 mM 1.1 ± 0.9 mM 6.7 ± 2.6 mM 11.2 ± 1.6 mM
[K+]* 115.3 ± 2.6 mM 114.2 ± 1.6 mM 113.8 ± 1.9 mM 110.0 ± 4.9 mM 105.5 ± 2.7 mM
[Cl]* 93.1 ± 1.8 mM 90.0 ± 1.1 mM 94.8 ± 1.2 mM 106.5 ± 1.4 mM 115.3 ± 0.7 mM

[Mg2+]b 0.0 ± 0.0 mM 0.0 ± 0.0 mM 0.9 ± 0.7 mM 5.8 ± 2.2 mM 10.2 ± 1.4 mM
[K+] 103.0 ± 2.0 mM 100.6 ± 1.2 mM 102.5 ± 1.7 mM 102.3 ± 4.6 mM 100.5 ± 2.5 mM
[Cl] 103.0 ± 2.0 mM 100.6 ± 1.2 mM 104.2 ± 1.1 mM 113.9 ± 1.9 mM 120.8 ± 0.8 mM

Γ Mg2+ 0.0 ± 0.0 1.0 ± 0.0 10.5 ± 0.4 18.7 ± 1.3 27.2 ± 0.8
Γ K+ 78.0 ± 1.1 75.4 ± 0.7 57.3 ± 1.0 41.4 ± 2.6 26.5 ± 1.5
Γ Cl -14.0 ± 1.1 -14.6 ± 0.7 -13.7 ± 0.6 -13.2 ± 1.1 -11.2 ± 0.5
a

Raw concentration

b

Corrected concentration ∝ N – Γ