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. Author manuscript; available in PMC: 2011 Nov 19.
Published in final edited form as: J Mol Biol. 2010 Sep 25;404(1):138–157. doi: 10.1016/j.jmb.2010.09.043

Table 2.

TMAO-solute interaction free energies

Solute μ23/RT, m−1 μ23ex, cal/mol/m (25 °C)
purine 0.1425 ± 0.018 94.7 ± 10.6
cytidine 0.161 ± 0.024 106 ± 14
uridine 0.145 ± 0.017 96 ± 10
glycerol −0.0503 ± 0.0072 −17.3 ± 4.2
Potassium dimethylphosphate 0.322 ± 0.027 211 ± 16
KCl −0.0018 ± 0.015 -
amino acid side chain ΔGtransfer, cal/mol/mb
Ala −13.6
Leu 10.8
Phe −8.65
Trp −141.8
Tyr −106.0
His 39.0
Arg −101.4
a

μ23/RT is the slope of ΔOsm (eq 7) plotted as in Figure 4B. μ23ex is calculated from μ23/RT at 25 °C and includes a correction for the ideal entropy of mixing. See Background (eq 79) and Materials and Methods for details.

b

Transfer free energies based on relative solubilities of amino acids in water and 1 M TMAO, taken from reference 8. The transfer free energy of glycine has been subtracted, so ΔGtransfer applies to the amino acid side chain. The partial molar volume of TMAO68 was used to transform ΔGtransfer from molar to molal units.