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Extra resources for Biomembranes Part O: Protons and Water: Structure and Translocation
4 ~(y~/ O. 5 Z/-/'//'~' o, . T I "-" . . " . 5 i & ~' e 3 %. 5 R(~) FIG. 7. Calculated a t o m - w a t e r radial distribution functions and running coordination numbers for the atoms in the CH,_ group of the glycine zwitterion. (a) C(CH2); (b) H4CH_~); (c) H2(CH2).  STRUCTURAL CHEMISTRY OF BIOMOLECULAR HYDRATION 150 120 41 k 90 "~ 6O a A I 30 ~5o ~ V I I I I & 120 dlL 90 60 50 0 I I I I I 2 5 4 5 6 7 R(A) FIc. 8. Orientational correlation vs water-solute atom distance for the atoms in the CH2 group in the glycine zwitterion.
Solution Chem. 3, 727 (1974), Fig. 3, with permission. All details, s u c h as the basis for the single-ion values s h o w n here, are given in this paper. the pair interaction in the solvent, and a volume factor which depends on the sizes of a and b and the distance between them. Such models have been applied to a variety of aqueous solutions. 43'45'48'5°'5zFor example, the data in the table were obtained by fitting the model potentials to the data for the solubility of normal alkanes in solutions of tetra(alkyl)ammonium bromides.
Rode, Chem. Phys. Lett. 106, 317 (1984). 20 WATER, IONS, AND BIOMOLECULES ~'+_(r)  i 0 II ! -2 t "'~----~ / -4 2 3 4 5 6 r/~, ' FIG. 8. Solvent-averaged potential for Na+-CI pair in water. , Simulation of'a TIPS model. From M. Berkowitz, O. A. Karim, J. A. McCammon, and P. J. Rossky, Chem. Phys. Lett. ]I)5, 577 (1984) with permission. ---, An integral equation approximation applied to a slightly different model. - - , A model of the type in Eq. (15) with a soft-core potential. From unpublished work by P.