Hydrogen bonding. 30. Solubility of gases and vapors in biological liquids and tissues.
The general solvation equation log L = c + rR2 + pi H2 + a alpha H2 + b beta H2 + l log L16 has been used to analyze the solubility of solute gases and vapors, as log L values, in water, blood, and a variety of other biological fluids and tissues. The explanatory variables are R2, the solute excess molar refraction; pi H2, the solute dipolarity/polarizability; alpha H2 and beta H2, the solut hydrogen-bond acidity and basicity; and log L16, where L16 is the solute Ostwald solubility coefficient of hexadecane. The obtained coefficients then serve to characterize the biological phase as follows: r + s is the phase dipolarity/polarizability, a is the phase hydrogen-bond basicity, b is the phase hydrogen-bond acidity, ald l is the phase lipophilicity. In addition to characterization of phases, the equation can be used to determine quantitatively solute/phase interactions and predict further log L values. A similar equation in which McGowan's characteristic volume, Vx, replaces the log L16 descriptor can be used to analyze partitions between phases. For example, water/phase and blood/phase partition coefficients are analyzed, and the analysis leads again to coefficients that characterize phases and to the prediction of partition coefficients.
Abraham
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Department of Chemistry, University College London, U.K.
Weathersby
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D001769:Blood / Q000378:metabolism*; D001826:Body Fluids / Q000378:metabolism*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005740:Gases / Q000737:chemistry* / Q000378:metabolism / Q000493:pharmacokinetics*; D006801:Humans; D006860:Hydrogen Bonding; D012044:Regression Analysis; D012995:Solubility; D014556:Urine / Q000737:chemistry
D005740:Gases