A correlation for estimation of the aqueous solubility of organic compounds that is based on a training set of 120 chemicals is proposed. The new model proposed is predictive and requires only molecular connectivity indices in the calculations. The calculated results of the new model are comparable
The Estimation of the Diffusion Constant and Solubility of O2in Tissue Using Kinetics
โ Scribed by HAROLD B. DOWSE; STEVEN NORTON; BRUCE D. SIDELL
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 174 KB
- Volume
- 207
- Category
- Article
- ISSN
- 0022-5193
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โฆ Synopsis
The di!usion of a gas through a substance in which it is soluble is analogous to the passage of electric current through a circuit with both capacitance and resistance. We model steady-state di!usion employing this analogy, and extend the model to include a description of the kinetics of systems under circumstances of changing partial pressure, applying two physical constants from electrical circuitry to gas di!usion: capacitance ( ) and resistance (R). We represent the substrate of the di!usion as a capacitor being charged through a resistor after the rapid imposition of a voltage change. Using the insight derived from this model we have devised an experimental system that allows us to approximate both D, the di!usion coe$cient, and , solubility, directly from the kinetic data. We do this by recording the exponential change in P O on one side of a sheet of material both with and without the addition of a purely resistive barrier of known resistivity. The method was used to estimate D and for distilled water at a number of temperatures, olive oil, and the belly skin of Rana catesbeiana.
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## Abstract Reasons for the low reliability of the Compare e.g. former results cited in [3][4] with our results in [3]. HโNMR estimation of the dimerisation constant of caffeine in D~2~O are discussed. The main reasons are (__1__) strong influence of small variations in the monomer shifts ฮด~0~ whi