Partition coefficients application

Jenke, D.R., Hayward, D.S., Kenley, R.A. (1990) Liquid chromatographic measurement of solute/solvent partition coefficients application to solute/container interactions. J. Chromatogr. Sci. 20, 609-6612. 

There are many other applications. They include detemiination of the ratios of the partition coefficients P IPq) of solutes B and C in two different solvents by using the themiodynamic cycle ... 

Thus, a list of 1 5 descriptors was calculated for these purposes, as described below. The partition coefficient log P (calculated by a method based on the Gho.sc/Crip-pen approach [11]) (see also Chapter X, Section 1.1 in the Handbook) was calculated because it affects the solubility dramatically [17, 18]. All the other descriptors were calculated with the program PETRA (Parameter Estimation for the Treatment of Reactivity Applications) [28. ... 

We have already encountered the ir, a, and p quantities. The 8h term is inserted to account for the cavity effect. Equation (8-80) is a 12-parameter equation for which considerable generality is claimed, in that it is said to be applicable to chemical rates and equilibria, spectra, solubilities, partition coefficients, and even biological responses. Usually, of course, by judicious selection of solvents, it is possible to reduce the number of parameters by ensuring that some terms are negligible.An example requiring most of the parameters in Eq. (8-80) is the solvolysis/dehydrohalogenation of r-butyl chloride in 21 HBD and non-HBD solvents, for which this correlation was found ... 

Sangster, J. Octanol-Water Partition Coefficients Fundamentals and Physical Chemistry, Wiley, Chichester, 1997. n Valko, K. Application of high-performance liquid chromatography based measurements of lipophilicity to model biological distribution. J. Chromatogr. A 2004, 1037, 299-310. 

Paschke, A., Manz, M., Schtiurmann, G. Application of different RP-HPLC methods for the determination of the octanol/water partition coefficient of selected tetrachlorobenzyltoluenes. Chemosphere 2001, 45, 721-728. 

In this chapter, the voltammetric study of local anesthetics (procaine and related compounds) [14—16], antihistamines (doxylamine and related compounds) [17,22], and uncouplers (2,4-dinitrophenol and related compounds) [18] at nitrobenzene (NB]Uwater (W) and 1,2-dichloroethane (DCE)-water (W) interfaces is discussed. Potential step voltammetry (chronoamperometry) or normal pulse voltammetry (NPV) and potential sweep voltammetry or cyclic voltammetry (CV) have been employed. Theoretical equations of the half-wave potential vs. pH diagram are derived and applied to interpret the midpoint potential or half-wave potential vs. pH plots to evaluate physicochemical properties, including the partition coefficients and dissociation constants of the drugs. Voltammetric study of the kinetics of protonation of base (procaine) in aqueous solution is also discussed. Finally, application to structure-activity relationship and mode of action study will be discussed briefly. 

R. -S. Tsai, P.-A. Carrupt, and B. Testa, Measurement of Partition Coefficients Using Centrifugal Partition Chromatography. Method Development and Application to the Determination of Solute Properties, American Chemical Society, Washington DC, 1995, pp. 143-154. 

One possibility for increasing the minimum porosity needed to generate disequilibria involves control of element extraction by solid-state diffusion (diffusion control models). If solid diffusion slows the rate that an incompatible element is transported to the melt-mineral interface, then the element will behave as if it has a higher partition coefficient than its equilibrium partition coefficient. This in turn would allow higher melt porosities to achieve the same amount of disequilibria as in pure equilibrium models. Iwamori (1992, 1993) presented a model of this process applicable to all elements that suggested that diffusion control would be important for all elements having diffusivities less than... 

Morse JW, Bender ML (1990) Partition coefficients in calcite Examination of factors irrflnencing the validity of experimental resnlts and their application to natural systems. Chem Geol 82 265-277 Mucci A, Morse JW (1990) The chemistry of low temperature abiotic calcites Experimental studies on coprecipitation, stability and fractionation. Rev Aquatic Sci 3 217-254 Musgrove ML, Barmer JL, Mack LE, Combs DM, James EW, Cheng H, Edwards RL (2001) Geochronology of late Pleistocene to Holocene speleothems from central Texas Implications for regional paleoclimate. Geol Soc Am Bull 113 1532-1543... 

One of the key parameters for correlating molecular structure and chemical properties with bioavailability has been transcorneal flux or, alternatively, the corneal permeability coefficient. The epithelium has been modeled as a lipid barrier (possibly with a limited number of aqueous pores that, for this physical model, serve as the equivalent of the extracellular space in a more physiological description) and the stroma as an aqueous barrier (Fig. 11). The endothelium is very thin and porous compared with the epithelium [189] and often has been ignored in the analysis, although mathematically it can be included as part of the lipid barrier. Diffusion through bilayer membranes of various structures has been modeled for some time [202] and adapted to ophthalmic applications more recently [203,204]. For a series of molecules of similar size, it was shown that the permeability increases with octa-nol/water distribution (or partition) coefficient until a plateau is reached. Modeling of this type of data has led to the earlier statement that drugs need to be both... 

Clarke, F. H., Ionization constants by curve fitting. Application to the determination of partition coefficients, J. Pharm. Sci. 73, 226-230 (1984). 

The octanol-water partition coefficient Kow is widely used as a descriptor of hydrophobicity. Variation in /fow is primarily attributable to variation in activity coefficient in the aqueous phase (Miller et al. 1985) thus, the same correlations used for solubility in water are applicable to /fow. Most widely used is the Hansch-Leo compilation of data (Leo et al. 1971, Hansch and Leo 1979) and related predictive methods. Examples of Kow correlations are ... 

Ryu, S.-A., Park, S.-J. (1999) A rapid determination method of the air/water partition coefficient and its application. Fluid Phase Equil. 161, 295-304. 

Eadsforth, C.V. (1986) Application of reverse-phase HPLC for the determination of partition coefficients. Pestic, Sci. 17, 311-325. 

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