Rowlands’ method

The Poulin and Theil (homogeneous and extracellular), Berezhkovskly and Rodgers, Leahy, and Rowland methods for calculating partition coefficients are among those available in the program. The Poulin and Theil and Berezhkovskly models take into consideration the volume fractions of water, phospholipids, neutral hpids, and unbound protein fractions in tissues and plasma (fut and fup). The Poulin and Theil models do not take into consideration unbound proteins. 

I J, J C Cole, J P M Lommerse, R S Rowland, R Taylor and M L Verdonk 1997. Isostar A Libraij )f Information about Nonbonded Interactions. Journal of Computer-Aided Molecular Design 11 525-531. g G, W C Guida and W C Still 1989. An Internal Coordinate Monte Carlo Method for Searching lonformational Space. Journal of the American Chemical Scociety 111 4379-4386. leld C and A J Collins 1980. Introduction to Multivariate Analysis. London, Chapman Hall, ig C-W, R M Cooke, A E I Proudfoot and T N C Wells 1995. The Three-dimensional Structure of 1 ANTES. Biochemistry 34 9307-9314. 

Ross filter method, 108, 109 Rowland grating, concave, 121 Rubidium, determination by x-ray emission spectrography, 328 Ruthenium, determination by x-ray emission spectrography, 328... 

L.G. RandaU, W.S. Miles, F. Rowland and C.R. Knipe, Designing a Sample Preparation Method Which Employs Supercritical Fluid Extraction (SFE), Hewlett-Packard Publ. 435091-2102E, Wilmington, DE (1994). 

Broadhurst, D., Goodacre, R., Jones, A., Rowland, J. J., Kell, D. B. Anal. Chim. Acta 348, 1997, 71-86. Genetic algorithms as a method for variable selection in multiple Unear regression and partial least squares regression, with applications to pyrolysis mass spectrometry. 

As shown by Ruderman and Kittel (77) and Bloembergen and Rowland (78), Aij in a solid is dependent on the nature of the energy bands in the solid. For metals A is proportional to the product of the square of the electron density of Fermi surface electrons at the nucleus and the effective mass, and decreases as the inverse cube of the internuclear distance. Insulators have been treated by the energy band method (78) and by a molecular method (79) where each atom is considered to be bonded to its nearest neighbors. Unfortunately, both of these methods involve approximations in the evaluation of An which are quite crude at present. 

Wynne Aherne, G., Rowlands, M.G., Stimson, L. and Workman, P. (2002) Assays for the identification and evaluation of histone acetyltransferase inhibitors. Methods (San Diego, Calif), 26,... 

Various procedures are used to separate milk proteins into fractions or individual components that can quantitated separately. A classic method of fractionation is by precipitation at pH 4.6, which separates the proteins into two groups—caseins in the precipitate and whey proteins in the supernatant. All proteins are precipitated from a second aliquot with trichloroacetic acid at 12% (w/v) concentration (Rowland 1938), and concentrations of casein and whey proteins are calculated as follows ... 

In dmg discovery, preliminary PK studies are usually conducted in rodents to evaluate the extent of dmg exposure in vivo. This is commonly followed by PK studies in larger animals such as dog or monkey to better characterize the PK profile of the compound and to support safety studies. Pharmacokinetic scaling (also called allometry) is a discipline that is used to predict human PK profiles using preclinical data and is widely used in predicting the dmg human half-life, dose, and extent of absorption. Accurate prediction of a human PK profile is imperative to minimize dmg failure in development due to poor PK attributes. A detailed description of methods in predicting human PK is beyond the scope of this chapter but can be found in many excellent reviews (Obach et al., 1997 Miners et al., 2004 Poggesi, 2004 Raunio et al., 2004 Thomas et al., 2006 Hurst et al., 2007). A more in-depth discussion of various PK concepts and their applications can be found in various references (Gibaldi and Perrier, 1982 Rowland and Tozer, 1995 Hurst et al., 2007). 

Adams WJ, Rowland CD. 2003. Aquatic toxicology test methods. In Hoffman DJ, Rattner BA, Burton GA, Cairns J, Jr, editors. Handbook of ecotoxicology. Boca Raton (FL) Lewis Publishers, p 19-43. 

Toon and Rowland [557] used a similar method for the optimization of the composition of a binary mobile phase in RPLC. However, they did not use eqns.(5.16) and (5.17), but plotted lines for the observed front and back of the peak. Since these quantities are affected not only by the capacity factor and the peak width of the solute, but also by the sensitivity of the detection, the method of Colin et al. is to be preferred. 

The second woman to pass the Major was Lucy Boole (see Chap. 4).58 After serving her apprenticeship with Clarke, Boole became the first woman in Britain to undertake research in pharmaceutical chemistry. Working with Wyndham Rowland Dunstan,59 Professor of Chemistry to the Pharmaceutical Society (and a Vice-President of the GPDSC), Boole s 1889 procedure for the analysis of tartar emetic, published in the Pharmaceutical Journal, became the official method of assay from that date until 1963. She continued her research in the Pharmaceutical Society s laboratory for some years after her appointment as Lecturer in Chemistry at the LSMW. 

Rowland, S.P. and Bertoniere, N.R., Chemical methods of studying supramolecular structure, in Cellulose Chemistry and Its Applications, Nevell, T.P. and Zeronian, S.H., Eds., Ellis Horwood Ltd., Chichester, England, 1985, chap. 4, p. 112. 

The other possibility for the discovery of such tropospheric sinks, either singly or in combination, lies through comparisons of the total amounts of CChF and CChF2 found in the atmosphere with the amounts expected still to be there if stratospheric photodecomposition is the only important removal process [Rowland and Molina, 1976]. An alternative to this integral approach is the differential, trend analysis method in which incremental changes in atmospheric burden are compared with incremental emissions to the atmosphere over a particular period of time. The most complete application of the trend analysis procedure has been carried out through the Atmospheric Lifetime Experiment (ALE) sponsored for its first several years by C.M.A. and now by N.A.S.A. [Cunnold et al., 1978, 1983a,b Prinn et al., 1983 Simmonds et al., 1983]. 

X-ray emission rates in simple molecules have been extensively studied by Larkins and his group [10,11]. Larkins and Rowlands [12] made the MO calculations with the complete-neglect-of-differential-overlap (CNDO/2) method and pointed out that there are significant contributions of interatomic transitions to the C K x-ray emission rates in CO, HCN, and CO2 molecules, but relative intensities are less sensitive to inclusion of crossover transitions. Applying the ab initio MO method to CO, they also examined [13] various factors influencing the molecular x-ray emission rate, such as choice of basis set, choice of length and velocity forms, electronic relaxation effect, and interatomic contributions. Phillips and Larkins extended their calculations to other simple molecules [14,15]. 

The determination of the specific heat of water at various temperatures (that at 15°C. being the standard or unit of heat, 1 g.cal., 1,12.11) is equivalent to the determination of the mechanical equivalent of heat, and the methods have been mentioned ( 12,14.11). Its variation with temperature was first established by Rowland (1879-80). 

Steimer, J.L. Population models and methods, with emphasis on pharmacokinetics. In New Strategies in Drug Development and Clinical Evaluation The Population Approach Rowland, M., Aarons, L., Eds. Commission of European Communities Luxembourg, 1992 31 0. 

Regardless of whether the data are analysed by a compartmental or non-compartmental method, the duration of blood sampling and the limit of quantification of the analytical method used to measure the drug concentration are important features of the pharmacokinetic study. The MRT, after an intravenous bolus dose of a drug can be estimated from either plasma drug concentration or urinary excretion data (Rowland Tozer, 1989). 

To address the inaccuracy of estimates for volume at steady state (Vss) for strongly basic drug molecules, Rodgers and Rowland have proposed an extension to the tissue composition method that takes into account the volume fraction of acidic phospholipids. Presumably, the higher values of Vss observed for these basic molecules is due to the interaction of the cationic state (at physiological pH) of the base with the anionic state of the acidic phospholipids [82-85], Several commercial software programs are now extensively used in the pharmaceutical industry for PBPK modeling [86, 41, 87, 11]. 

If specific literature recommendations and/or the relationship of kinetic parameters to CLcr are not available, then one can estimate the kinetic parameters of the patient with the method of Rowland and Tozer, provided you know the fraction of the drug that is eliminated renaUy unchanged (f ) in subjects with normal renal function. This approach assumes that the change in CL and k are proportional to CLcr, that renal disease does not alter the drug s metabolism, that the metabolites if formed are inactive and nontoxic, that the drug obeys first-order (linear) kinetic principles, and that it is adequately described by a one-compartment model. If these assumptions are true, then the kinetic parameter/dosage adjustment factor (Q) can be calculated as ... 

This method for the separation of deuterated olefin isomers has been used successfully by Ache and Wolf [66]. Fig. 6.2C shows the separation of ethylene (1), ethylene-d, (2) and ethylene-dj (3) by circular chromatography. The separation obtained at the ninth cycle took about 100 min. Successful separation of the deuterated olefins on columns containing a complexing stationary phase, i.e., silver nitrate solution in ethylene glycol, gave the possibility of separating isotopic olefin position isomers labelled also with tritium. Lee and Rowland [65] demonstrated the possibility of this separation. Fig. 6.2D shows the separation of ethylene (1), ethylene-t, (2) and propylenes CHj H—CH=CH2... 

D. Broadhurst, R. Goodacre, A. Jones, J.J. Rowland and D.B. Kell, Genetic Algorithms as a Method for Variable Selection in Multiple Linear Regression and Partial Least Squares Regression, with Applications to Pyrolysis Mass Spectrometry, Analytica Chimica Acta, 348(1-3) (1997), 71-86. 

---