Reproducibility electrical parameters

Regulated direct current (DC) power supplies designed for electrophoresis allow control of every electrophoretic mode. Constant voltage, constant current, or constant power conditions can be selected. Many power supplies have timers and some have integrators allowing runs to be automatically terminated after a set time or number of volt-hours (important in IEF). All modes of operation can produce satisfactory results, but for best results and good reproducibility some form of electrical control is important. The choice of which electrical parameter to control is almost a matter of preference. The major limitation is the ability of the chamber to dissipate the heat generated by the electrical current. 

Reproducible and accurate measurements of electrical conductivity of paper are of great importance in a number of technologies. Two commonly measured electrical parameters of paper are its surface and bulk conductivity. A method for measuring surface conductivity has been reported by Greismer 13, and his recommendations were incorporated in D.C. surface conductivity measurements reported by Howlett and Landheer 14. ... 

Figure 6 shows the field dependence of hole mobiUty for TAPC-doped bisphenol A polycarbonate at various temperatures (37). The mobilities decrease with increasing field at low fields. At high fields, a log oc relationship is observed. The experimental results can be reproduced by Monte Carlo simulation, shown by soHd lines in Figure 6. The model predicts that the high field mobiUty follows the following equation (37) where d = a/kT (p is the width of the Gaussian distribution density of states), Z is a parameter that characterizes the degree of positional disorder, E is the electric field, is a prefactor mobihty, and Cis an empirical constant given as 2.9 X lO " (cm/V). ...

In this instance, the (5)-enantiomer data have been negated prior to plotting. From previous discussion of the antisymmetry of the parameters under enantiomer exchange (e.g., Section III.A) it is recognized that it is then to be expected that the (R)- and (5)-enantiomer data should fall on the same experimental trend line. That they do indeed do so shows, as was argued in the Section IV.A for fenchone, that the behavior is at least qualitatively in accord with a pure electric dipole model. Furthermore, combining two distinct data sets [(/ )- and (5)-enantiomers] in this manner provides a consistency check on the reproducibility of the PECD data. It seems good practice to include measurement of both enantiomers, where this is feasible, in an experimental study. 

When parameters of the Pariser-Parr-Pople configuration interaction molecular orbital (PPP-CI MO) method were modified so as to reproduce the Aol)s values for l,3-di(5-aryl-l,3,4-oxadiazol-2-yl)benzenes 16 and 17, the calculated HOMO and LUMO energy levels corresponded with the experimental ionization potential and electron affinity values. The relationships between the electrical properties and molecular structures for the dyes were investigated. The absorption maximum wavelengths for amorphous films were found to be nearly equal to those for solution samples <1997PCA2350>. 

Although the potential energy functions can be made to reproduce thermodynamic solvation data quite well, they are not without problems. In some cases, the structure of the ion solvation shell, and in particular the coordination number, deviates from experimental data. The marked sensitivity of calculated thermodynamic data for ion pairs on the potential parameters is also a problem. Attempts to alleviate these problems by introducing polarizable ion-water potentials (which take into account the induced dipole on the water caused by the ion strong electric field) have been made, and this is still an active area of research. 

In an abstract sense, parameterization can be a very well-defined process. The goal is to develop a model that reproduces experimental measurements to as high a degree as possible. Thus, step 1 of parameterization is to assemble the experimental data. For molecular mechanics, these data consist of structural data, energetic data, and, possibly, data on molecular electric moments. We will discuss the issues associated with each kind of datum further below, but for the moment let us proceed abstractly. We next need to define a penalty function , that is, a function that provides a measure of how much deviation there is between our predicted values and our experimental values. Our goal will then be to select force-field parameters that minimize the penalty function. Choice of a penalty function is necessarily completely arbitrary. One example of such a function is... 

For each of the above protocols paired measurements of one or several given parameters of tubule transport are obtained under control conditions and in the presence of a substance under study. Also concentration response curves can be obtained in one single preparation (Schlatter et al. 1983 Wangemann et al. 1986 Wittner et al. 1987). Intracellular measurements are usually required to define the mechanism of action (Greger 1985). Especially the electrical and optical measurements have a very high reproducibility. For screening usually 3 preparations are sufficient. Approximately 10 preparations are required for concentration response curves. 

Figure 3.17. Computer-simulated resist profiles (SAMPLE). Operating input parameters include matched substrate, AZ1350J resist, 4358 A, 90 mjlcm, NA = 0.35, a = 9.99, defocus 0.0, development 80 s. The open image (B = 0.058) simulates AZ1350J performance. The shallow profile (B = 1.96) was generated from identical input parameters with the exception that the un-bleachahle absorbance (B) was adjusted to the value corresponding to the absorbance of 1 xm of novolac at 254 nm. (Reproduced with permission from reference 37. Copyright 1981 Institute of Electrical and Electronics Engineers.]...

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