Physicochemical parameters, effect

Cobo, M. G., Palacios, M. A., and Camara, C., Effect of Physicochemical Parameters on Trace Inorganic Selenium Stability, Analytica Chimica Acta, 286, 1994, 371-379. 

The main parameters that affect the cost-effectiveness of soil washing include the physicochemical parameters of the soil (grain size distribution, cation exchange capacity, percentage of silt, clay, or organic matter), and the type and concentration of contaminants. 

A classical Hansch approach and an artificial neural networks approach were applied to a training set of 32 substituted phenylpiperazines characterized by their affinity for the 5-HTiA-R and the generic arAR [91]. The study was aimed at evaluating the structural requirements for the 5-HTiA/ai selectivity. Each chemical structure was described by six physicochemical parameters and three indicator variables. As electronic descriptors, the field and resonance constants of Swain and Lupton were used. Furthermore, the vdW volumes were employed as steric parameters. The hydrophobic effects exerted by the ortho- and meta-substituents were measured by using the Hansch 7t-ortho and n-meta constants [91]. The resulting models provided a significant correlation of electronic, steric and hydro-phobic parameters with the biological affinities. Moreover, it was inferred that the... 

The design of an effective CE separation system is highly facilitated by previous knowledge of some physicochemical parameters of analyses, such as ionic charge, molecular mass, solubility and stability. Generally, the best separation of small charged species can be achieved by CZE, while MEKC can be employed for the separation of small uncharged analyses. 

The applicability of Eq. (45) to a broad range of biological (i.e., toxic, geno-toxic) structure-activity relationships has been demonstrated convincingly by Hansch and associates and many others in the years since 1964 [60-62, 80, 120-122, 160, 161, 195, 204-208, 281-285, 289, 296-298]. The success of this model led to its generalization to include additional parameters in attempts to minimize residual variance in such correlations, a wide variety of physicochemical parameters and properties, structural and topological features, molecular orbital indices, and for constant but for theoretically unaccountable features, indicator or dummy variables (1 or 0) have been employed. A widespread use of Eq. (45) has provided an important stimulus for the review and extension of established scales of substituent effects, and even for the development of new ones. It should be cautioned here, however, that the general validity or indeed the need for these latter scales has not been established. 

The classical FEE retention equation (see Equation 12.11) does not apply to ThEEE since relevant physicochemical parameters—affecting both flow profile and analyte concentration distribution in the channel cross section—are temperature dependent and thus not constant in the channel cross-sectional area. Inside the channel, the flow of solvent carrier follows a distorted, parabolic flow profile because of the changing values of the carrier properties along the channel thickness (density, viscosity, and thermal conductivity). Under these conditions, the concentration profile differs from the exponential profile since the velocity profile is strongly distorted with respect to the parabolic profile. By taking into account these effects, the ThEEE retention equation (see Equation 12.11) becomes ... 

Other evidence judged to be relevant to an evaluation of carcinogenicity and of sufficient importance to affect the overall evaluation is then described. This may include data on preneoplastic lesions, tumour pathology, genetic and related effects, structure-activity relationships, metabolism and pharmacokinetics, physicochemical parameters and analogous biological agents. 

The presence of soil complicates metal removal because soils sorb metals strongly and can also affect microbial—metal complexation. Walkeretal. (1989) showed that purified preparations of cell walls from Bacillus subtilis and Escherichia coli (423 to 973 mmol metal/g cell wall) were more effective than either of two clays, kaolinite (0.46 to 37 mmol metal/g clay), or smectite (1 to 197 nmol metal/g clay), in the binding of seven different metals. However, in the presence of cell-wall/clay mixtures, binding was reduced. In summary, there are several parameters that affect metal complexation. These include specific surface properties of the organism, cell metabolism, metal type, and the physicochemical parameters of the environment. 

Cobo, M.G., Palacios, M.A., Camara, C., Reis, F. and Quevauviller, Ph. (1994) Effect of physicochemical parameters on trace inorganic selenium stability. Anal. Chim. Acta, 286, 371. 

There are no differences between the physicochemical parameters of the methyl and the ethyl derivatives, indicating that only steric effects produce differences in their chemical properties. 

For Greene (2002) one of the limitations of DfW is that only a few physicochemical parameters are used, he suggested that their use should be extended to include other 2D and 3D parameters and also their use in predicting other toxicological endpoints should be explored further. Another point is that the activating and detoxification effects of metabolism need to be explored in more detail. At least with the help of links... 

In addition to elucidation of molecular structures, NMR can also extract valuable information about physicochemical parameters. Because of the omnipresence of protonated solvents in CE/CEC, mobile-phase events can be monitored with NMR. Early studies using E-NMR involved the calculation of diffusion coefficients, electrophoretic mobilities, and viscosity [27]. Stagnant mobile-phase mass transfer kinetics and diffusion effects [60] and fluid mass transfer resistance in porous media-related chromatographic stationary phases [61] have been studied with NMR spectroscopy. NMR imaging of the chromatographic process [62] and NMR microscopy of chromatographic columns [63] have also been reported. Several applications of NMR to on-line studies of CE/ and CEC/ NMR are highlighted. 

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