Multi-CASE

Klopman, G. and Rosenkranz, H.S., Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using MULTI-CASE, Mutation Res., 305, 33 -6, 1994. 

In 1992 the formalism developed for CASE was extended to a new product, MultiCASE (Multiple Computer Automated Structure Evaluation). Multi-CASE introduced the concept of modulators of biophores and biophobes,... 

Klopman G, Rosenkranz FIS. Approaches to SAR in carcinogenesis and mutagenesis—Prediction of carcinogenicity/mutagenicity using multi-case. Mutat Res 1994 305 (l)33-46. 

Klopman G. MULTI-CASE 1. A hierarchical computer automated structure evaluation program. Quant Struct-Act Rel 1992 11 176-84. 

If gas export or disposal is a problem gas re-injection into the reservoir may be an alternative, although this implies additional compression facilities. Gas production may be reduced using well intervention methods similar to those described for reducing water cut, though in this case up-dip wells would be isolated to cut back gas influx. Many of the options discussed under water treatment for multi-layered reservoirs apply equally well to the gas case. 

The saturation coverage during chemisorption on a clean transition-metal surface is controlled by the fonnation of a chemical bond at a specific site [5] and not necessarily by the area of the molecule. In addition, in this case, the heat of chemisorption of the first monolayer is substantially higher than for the second and subsequent layers where adsorption is via weaker van der Waals interactions. Chemisorption is often usefLil for measuring the area of a specific component of a multi-component surface, for example, the area of small metal particles adsorbed onto a high-surface-area support [6], but not for measuring the total area of the sample. Surface areas measured using this method are specific to the molecule that chemisorbs on the surface. Carbon monoxide titration is therefore often used to define the number of sites available on a supported metal catalyst. In order to measure the total surface area, adsorbates must be selected that interact relatively weakly with the substrate so that the area occupied by each adsorbent is dominated by intennolecular interactions and the area occupied by each molecule is approximately defined by van der Waals radii. This... 

In the following, we shall demonstrate techniques for calculating the electronic potential energy terms up to the second order. For simplicity, we shall study the case of H2 molecule, the simplest multi-electron diatomic molecule. 

The ideas presented above on the representation of bonding in molecular structures by electron. systems can be extended to the different t> pcs of bonding in or-ganoinetallic complexes. Such a system has not yet been fully elaborated but tire scheme is illustrated with one example, the case of multi-haptic bonds. 

For organometailic compounds, the situation becomes even more complicated because the presence of elements such as platinum, iron, and copper introduces more complex isotopic patterns. In a very general sense, for inorganic chemistry, as atomic number increases, the number of isotopes occurring naturally for any one element can increase considerably. An element of small atomic number, lithium, has only two natural isotopes, but tin has ten, xenon has nine, and mercury has seven isotopes. This general phenomenon should be approached with caution because, for example, yttrium of atomic mass 89 is monoisotopic, and iridium has just two natural isotopes at masses 191 and 193. Nevertheless, the occurrence and variation in patterns of multi-isotopic elements often make their mass spectrometric identification easy, as depicted for the cases of dimethylmercury and dimethylplatinum in Figure 47.4. 

Thermodynamic and Mass-Transfer Considerations Multi-component vapor mixture includes several different cases all the components may be hquids at the lowest temperature reached in the condensing side, or there may be components which dissolve substantially in the condensate even though their boiling points are below the exit temperature, or one or more components may be both noncondensable and nearly insoluble. 

Constant overhead composition, vaiying reflux. If it is desired to maintain a constant overhead composition in the case of a binaiy, the amount of reflux returned to the column must be constantly increased throughout the run. As time proceeds, the pot is gradually depleted of the hghter component. Finally, a point is reached at which the reflux ratio has attained a veiy high value. The receivers are then changed, the reflux is reduced, and an intermediate cut is taken as before. This technique can also be extended to a multi-component mixture. 

There are two main approaches to its solution. Traditional approach is based on preliminary separation of UGC samples to gaseous and liquid phases and their subsequent analyses [1]. This approach is well-developed and it allows obtaining quite precise results being used properly. However, this method is relatively complicated. Multi-stage procedure is a source of potential errors, then, it makes the analyses quite time consuming. More progressive approach is based on the direct analysis of the pressurized UGC samples. In both cases the determination of heavy hydrocarbons (up to C ) is made by capillary gas chromatography. 

The influence of skin effects in a multi-core cable is almost the same as that of a multiphase busbar system, discussed in Sections 28.7 and 28.8. However, unlike a busbar system, the resistance and inductive reactance for various sizes of cables can be easily measured and are provided by leading manufacturers as standard practice in their technical data sheets. To this extent, making an assessment of skin effects in cables is easy compared to a busbar system. Since all the phases in a cable, of a 3-core or 3 72-core are in a regularly twisted formation throughout the length of the cable, they represent the case of an ideal phase transposition (Section 28.8.4(3)) and almost nullify the effect of proximity. 

A number of alternative multi-step procedures for the synthesis of a-tert-alkyl ketones are known, none of which possess wide generality. A previous synthesis of 2-tert-penty1cyclopentanone involved reaction of N-1-cyclopentenylpyrrol 1 dine with 3-chloro-3-methy1-l-butyne and reduction of the resulting acetylene (overall yield 46 ). However, all other enamines tested afford much lower yields. Cuprate addition to unsaturated ketones may be useful in certain cases. Other indirect methods have been briefly reviewed. ... 

Finally, the fundamental unit of concentration obtained by RBS is in atoms/cm or concentration in the sample-versus-bachscattering energy loss. To convert the profile of a backscattering peak into a depth profile it is necessary to assume a density for the material being profiled. For single-element films, such as Si, Ti, and W, an elemental density can be assumed for the film and an accurate thickness is obtained. In the case of multi-elemental films with an unknown density, a density for the film is calculated by summing the density of each element, normalized to its concentration. The accuracy of this assumption is usually within 25%, but for some cases the actual density of the film may vary by as much as 50%— 100% from the assumed density. It is useful to note that ... 

There is also growing interest in multi-phase systems in which hard phase materials are dispersed in softer polyether diols. Such hard phase materials include polyureas, rigid polyurethanes and urea melamine formaldehyde condensates. Some of these materials yield high-resilience foams with load deflection characteristics claimed to be more satisfactory for cushioning as well as in some cases improving heat resistance and flame retardancy. 

Early transport measurements on individual multi-wall nanotubes [187] were carried out on nanotubes with too large an outer diameter to be sensitive to ID quantum effects. Furthermore, contributions from the inner constituent shells which may not make electrical contact with the current source complicate the interpretation of the transport results, and in some cases the measurements were not made at low enough temperatures to be sensitive to 1D effects. Early transport measurements on multiple ropes (arrays) of single-wall armchair carbon nanotubes [188], addressed general issues such as the temperature dependence of the resistivity of nanotube bundles, each containing many single-wall nanotubes with a distribution of diameters d/ and chiral angles 6. Their results confirmed the theoretical prediction that many of the individual nanotubes are metallic. 

Where there are multi-layers of solvent, the most polar is the solvent that interacts directly with the silica surface and, consequently, constitutes part of the first layer the second solvent covering the remainder of the surface. Depending on the concentration of the polar solvent, the next layer may be a second layer of the same polar solvent as in the case of ethyl acetate. If, however, the quantity of polar solvent is limited, then the second layer might consist of the less polar component of the solvent mixture. If the mobile phase consists of a ternary mixture of solvents, then the nature of the surface and the solute interactions with the surface can become very complex indeed. In general, the stronger the forces between the solute and the stationary phase itself, the more likely it is to interact by displacement even to the extent of displacing both layers of solvent (one of the alternative processes that is not depicted in Figure 11). Solutes that exhibit weaker forces with the stationary phase are more likely to interact with the surface by sorption. 

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