Rendering practices

Table 13.3 Characterizing of tumour-associated antigens. Antigens commonly expressed by a number of different tumour types render practical application of tumour immunodetection/immunotherapy in those cases...

Because different people have slightly different opinions of what constitutes computational chemistry, it is useful to define its scope. Most published definitions embrace an overlapping set of ideas. Computational chemistry has been described as consisting of those aspects of chemical research that are expedited or rendered practical by computers (5). However, that scope is so broad that it would include most molecular science laboratories where modern instruments are built with programmed or programmable computers to collect and mathematically manipulate data. Such a definition is beyond the scope of this chapter. 

This lactonization was later extended to indole derivatives [123], and the influence of different groups on sulfur on the process was explored within an application to the total synthesis of the alkaloid physostigmine [124] (Scheme 14). Thus methyl indolyl sulfoxides rendered practically racemic... 

The reaction is freely reversible, but it is rendered practically irreversible by hydrolysis of pyrophosphate (PPi) through the action of pyrophosphatase. 

In making the selections for Table 1, we used the broad w orking definitions of computational chemistry given elsewhere.The quantitative modeling of chemical phenomena by computer-implemented techniques is how we view the scope of the field, so it includes practically all aspects of chemical research that are expedited or rendered practical by computers. The scope of computational chemistry is thus set very wide. 

The second case is when tubes to be joined are of unequal bore, as in a pipette hence this may be called a pipette joint. The right end of the wider tube is drawn down to form a thick-walled short cone, and cut squarely off at a place where the thickness of wall and bore equal that, of the smaller tube to be joined on to it. If the line of joint is arranged to lie exactly at the angle where the two tubes meet, the joint is rendered practically... 

D. B. Boyd, in Reviews in Computational Chemistry, Vol. 1, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, p. 321. Aspects of Molecular Modeling. Computational chemistry consists of those aspects of chemical research that are expedited or rendered practical by computers. See K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, Vol. 1, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, p. ix. A basically identical definition was recently discussed by J. Weber, H. Huber, and H. P. Weber, Chimia, 46, 84 (1992). What is Computational Chemistry A Tentative Answer. 

The bromate method, however, has been found to be admirably suited for laboratory-scale operations but not for large quantities because of the expense. It presents three very definite advantages over the other methods first, no extraneous materials are introduced into the precipitate second, the solution is rendered practically free from cerium in a minimum of operations and, third, the basic cerium-(IV) nitrate so obtained is practically free from other rare earths. Little or no reworking of the precipitate is necessary in order to obtain a cerium compound of high purity, and only very small amounts of the other rare earths are carried out of the solution. 

Very trace amount of water or nearly anhydrous state renders practically no enzymatic reaction. In this context, it should be reminded that commercially available enzyme preparations, or the enzymes even after lyophilization or other drying procedures, contain some water bound to the enzyme proteins. Whereas, excess water in the reaction system results in hydrolysis of the substrate, which is often unfavorable side reaction, giving rise to lower yield of product. Thus, there exist usually the optimal water content for each enzymatic reaction of concern. 

The interference of water absorption is eliminated when the physicochemical and dynamic approaches are used for measuring the spectra, since a water response to a perturbation differs from that of a protein (vide supra). As an alternative, the spectrum can be rendered practically free from background absorption with a polarization modulation technique. To illustrate. Fig. 7.54 shows the spectrum from PM-IRRAS of an acetylcholinesterase (AChE) (enzyme) monolayer at the air-water interface at different surface pressures [838]. The spectra were... 

Spalling of the surface layers of concrete in reinforced members may occur as a result of reinforcement corrosion (Fig. 6.1), the effects of fire or due to impact. Where the spalling is local and the cover is more than 25-30 mm, conventional sand-cement mortars based on high quality sands and applied using good rendering practice may be used. However, great care in surface preparation is necessary to ensure adequate adhesion. 

The proton is the most popular nucleus for peptide studies, mainly because of its high detection sensitivity, common occurrence, and high natural abundance. The other nuclei occurring in peptides can provide information complementary to that obtained from protons technological advances have now rendered practical the study of these less sensitive nuclei in peptides. The properties of some nuclei useful for studies of peptides are presented in Table II. 

The computational requirements for calculating the electronic properties of large molecular systems from first principles equations are demanding and can become sometimes counter productive, particularly when the impractical first-principle steps of the calculation constitute an input for the overall computation. Semiempirical methods are built in with information of the atomic building blocks and, therefore, can render practical the ultimate goal of simulating coherent quantum dynamics processes in large scale molecular systems. 

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