Purpose of study

For the purposes of studying the rotational spectra of molecules it is essential to classify them according to their principal moments of inertia. 

Finally, in this Introduction, it is worthwhile to reproduce one of the several current definitions, in the Oxford English Dictionary, of the word simulate To imitate the conditions or behaviour of (a situation or process) by means of a model, especially for the purpose of study or training specifically, to produce a computer model of (a process) . The Dictionary quotes this early (1958) passage from a text on high-speed data processing A computer can simulate a warehouse, a factory, an oil refinery, or a river system, and if due regard is paid to detail the imitation can be very exact . Clearly, in 1958 the scientific uses of computer simulation were not yet thought worthy of mention, or perhaps the authors did not know about them. 

Systematic studies have been carried out for the purpose of studying how low-frequency tones, broad-band components, and/or time fluctuations in ventilation noise interfere w ith disturbance reactions, In one of these studies, the respondents were exposed to ventilation noise that is representative of the noise encountered in office premises. The respondents were asked to use a rotating potentiometer to set the most acceptable noise level and the least acceptable noise level for each noise, taking account of comfort, disturbance, and performance, w hile performing their work at the same time. The noise level was maintained at a constant level of 40 d.B(A). 

Appraisal wells, drilled at the exploration stage within structures or other traps with an observed oil and gas content for the purpose of studying the geological structure of the deposit and the quality of the mineral to the extent necessary to permit confirmation of oil and natural gas reserves in categories which will serve as a basis for investment decisions, as well as obtaining data required for developing and exploiting the deposit. 

The potential of these transformations has not been fully exploited. The method is certainly valuable both for the purpose of studying the structure of furan polymers which might be of interest but cannot be prepared easily by conventional techniques and for preparing polymers in which a certain proportion of the hydroxyl groups of poly(vinylalcohol) are substituted with a furan moiety which gives the new product some special property. 

Photolytic methods are used to generate atoms, radicals, or other highly reactive molecules and ions for the purpose of studying their chemical reactivity. Along with pulse radiolysis, described in the next section, laser flash photolysis is capable of generating electronically excited molecules in an instant, although there are of course a few chemical reactions that do so at ordinary rates. To illustrate but a fraction of the capabilities, consider the following photochemical processes ... 

We now describe a relatively simple MD model of a low-index crystal surface, which was conceived for the purpose of studying the rate of mass transport (8). The effect of temperature on surface transport involves several competing processes. A rough surface structure complicates the trajectories somewhat, and the diffusion of clusters of atoms must be considered. In order to simplify the model as much as possible, but retain the essential dynamics of the mobile atoms, we will consider a model in which the atoms move on a "substrate" represented by an analytic potential energy function that is adjusted to match that of a surface of a (100) face-centered cubic crystal composed of atoms interacting with a Lennard-Jones... 

The absorption of the ether bis(2-fluoroethoxy)methane from the soil and its translocation in plants in a concentration sufficient to kill insects is a recent discovery heretofore observed only in some selenium compounds and in the insecticidal esters of some polyphosphoric acids (4) Whether this property is shared by other organofluorine compounds will doubtless be determined for the purpose of studying plant metabolism and of evaluating any practical application. 

For purposes of studying of the possible mechanisms of electrochemical corrosion we have compared first of all the capacity loss for graphite electrodes with the loss of their mass during prolonged galvanostatic cycling (Table 2). 

Measuring whole cells, or perhaps purified organelles from whole eukaryotic cells, for example, mitochondria, goes back to the very first days of bioEPR spectroscopy (Beinert and Lee 1961) and has since then over and over again proven to be useful for the particular purpose of studying respiratory chains, that is, the set of redox enzymes that form the heart of the bioenergetic machinery and that, for this... 

The flash photolysis of HI has been investigated by Donovan and Husain17 but with the purpose of studying energy transfer in the decay of 2P iodine atoms to their ground state. An additional process which they observed was... 

It should be noted that these ranges might be wider if the number of individual animals were larger. It is interesting that venous tissue showed no ATPase activity. It may be pointed out that for the purpose of studying variability, dogs which are available for laboratory study are more suitable than inbred rats because, like humans, they usually have a mixed ancestry. 

The purpose of studying this simplified ease first is to reduce the problem to its most elementary form so that the basie structure of the equations can be clearly seen. In the next example, a more realistic system will be modeled. 

When these simple models fail to deliver a satisfactory description of the adsorp-hon problem, then the investigator is faced with the need to produce a detailed numerical solution to the adsorphon problem. Today there are a variety of adsorption simulation tools that can be employed for the purpose of studying adsorptive separations. 

Cyclic compounds in which one or more of the ring atoms is not carbon are termed heterocycles the noncarbon atoms are referred to as heteroatoms. We shall limit our discussions to compounds in which the heteroatoms are nitrogen, oxygen, or sulfur. For the purposes of studying and understanding their properties, heterocycles are conveniently grouped into two classes, i.e. non-aromatic and aromatic. 

Suppose we measure the sloppy input and output tracer curves for a process vessel for the purpose of studying the flow through the vessel, thus to find the E curve for the vessel. In general this requires deconvolution (see Chapter 11) however, if we have a flow model in mind whose parameter has a one-to-one relationship with its variance, then we can use a very simple shortcut to find the E curve for the vessel. 

Drugs can be administered after the registration phase with the purpose of studying their action on encoding processes. Trials of this type in humans are difficult to interpret, mainly because encoding processes of various types and levels may last for seconds, minutes or hours, whereas the time at... 

The Guggenheim Aeronautical Laboratory was started in the same year at the California Institute of Technology for the purpose of studying design fundamentals of solid and liq propulsion systems. A year later, Malina (Ref 4) published a paper on the characteristics of LP motors... 

This report was prepared for the Deputy Assistant to the Secretary of Defense for Chemical and Biological Defense. The purpose of study was to address organizational, educational, and training issues for... 

Air pollution is a problem at a local as well as a global level. For purposes of studying, it is useful to catagorize air pollution according to the levels at which it appeal s ... 

There is, however, one obvious difference between a mathematical model and a physical model (or the real system itself). The response of the former to the same set of conditions is always identical. In physical experiments, where results are measured rather than calculated, there are inevitably random errors which may be appreciable. As already pointed out, mathematical models are usually to some extent imperfect in other words, they do contain systematic errors. The important point is that these imperfections are always reproduced in the same way, even though their ultimate source may have been random errors in data on which the model was based. This point has been stressed because it is important to recognize that only partial use of methods from statistical treatments of design of experiments is involved in what follows. The use of these methods here is only for the purpose of studying the geometry of response with respect to the controllable variables. No consideration of probability or of error enters into the discussion. 

The Nuclear Fuel Safety Project (Karnbranslesakerhet, KBS) was started in December 1976 with the purpose of studying all important aspects of waste disposal in Sweden. Two different alternatives for final storage of HLW and SUF, respectively, have so far been suggested and studied in detail by KBS Q). Some data for these two concepts are given in Table I and in Figure 1. 

In making rotaxanes usable as parts of molecular devices and with the purpose of studying long range election transfer processes within large molecular systems of well controlled geometries, the introduction of photoactive and electroactive compounds has been a valuable development. Photoinduced electron transfer between porphyrin species has a particular relevance to the primary events occurring in bacterial photosynthetic reaction center complexes, and so is a well studied phenomenon. 

In thermodynamics, a system is that part of the Universe that is selected for purposes of study the remainder is called the surroundings or environment (Fig. 2.1). The choice of what constitutes a system is always arbitrary but the choice can greatly simplify application of thermodynamic principles. 

For the purpose of studying the effect of the inorganic matrix origin on iron protoporphyrin biomimic activity in methane oxidation to methanol the above-mentioned carriers of the acidic-basic type were used. According to data in Tables 7.4 and 7.5, mimics derived from them simultaneously simulate catalase reaction and monooxygenase function of cytochrome P-450. 

Similarly, for the purpose of studying silyl radicals in the gas phase in the presence of a spin trap, it has been established that the trimethylsilyl radical added to the double bond of a nitrone to yield the a-trimethylsilylated hydroxylamine.204 Other studies have been... 

Reaction Parameter Studies. Experiments were carried out with conventional shale oil [direct retorted Paraho shale oil) for the purpose of studying the effects of reaction parameters in hydrotreating under supercritical conditions. In one group of experiments, the space velocity was varied (1.6, 3.2, and 5)... 

Chemical/biological moiety conjugated to Wild type (wt) and/or Purpose of study Reference... 

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