Similarity comparison

If the relative order of two ligands cannot thus be decided, it is determined by a similar comparison of atomic numbers of the next atoms in the ligands, or, if... 

Table 5.2 shows that the partition coefficients of 5.2 over SDS or CTAB micelles and water are similar. Comparison of the rate constants in the micellar pseudophase calculated using the... 

Similar comparisons were also made of the various UV spectra in aqueous buffer <51JCS1004, 53JCS331,55JCS211) with exactly similar conclusions the p/iTa values for pyrimidin-... 

It should be mentioned that a similar comparison of the dissociation constant values of uracil monoalkyl derivatives does not permit the determination of the sequence of dissociation on account of the small differences between the pEo values. However, the pH dependence of the XJV spectra showed that the first dissociation of uracil occurs at the NH group in position 1 and thus differently than in 6-azauracil. This, together with different acidity, represents the main differences between the properties of uracil and its 6-aza analogs. 

The predominance of the amino structure has been demonstrated for 176 (R = Ph, CIl2Ph) by ultraviolet spectral comparisons with both types of alkylated derivatives.Similarly, comparison of the ultraviolet spectra of 2-ainino-5-chlorobenzoxazole (177) and its... 

It is notable that flavone and its derivatives are substituted predominantly in the phenyl group at positions 3 and 4 whereas reaction with Fenton s reagent gives mainly the S-hydroxy isomer." " Similarly, comparison of the distribution of products from coumarin obtained with Udenfriend s system with that given by Fenton s reagent re-... 

Sorptometei measurements ran higher in 8 of the 12 lots of A1 tested, apparently reflecting the area measurements of the pores, cracks and capillaries of the material and irregular shapes Similar comparisons obtained with samples of Ammonium Perchlorate are summarized in Table 13... 

Figure 3.2 compares a series of reversible isothermal expansions for the ideal gas starting at different initial conditions. Note that the isotherms are parallel. They cannot intersect since this would give the gas the same pressure and volume at two different temperatures. Figure 3.3 shows a similar comparison for a series of reversible adiabatic expansions. Like the isotherms, the adiabats cannot intersect. To do so would violate the Caratheodory principle and the Second Law of Thermodynamics, since the gas would have two different entropies at the same temperature, pressure, and volume. 

Comparison and agreement with the calorimetric value verifies the assumption that So = 0. For example, we showed earlier that the entropy of ideal N2 gas at the normal boiling point as calculated by the Third Law procedure had a value of 152.8 0.4 J-K mol. The statistical calculation gives a value of 152.37 J K -mol-1, which is in agreement within experimental error. For PH3, the Third Law and statistical values at p 101.33 kPa and T— 185.41 K are 194.1 0.4 J K, mol 1 and 194.10 J-K 1-mol 1 respectively, an agreement that is fortuitously close. Similar comparisons have been made for a large number of compounds and agreement between the calorimetric (Third Law) and statistical value is obtained, all of which is verification of the Third Law. For example, Table 4.1 shows these comparisons for a number of substances. 

In Table VII radius sums from Table VI are compared with observed distances from band spectral data. Agreement to within 0.01 or 0.02 A is usually found in the exceptional case H2C0 the experimental value is not very accurate. In Table VIII a similar comparison is made with observed distances in crystals. These distances depend in all cases on... 

The mean of the values given for the C=C distance by the four principal maxima is 1.339 A. A similar comparison for the four principal maxima with curve B gives 1.346 A, Considering also the radial distribution value 1.34 A., we accept for the C=C doublebond distance in allene the value 1.34 = = 0.02 A. the C-H distance was assumed to be within 0.04 A. of 1.06 A. and the H-C-H bond angle close to 109°28, their independent evaluation being impossible because of the small contribution of the C-H terms to the diffraction pattern. 

In contrast, a similar comparison made with data from two domestic goats collected in the Turkana region does not produce as close a fit (see Fig. 6.8, data... 

II), and its formation therefore is more probable. If the substituent X possesses unsaturation conjugated with the free radical carbon, as for example when X is phenyl, resonance stabilization may be fairly large. The addition product (I) in this case is a substituted benzyl radical. Comparison of the C—I bond strengths in methyl iodide and in benzyl iodide, and a similar comparison of the C—H bond strengths in methane and toluene, indicate that a benzyl radical of type (I) is favored by resonance stabilization in the amount of 20 to 25 kcal. 

Similarity Comparison of molecules using molecular descriptors and a measure of similarity, for example a 2D fingerprint and the Tanimoto coefficient... 

A comparison of the advantages and the disadvantages of membrane cells and of mercury cells is given in Table 6.21. A similar comparison between membrane cells and diaphragm cells is given in Table 6.22. 

Applications Caceres et al. [114] compared various methods for extraction of Tinuvin 770 and Chimas-sorb 944 from HDPE pellets, namely room temperature diffusion in CHC13 (20 % extraction), ultrasonica-tion (20% extraction), Soxtec extraction with DCM (nonsolvent) (50 % extraction), dissolution (dichloroben-zene)/precipitation (2-propanol) (65-70% recovery) and boiling under reflux with toluene (solvent) at 160 °C (95 % extraction). By changing conditions (nature of solvent, T, t) similar comparisons do not have much added value. Table 3.6 compares the results of reflux extraction and MAE for additives in LDPE [115]. 

These data lead to the conclusion that, contrary to the hypothesis of Martin and Wain, there is no statistically significant relationship between dehydrochlorination rate and insecticidal activity in DDT analogs, at least as regards activity against A. quadri-maculatus larvae. Similar comparisons of insecticidal data against adult houseflies (11,12),... 

While the above comparison (or similar comparisons for other oxidants) of the amount of oxidant required for different oxidants may hold under controlled laboratory conditions, the actual amount and type of oxidant that is necessary for the treatment of MTBE or other oxygenates at a given site will depend on numerous factors beyond the amount of contaminant present including... 

Figure 3.50a displays the comparison between measurement and prediction for the pure fluids, and Figure 3.506 shows a similar comparison for the mixtures. While some increased scatter occurs, the method predicts within its intended accuracy. 

A similar comparison can be made with cis-poly(isoprene), natural rubber, by taking advantage of the fact that the polymer is very slow to crystallize [164], Consequently, the comparison can be made between the supercooled, noncrystalline polymers at 0°C and the semi-crystalline polymer (31% crystalline) at the same temperature. The Tlc values for each of the five carbons involved were again found to be the same for the completely disordered polymer and the semicrystalline one, so that a similar conclusion can be made with regard to their chain structure. 

Comparisons for the full solid cylinders, with and without heat sinks, were made in Nijemeisland et al. (2004) for conditions near the inlet of the reactor tube. These showed that temperature profiles changed drastically when heat sinks were included. In Figs. 33 and 34, we show a similar comparison for conditions typical of the middle of the reactor tube. We compare the planes at the midpoint of the third stage, for the cases where the outer 5% of the particle was active and where the entire particle was inactive. These are shown in Fig. 33. 

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