Anomaly linear

In order to parameterize a QSAR equation, a quantihed activity for a set of compounds must be known. These are called lead compounds, at least in the pharmaceutical industry. Typically, test results are available for only a small number of compounds. Because of this, it can be difficult to choose a number of descriptors that will give useful results without htting to anomalies in the test set. Three to hve lead compounds per descriptor in the QSAR equation are normally considered an adequate number. If two descriptors are nearly col-linear with one another, then one should be omitted even though it may have a large correlation coefficient. 

Kinetic studies using 1,9-decadiene and 1,5-hexadiene in comparison widi catalyst 14 and catalyst 12 demonstrate an order-of-magnitude difference in their rates of polymerization, widi 14 being the faster of the two.12 Furdier, this study shows diat different products are produced when die two catalysts are reacted widi 1,5-hexadiene. Catalyst 14 generates principally lineal" polymer with the small amount of cyclics normally observed in step condensation chemistry, while 12 produces only small amounts of linear oligomers widi die major product being cyclics such as 1,5-cyclooctadiene.12 Catalyst 12, a late transition metal benzylidene (carbene), has vastly different steric and electronic factors compared to catalyst 14, an early transition metal alkylidene. Since die results were observed after extended reaction time periods and no catalyst quenching or kinetic product isolation was performed, this anomaly is attributed to mechanistic differences between diese two catalysts under identical reaction conditions. 

Saue and Jensen used linear response theory within the random phase approximation (RPA) at the Dirac level to obtain static and dynamic dipole polarizabilities for Cu2, Ag2 and Au2 [167]. The isotropic static dipole polarizability shows a similar anomaly compared with atomic gold, that is, Saue and Jensen obtained (nonrelativ-istic values in parentheses) 14.2 for Cu2 (15.1 A ), 17.3 A for Ag2 (20.5 A ), and 12.1 A for Au2 (20.2 A ). They also pointed out that relativistic and nonrelativistic dispersion curves do not resemble one another for Auz [167]. We briefly mention that Au2 is metastable at 5 eV with respect to 2 Au with a barrier to dissociation of 0.3 eV [168, 169]. 

Let us examine the data of the third measurement on the metallized wafer. There are two contributions to the heat capacity, a linear contribution and a spurious one. The spurious contribution may be interpreted as the high temperature side of a Schottky anomaly. In this hypothesis, the heat capacity per unit volume of the metallized wafer may be... 

A typical time profile of the excited PMMA-Phe fluorescence intensity decay is shown in Figure 2. The MEK permeation commences at 24 sec. The SPR increases during the plasticization period until it becomes constant, the onset of the steady state. It is characterized by a linear relationship between the amount of solvent absorbed and time. It was determined from a linear regression analysis that the PMMA-Phe fluorescence intensity starts to deviate from linearity at 197 sec. This indicates a decrease in the SPR and/or the unquenched PMMA-Phe. The decrease in SPR is unexpected at this film thickness since the SPR in thicker PMMA-Phe films show no anomaly at 1 /tm. A more plausible explanation is the reduction in available PMMA-Phe, which is expected when the front end of the SCP reaches the substrate. 

For the following text, isotopic anomalies always stands for non-linear or non-mass dependent variations linear or mass dependent have the same meaning although mass dependent fractionation may not be strictly linear (Rayleigh). Usually, in the first approach the difference is not essential for description... 

The excess was first suggested to have a nuclear origin in stars. Almost pure O is produced in He-buming shells in massive stars, and in supemovae. On the other hand it has been shown that non-mass dependent fractionation can be produced in the laboratory by non-nuclear processes (Thiemens and Heidenreich 1983 Thiemens 1988). Similar non-linear effects have been found for O isotopes in atmospheric gases (Schueler et al. 1990 Thiemens et al. 1995). Although stellar nucleosynthesis is indeed at the origin of the O observed in the universe, the link between O isotopic anomalies in inclusions and nucleosynthesis is still under debate (Thiemens 1999 Clayton 2002). 

Titanium-calcium. The first evidence for isotopic anomalies in the iron-group was found in Ti showing up to 10% excesses of Ti in hibonites from the Murray CM2 meteorite (Hutcheon et al. 1983 Fahey et al. 1985 Ireland et al. 1985 Hinton et al. 1987). Further studies in Murchison showed that Ti extended from -7% to +27% associated with Ca variation from -6% to +10% (Ireland 1988 Ireland 1990). Except for the magnitude of the variations, this is similar to the results from Allende inclusions. Only a few samples display mass-dependent fractionation for which it ranges up to 1.3 %/amu. In the majority of the samples, it is absent or very low (less than 1 %o/amu) for Ca-Ti. There is no correlation between the presence of linear fractionation and the magnitude of Ti effects. Ti variations are also present, but about an order of magnitude smaller than Ti. Variations affecting these two isotopes are related but not strictly correlated (Ireland 1988). 

On the assumption that all the reported aldehyde first ionization potentials refer to the oxygen lone-pair electrons Cook (1958) has classified the effect of substituents into two classes, A and B, according to whether inductive or resonance effects predominate. Two different linear correlations (Fig. 14) were found between ionization potential and the carbonyl stretching frequency. Anomalies were noted for diacetyl, benzaldehyde and mesityl oxide, ascribed in the last instance to noncoplanarity interfering with resonance. It seems more likely, however, that in these cases the first ionization potential refers to 7r-electrons and higher values for the lone-pair electrons (as yet undetermined) might remove the anomalies. 

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