Comments on the Data

Instead of giving a compilation of the group-frequencies characteristic of carbohydrates, which has already been done for i.r. results,16,17,32 we intend to comment on the data for each of the characteristic regions of the spectrum. Although i.r. spectroscopy has been extensively applied in car-... 

Booksh, K.S. and Kowalski, B.R., Comments on the DATa ANalysis (DATAN) algorithm and rank annihilation factor analysis for the analysis of correlated spectral data, J. Chemom., 8, 287-292, 1994. 

The opinions issued by SCHER are basically scientific peer reviews, similar to a longer referee report for a piece submitted to a scientific journal. Just like any peer reviewer would do, SCHER comments on the data used in risk assessments, especially on the lack or reliability of data as well as on methods, approaches and interpretations. Uncertainty of exposure and effects and factors conditioning uncertainty are discussed, often resulting in statements such as firm conclusions cannot be reached . 

Fischer and Duisberg also discussed the salaries of chemists working as assistants at universities and those of employees in industry. Duisberg made up a table of the average yearly incomes of chemists at the Farbenfabriken Bayer. Salary level mostly depended on years of service. Salaries started in the first five years at 5,800 Marks and increased after 20 years to 16,000 Marks. The salaries of assistants and assistant professors in Fischer s institute and other institutes of natural science at the university started at about 3,000 Marks and increased to about 10,000 Marks. Only full professors had an income of 11,000 to 18,000 Marks. Fischer s comment on the data was that "I am satisfied that the career of chemists (in industry) is not as bad as often stated." ... 

Some comments on the data are needed. Balance experiments show (Munro, 1972) that the average man of this size can be maintained in nitrogen equilibrium on an intake of 32 gm of high quality dietary protein. However, the customary protein intake in Western countries is about 90 gm daily. This is augmented by addition of some 70 gm of protein secreted into the gastro-intestinal tract (Table 1), so that the total load for adsorption is about 150 gm. Although this is a large amount, the pools of free amino acids in... 

From the concentration data available, three indicator types (seafood, seaweed, and sediment) were chosen to investigate radionuclide trends around the coastline of Northern Ireland. Some measurements of radionuclide concentrations previously reported in RIFE were at or below the analytical limits of detection. Therefore (where possible), inclusion of radionuclides and species and comments on the data collated here have focused on using positively detected values for which most data are available. Further description of the 3 indicator types are given in Table 1, together with a list of the determinand radionuclides for which data have been analysed and annually reported over the last two decades. The locations of the selected sampling sites are shown in Figure 2. 

As we will see further in this chapter, knowing the structure of the data plays a fundamental role when applying any multiway technique. For illustrating this, we will comment on the data collected from the two most popular instrumentations used in food sciences nowadays that are able to produce multiway data Excitation-emission fluorescence spectroscopy (EEM) and hyphenated chromatographic systems (i.e. gas chromatography connected to mass spectrometry—GC-MS). The benefit and drawbacks of both techniques in the framework of food analysis will be discussed in successive chapters. Here we will just focus on the stmcture of the three-way array. Figure 1 shows the final three-way structure that is obtained when several samples are analysed by both EEM and hyphenated chromatography. However, the inner structure of this tensor varies due to the different nature of the measurement... 

Using Eqs. VI-30-VI-32 and data from the General References or handbooks, plot the retarded Hamaker constant for quartz interacting through water and through n-decane. Comment on the relative importance of the zero frequency contribution and that from the vuv peak. 

Referring to Fig. XVII-17, use handbook data to calculate the vapor pressure of O2 ordinary liquid at the melting point of the 6 phase. Comment on the result. Locate the 2D S-L-V triple point. 

Use the data of Problem XVII-11 to obtain an MP plot, as in Fig. XVII-30. Comment on the result. 

Schwartz has published some hypothetical data for the titration of a 1.02 X ICr" M solution of a monoprotic weak acid (pXa = 8.16) with 1.004 X ICr M NaOH. " A 50-mL pipet is used to transfer a portion of the weak acid solution to the titration vessel. Calibration of the pipet, however, shows that it delivers a volume of only 49.94 ml. Prepare normal, first-derivative, second-derivative, and Gran plot titration curves for these data, and determine the equivalence point for each. How do these equivalence points compare with the expected equivalence point Comment on the utility of each titration curve for the analysis of very dilute solutions of very weak acids. 

What power dependence on M does r display according to these results Comment on the significance of the 3.4-power law according to these data and the results of the last problem. 

Plot E versus log t for both of these sets of data on the same graph. Now suppose that the units of the 45°C experiment are minutes instead of seconds (this is not the case, but we can pretend that it is). On the basis of this imaginary condition, each of the times at 45°C should be multiplied by the factor 60 sec/min to make the comparison with the 25°C data. Apply this correction to the 45°C data and plot on the original graph. Be sure to select a scale of the original graph so that corrected data can be accommodated also, label various portions clearly. Briefly comment on the results of this manipulation. 

Use these data to evaluate Tg, assuming that the latter is a true second-order transition. Compare your results with the values in Table 4.4 and comment on the agreement or lack thereof. 

Step 1 of the parametrization process is the selection of the appropriate model compounds. In the case of small molecules, such as compounds of pharmaceutical interest, the model compound may be the desired molecule itself. In other cases it is desirable to select several small model compounds that can then be connected to create the final, desired molecule. Model compounds should be selected for which adequate experimental data exist, as listed in Table 1. Since in almost all cases QM data can be substimted when experimental data are absent (see comments on the use of QM data, above), the model compounds should be of a size that is accessible to QM calculations using a level of theory no lower than HE/6-31G. This ensures that geometries, vibrational spectra, conformational energetics, and model compound-water interaction energies can all be performed at a level of theory such that the data obtained are of high enough quality to accurately replace and... 

Calculate AS° for ionization of each compound. Comment on the contribution of AH° and AS° to the free energy of ionization. Test the data for linear fiee-energy correlations. Are the linear free-energy correlations dominated by entropy or enthalpy terms ... 

The following data give the dissociation constants for several acids that catalyze hydration of acetaldehyde. Also given are the rate constants for the hydration reaction catalyzed by each acid. Treat the data according to the Bronsted equation, and comment on the mechanistic significance of the result. 

Compare the energy absorption capabilities of composites produced using carbon fibres, aramid fibres and glass fibres. Comment on the meaning of the answer. The data in Fig. 3.2 may be used. 

Comments—text field of 100 characters allowing notes on the data or the data resource. 

Both of the studies involving glycoproteins have employed Q-ToF mass spectrometers and both sets of anthors comment on the sensitivity of this type of instrument, allowing nsefnl data to be obtained from the limited amonnts of sample usually available from natural sources. 

Madden, H. H., Comments on the Savitzky-Golay Convolution Method for Least-Squares Fit Smoothing and Differentiation of Digital Data, Anal. Chem. 50, 1978, 1383-1386. 

Several comments on these data were presented earlier (Section II). One might make two further observations here. First, there is a general trend to higher 1/2 values which is seen with progressive replacement of isocyanides by carbonyls. This means that these species are progressively less easy to oxidize. Second, a further oxidation for the complexes with 0, 1, and 2 carbonyls is observed. This oxidation was believed to be associated with the process MnLj + -> MnLj +. 

Claude Debru My point is not a comment on reductionism, but a comment on the movement of the planets. We know since Poincare that the movement of the planets is chaotic, which means that it would be predictable if we would have the knowledge of the initial conditions of the system. But in the ignorance of this data of the initial conditions, it remains unpredictable. So I think this qualifies some ideas, perhaps. I don t know how it fits into the framework about reductionism - because you mentioned the movement of the planets. 

Comments on Calculated Data. In several studies (13,18,19), G ax has been found to equal, or possibly be somewhat less than, the plateau modulus, G j, of a high molecular weight polymer whose chemical composition is the same as that of the network chains. Although G j for amorphous PPO has not been reported, it can be estimated from Zc, the number of chain atoms per molecule above which the viscosity increases approximately with the 3.4 power of Z. This quantity has been reported (25,26) to be about 400. As the chain atoms between entanglements is commonly about Zc/2, it follows that the molecular weight between entanglement loci is about 3900, and thus G j [ = (p/Me)RT] is about 0.65 MPa at 30°C. 

Nevertheless, we were able to develop a transient absorption apparatus involving IR probe radiation that is suitable for gas phase studies, as have a number of other groups either coincident with or subsequent to our work [1]. In the remainder of this article we will discuss the apparatus and the results of our studies on three prototypical metal carbonyl species Fe(C0>5, Cr(C0>5 and Mn2(CO)] o The discussion in this article will center on the nature of the photolytically generated coordinatively unsaturated species, their kinetic behavior and photophysical information regarding these species. This latter information has enabled us to comment on the mechanism for photodissociation in these systems. Since most of the results that will be discussed have been presented elsewhere [3-10], we will concentrate on a presentation of data that illustrates the most important features that have come out of our research and directly related research regarding the kinetics, photophysics and photochemistry of coordinatively unsaturated metal carbonyls. 

There has been mixed or inconclusive evidence for time variations in the gradient from open cluster data. Most studies that comment on the question ([5,10,6,11]) have shown slight evolution from steeper gradients in the past to more shallow ones, though the effect is at the level of only a few sigma. However,... 

The report of the first zinc compound with a Zn-Zn core elicited a number of critical comments on the structure and bonding of decamethyldizincocene, and the interpretation of the results.236,237 None of the authors of these commentaries questioned the data or their interpretation. Parkin, however, has pointed out that the formal oxidation state of +1 for zinc in this compound is merely due to the convention that metals are assigned an oxidation state of 0 when they form bonds with like atoms.237 If the conventional definition of valence, namely the capacity of atoms to form bonds to other atoms is used, then the zinc atoms in decamethyldizincocene are not monovalent, but divalent. The synthesis of a paramagnetic organozinc compound in which zinc uses only one of its two 4s electrons will remain an interesting challenge to many synthetic organometallic chemists. 

Test these data to determine whether an isokinetic relationship exists and comment on the results. 

If the component analysed represents 20 per cent of the mixture by mass and each of the samples removed contains approximately 100 particles, comment on the quality of the mixture produced and present the data in graphical form showing the variation of mixing index with time. 

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