Applications of laser Raman microprobe spectroscopy to the characterization of coals and cokes

Optical microscopy is widely used in the characterization of coals and cokes. This Paper shows that the laser Raman microprobe (MOLE) which combines an optical microscope and a Raman spectrometer can provide useful additional information. Three main areas were investigated: identification of minerals in coal and coke; structural characterization of coals and cokes; and the interaction of inorganic additives and coal. Where possible, the results were compared with conventional optical microscopy measurements whereby it was shown that the optical texture and Raman spectra of cokes are not closely related. The Raman spectra of high temperature cokes were used to estimate the size of microcrystalline regions.     

Model for the effects of water on the cationic UV-curing of cyclohexyl epoxides

The effect of relative humidity on the photoin-duced curing kinetics of cyclohexyl epoxide and epoxide/polyol coating formulations was investigated in real-time using FTIR spectroscopy. In total, five formulations were used in this study, including a cyclohexyl epoxide without polyol, and four with polyols. The polyol formulations were varied with respect to ratio of epoxide to polyol, and molar functionality of the hydroxyl group. The formulations were exposed to a maximum of seven different relative humidities (6, 16, 20, 30, 51, 62, 75 RH). The curing speed and overall conversion of the epoxy group passed through a maxima for all the formulations. The polyol had an effect on the hydrophilicity of the overall formulation. It was also found that water and polyols had a synergistic effect on the UV-curing kinetics, in effect lowering the relative humidity to achieve a maxima. A model for UV-curing mechanisms at low, medium, and high relative humidity was proposed for both systems with and without the polyols. Part of this work was done at the Polymers and Coatings Dept., North Dakota State University, Fargo, ND 58105. Presented at the 80th Annual Meeting of the Federation of Societies for Coatings Technology, Oct. 30–Nov. 1, 2002, in New Orelans, LA. Dept. of Polymer Engineering, Akron, OH 44325-0301.     

Neutral sterols of sawflies (symphyta): Their relationship to other hymenoptera

To investigate sterol utilization in sawflies, the neutral sterols of four species of sawflies were determined by gas-liquid chromatography and mass spectrometry, and compared to the respective dietary plant material. Cholesterol was the predominant (55–76%) sterol in all species and stages of sawflies examined. Host plants, however, contained primarily sitosterol (50–88%), along with other 24-alkylsterols and only 0.5–5.9% cholesterol, indicating that the sawflies examined are capable of dealkylating the C₂₈ and C₂₉ phytosterols in their diet to cholesterol. Comparative sterol metabolism in Hymenoptera is discussed.     

Comparison of microwave and thermal cure of epoxy resins

Stoichiometric mixtures of DGEBA (diglycidyl ether of bisphenol A)/DDS (diaminodiphenyl sulfone) and DGEBA/mPDA (meta phenylene diamine) have been isothermally cured by electromagnetic radiation and conventional heating using thin film sample configurations. Fourier transform infrared spectroscopy (FTIR) was used to measure the extent of cure. Thermal mechanical analysis (TMA) was used to determine the glass transition temperatures directly from the cured thin film samples. Well-defined glass transitions were observed in the TMA thermograph for both thermal and microwave cured samples. Significant increases in the reaction rates have been observed in the microwave cured DGEBA/DDS samples. Only slight increases in the reaction rates have been observed in the microwave cured DGEBA/mPDA samples. Higher glass transition temperatures were obtained in microwave cured samples compared to those of thermally cured ones after gelation. The magnitude of increases of glass transition temperature is much larger for the DGEBA/DDS system than DGEBA/mPDA system. The microwave radiation effect was much more significant in DGEBA/DDS system than in DGEBA/mPDA system. DiBenedetto's model was used to fit the experimental T_g data of both thermal and microwave cured epoxy resins.     

Evaluating the 1931 CIE color‐matching functions

The use of colorimetry within industry has grown extensively in the last few decades. Central to many of today's instruments is the CIE system, established in 1931. Many have questioned the validity of the assumptions made by Wright¹ and Guild,² some suggesting that the 1931 color‐matching functions are not the best representation of the human visual system's cone responses. A computational analysis was performed using metameric data to evaluate the CIE 1931 color‐matching functions as compared to with other responsivity functions. The underlying assumption was that an optimal set of responsivity functions would yield minimal color‐difference error between pairs of visually matched metamers. The difference of average color differences found in the six chosen sets of responsivity functions was small. The CIE 1931 2° color‐matching functions on average yielded the largest color difference, 4.56 ΔE. The best performance came from the CIE 1964 10° color‐matching functions, which yielded an average color difference of 4.02 ΔE. An optimization was then performed to derive a new set of color‐matching functions that were visually matched using metameric pairs of spectral data. If all pairs were to be optimized to globally minimize the average color difference, it is expected that this would produce an optimal set of responsivity functions. The optimum solution was to use a weighted combination of each set of responsivity functions. The optimized set, called the Shaw and Fairchild responsivity functions, was able to reduce the average color difference to 3.92 ΔE. In the final part of this study a computer‐based simulation of the color differences between the sets of responsivity functions was built. This simulation allowed a user to load a spectral radiance or a spectral reflectance data file and display the tristimulus match predicted by each of the seven sets of responsivity functions. © 2002 Wiley Periodicals, Inc. Col Res Appl, 27, 316–329, 2002; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/col.10077     

Embodied Robot versus Virtual Agent: Involvement of Preschool Children in Motor Task Performance

Embodied robots are known to be preferable in most cases to their virtual agents for interaction with and performance by human subjects. This study compared the efficacy of an embodied robot-coacher and its virtual agent in involving preschool children in the performance of playlike motor tasks. The robot or its virtual agent demonstrated movements, asked the children to repeat them, and provided positive feedback on their performance. The difficulty of the motor tasks was increased over the course of the session. Two groups of children were studied, one of them with and the other without previous experience of interaction with the embodied robot. In the experienced group, involvement in motor tasks was successfully induced by both the embodied robot and its virtual agent, but the children interacted less well with the virtual agent than with the embodied robot. Children in the inexperienced group did not interact at all during the experiment with the virtual agent. Because participants in the experiment were preschool children in their natural environment, this study proposes the combined use of an embodied robot and its virtual agent for motor involvement.     

Some dynamic mechanical properties of unimodal and bimodal networks of poly(dimethylsiloxane)

Summary Elastomeric networks of polydimethylsiloxane prepared by end-linking chains having molecular weights in the range 18,500 to 220 g mol^-1 were studied from -128 to 50°C using a Rheovibron DDV III Viscoelastometer. In the case of the unimodal networks, the glass transition temperature T_g was generally insensitive to degree of cross-linking. The intensity of the tan δ relaxation, however, increased by over an order of magnitude over the range of cross-link densities investigated. Bimodal networks prepared from mixtures of relatively long and very short PDMS chains also had values of T_g which were insensitive to degree of cross-linking. Finally, as expected, the intensities of the tan δ peak for the bimodal networks could not be explained on the basis of simple additivity of contributions from the relatively long and the very short network chains.     

Lipids ofCrassostrea virginica. I. Preliminary investigations of aldehyde and phosphorous containing lipids in oyster tissue

Oyster tissue contained 2.4% lipid, 0.14 μmole aldehyde per milligram lipid and at least 10 μg phosphorous per milligram lipid. The neutral lipid represented 58%, the glycolipid 6%, and the polar lipid 36% of the total lipid recovered after silicic acid column chromatography. Aldehydes were found in all fractions, but the presence of plasmalogen was verified in only the neutral and polar lipid fractions. At least 68% of the plasmalogen in oyster lipid was found in the polar lipid fraction. At least 13% of the phosphorous in oyster lipids was present as phosphonolipid. The distribution of phosphate and phosphonate lipids was: diacyl phospholipid 38.1%, plasmalogen phospholipid 21.8%, sphingophosphonolipid 13.5%, glyceryl ether phospholipid 8.3%, sphingophospholipid 6.9%, plasmalogen phosphonolipid 6.4%, diacyl phosphonolipid 2.6%, and glyceryl ether phosphonolipid 2.4%. When the per cent of phosphorous as phosphonolipid within the plasmalogen and glyceryl ether classes was calculated, similar values were obtained. These results support the hypothesis that there is a product precursor relationship between these two classes of lipids. Some of the data taken from a thesis to be submitted to the Graduate School, University of Maryland, by Leslye Johnson in partial fulfillment of the requirements for the M.S. degree in biochemistry.     

A study of structural determinants in the interleukin-1 fold

The structures of interleukin-1ß, basic fibroblastgrowth factor and Erythrina trypsin inhibitor have been analysedin order to determine whether the hydrophobic core remains conserved,even when the structures have extremely low sequence similarities.We find that there are significant differences in the way eachprotein achieves a satisfactory arrangement of core residuesand that positions which contribute to the core of one structureare not guaranteed to contribute to the integrity of another.Furthermore, the side-chain packing arrangements of these coreresidues vary significantly between the three structures. Duringthis analysis the side-chain rotamers for three independentlydetermined interleukin-1ß structures were also compared.It was found that although buried residues are generally inagreement the remaining residues frequently occupy differentrotamers in the three structures. This suggests that althoughmeaningful studies are possible for buried side-chains the resultsobtained from equivalent analyses of accessible residues shouldbe treated with caution. These results are discussed with specificreference to the optimization of side-chain packing in proteinsof known structure.     

Temporal evolution of contacts and communities in networks of face-to-face human interactions

Temporal dynamics of social interaction networks as well as the analysis of communities are key aspects to gain a better understanding of the involved processes, important influence factors, their effects, and their structural implications. In this article, we analyze temporal dynamics of contacts and the evolution of communities in networks of face-to-face proximity. As our application context, we consider four scientific coil- ferences. On a structural level, we focus on static and dynamic properties of the contact graphs. Also, we analyze the resulting community structure using state-of-the-art automatic community detection algorithms. Specifically, we analyze tile evolution of contacts and communities over time to consider the stability of the respective conmmnities. Furthermore, we assess different factors which have an influence on the quality of com- munity prediction. Overall, we provide first important insights into the evolution of contacts and communities in face-to-face contact networks.