Structural evolution in gel-derived mullite precursors

The evolution of mullite from organo-metal gel precursors above 700 °C is found to be strongly influenced in both gel pieces and powdered samples by the thermal pretreatment at lower temperatures. Under the present conditions, the optimum preheating temperature was found to be 350 °C, at which temperature an anomalously high concentration was found of an Al species with a characteristic ²⁷Al magic-angle spinning NMR resonance at about 30 ppm. Such Al sites are often described as pentaco-ordinated, but an alternative assignment is considered. The optimum temperature for the formation of this Al site is also optimal for the catalytic formation of aromatic molecules from the residual organic fragments and/or solvent present. Mass spectrometry shows that under the present reaction conditions, these aromatics are thermally stable up to at least 900 °C in air, and the prolonged presence of their decomposition products (CO and water) could facilitate the transformation of the gel to crystalline mullite. The ²⁹Si NMR spectra indicate at least three different Si environments, including one which may arise from the formation of silicon oxycarbide glasses in these gels.     

Verifying anonymity in voting systems using CSP

We present formal definitions of anonymity properties for voting protocols using the process algebra CSP. We analyse a number of anonymity definitions, and give formal definitions for strong and weak anonymity, highlighting the difference between these definitions. We show that the strong anonymity definition is too strong for practical purposes; the weak anonymity definition, however, turns out to be ideal for analysing voting systems. Two case studies are presented to demonstrate the usefulness of the formal definitions: a conventional voting system, and Prêt à Voter, a paper-based, voter-verifiable scheme. In each case, we give a CSP model of the system, and analyse it against our anonymity definitions by specification checks using the Failures-Divergences Refinement (FDR2) model checker. We give a detailed discussion on the results from the analysis, emphasizing the assumptions that we made in our model as well as the challenges in modelling electronic voting systems using CSP.     

Behaviour of mortar and concrete at extremely low temperatures

The behaviour of hydrated cement paste, mortar and concrete specimens (age ～ 110 days) was investigated at low temperatures and after cyclic temperature-time histories. The relative changes of thermal strains, compressive and tensile splitting strength as well as the alteration of pore structure were studied. The strength in the frozen state increases with decreasing temperature and rising moisture content. If the frozen water-saturated mortar or concrete is reheated to room temperature a loss of strength is registered. The loss of strength increases with the number of temperature cycles. Storing the specimens at rel. hum. below 85% no losses were registered and no irreversible expansion occured. Water-saturated mortar showed after only 12 cycles an irreversible positive strain of 2,7%, indicating internal damage which was also proved by mercury porosimetry. Thus, the moisture content seems to be one of the decisive factors affecting the sensitivity of mortar and concrete subjected to extremely low temperatures.     

New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model

TAR RNA is a potential target for AIDS therapy. Ligand-based virtual screening was performed to retrieve novel scaffolds for RNA-binding molecules capable of inhibiting the Tat-TAR interaction, which is essential for HIV replication. We used a "fuzzy" pharmacophore approach (SQUID) and an alignment-free pharmacophore method (CATS3D) to carry out virtual screening of a vendor database of small molecules and to perform "scaffold-hopping". A small subset of 19 candidate molecules were experimentally tested for TAR RNA binding in a fluorescence resonance energy transfer (FRET) assay. Both methods retrieved molecules that exhibited activities comparable to those of the reference molecules acetylpromazine and chlorpromazine, with the best molecule showing ten times better binding behavior (IC50 = 46 microM). The hits had molecular scaffolds different from those of the reference molecules.     

Solvent induced crystallization of syndiotactic poly(methyl methacrylate) relation to the formation of polymer aggregates in solution

Polymer Bulletin - Solutions of syndiotactic (s) poly (methyl methacrylate) (PMMA) and samples of solid s-PMMA prepared from these solutions were studied by NMR and infrared (IR) spectroscopy and...     

From a theoretical model to a predictive simulation model of operator interaction with support systems: designing experiments to build the numerical simulation

In this paper, we will discuss a methodology developed and applied in the European ITERATE project with the objective of designing experiments that will provide data to seed the numerical model of operator behaviour in different surface transport modes: road vehicles, rail transport and ships. The experiments aim to investigate how new technologies support different types of operators in different contexts. A structured approach was adopted. Firstly, an initial selection of the systems to be investigated was made, describing the support they provide for operators. Hypotheses were formulated on the effects of operator parameters on the interaction with the systems. A final selection of systems for the experiments was made, focusing on systems providing support for collision avoidance and speed management. The operator parameters (culture, attitude and personality, experience, driver state (such as fatigue) and the demands of the task) were operationalised and piloted. The next step was the development of scenarios to be implemented in a driving simulator. In the last step, the final experiments were designed and detailed.     

QUANTITATIVE MEASUREMENT OF CHROMIUM'S ABILITY TO PROMOTE ADHESION

Using atomic force spectroscopy, we investigated the adhesion-promoting ability of chromium. An intermediate layer of chromium can overcome the low adhesion between metal films and silicon dioxide. For the first time, we quantitatively studied this experimentally well known fact. We compared the adhesion between chromium and different substrates such as gold, silver, mica, and silicon dioxide and, beyond that, the adhesion between silicon dioxide and the same substrates. To avoid additional effects due to water, we chose ethanol as a nonpolar solvent. Taking the interfacial energies of the surfaces with the liquid into account eliminates the direct influence of the fluid medium on the adhesion of the solid material. The results we obtained corroborate the experimental fact of higher adhesion of chromium with the chosen substrates, as well as substantiate the value of chromium as an adhesion promoter. The adhesion of chromium-coated probes on gold, silicon dioxide, and mica is higher than the adhesion of silicon dioxide probes on the same substrates.     

Stretching and deformation vibrations of CH2, C(CH3) and O(CH3) groups of poly(methyl methacrylate)

Infrared and Raman spectra of atactic PMMA and infrared spectra of stereoregular PMMA and of its four deuterated derivatives

, were measured. They were used to assign the bands of stretching and deformation vibrations of CH₂, CCH₃ and OCH₃ groups in the infrared and Raman spectra and to discuss the effect of stereoregularity on these bands in the infrared spectra.     

Enzymatic esterification of glycerol I. Lipase-catalyzed synthesis of regioisomerically pure 1,3-sn-diacylglycerols

Regioisomerically pure 1,3-sn-diacylglycerols are conveniently prepared in high yields (>80%) and in large quantities by enzymatic esterification of glycerol in the presence of various 1,3-selective lipases(Chromobacterium viscosum, Rhizopus delemar, Rhizomucor miehei) and a variety of different acyl donors like free fatty acids, fatty acid alkyl esters and vinyl esters. All reactions are carried out in aprotic organic solvents of low water content, namelyn-hexane, diethyl ether or tBuOMe. The creation of an artificial interphase between the solvent-immiscible hydrophilic glycerol and the hydrophobic reaction media by the adsorption of glycerol onto a solid support prior to use was essential for the success of these transformations. The effects of reaction conditions and the regioselectivities of the lipases on the product yields are described in detail.