Density functional studies of the electronic structure and adsorption at molybdenum oxide surfaces

The electronic structure and bonding at different oxygen sites of MoO₃(0 1 0) and (1 0 0) surfaces is reviewed on the basis of ab initio density functional theory (DFT-LCGTO) cluster calculations. The clusters are chosen as finite sections of the ideal MoO₃ surface where cluster embedding is achieved by bond saturation with hydrogen terminator atoms yielding clusters up to Mo₇O₃₀H₁₈. Resulting charge density distributions and binding properties are analyzed by populations, bond orders, and electrostatic potential maps. Interatomic binding at the surface is determined by both ionic and covalent contributions with a clear distinction between terminal oxygens and different bridging surface oxygens. Electronic differences between the MoO₃ (0 1 0) and (1 0 0) surfaces are found to be mainly due to the different atom arrangement while local atom charging and binding properties seem surface independent. The electronic surface parameters influence the behavior and reactions of adsorbed molecules as will be shown for H, OH, and C₃H₅ adsorbates.     

Validation of the performance of a GMO multiplex screening assay based on microarray detection

A new screening method for the detection and identification of GMO, based on the use of multiplex PCR followed by microarray, has been developed and is presented. The technology is based on the identification of quite ubiquitous GMO genetic target elements first amplified by PCR, followed by direct hybridisation of the amplicons on a predefined microarray (DualChip^® GMO, Eppendorf, Germany). The validation was performed within the framework of a European project (Co-Extra, contract no 007158) and in collaboration with 12 laboratories specialised in GMO detection. The present study reports the strategy and the results of an ISO complying validation of the method carried out through an inter-laboratory study. Sets of blind samples were provided consisting of DNA reference materials covering all the elements detectable by specific probes present on the array. The GMO concentrations varied from 1% down to 0.045%. In addition, a mixture of two GMO events (0.1% RRS diluted in 100% TOPAS19/2) was incorporated in the study to test the robustness of the assay in extreme conditions. Data were processed according to ISO 5725 standard. The method was evaluated with predefined performance criteria with respect to the EC CRL method acceptance criteria. The overall method performance met the acceptance criteria; in particular, the results showed that the method is suitable for the detection of the different target elements at 0.1% concentration of GMO with a 95% accuracy rate. This collaborative trial showed that the method can be considered as fit for the purpose of screening with respect to its intra- and inter-laboratory accuracy. The results demonstrated the validity of combining multiplex PCR with array detection as provided by the DualChip^® GMO (Eppendorf, Germany) for the screening of GMO. The results showed that the technology is robust, practical and suitable as a screening tool.     

Nanoporous gold bumps for low temperature bonding

Nanoporous gold bumps have been deposited on silicon wafers by electroplating a silver–gold alloy followed by etching the silver. An open-porous cellular structure of gold at meso-scale is left on top of the bumps. For flip chip bonding we found low temperature and low force bonding conditions. The porous interconnects have very promising properties, like compressibility and reduced stiffness, which should result in higher bond yield and extended reliability.     

Finite element analysis of a polymer composite subjected to a sliding steel asperity Part I Normal fibre orientation

FE micro-models have been developed in order to determine contact, stress and strain conditions produced by a steel asperity sliding on the surface of a normally oriented fibre-reinforced polymer composite. A displacement coupling technique was introduced to model a micro-environment as part of a macro-environment and to get more realistic simulation results about the failure conditions in the composite structure, in comparison to the so far widely applied anisotropic analytical or numerical macro-models. On the basis of the results, conclusions may be drawn for the possible wear mechanisms of the fibre-reinforced polymer composite. Stress results in the vicinity of the fibers in the contact area show high shear loading of the matrix leading to the formation of stretched-out matrix wear debris. In addition, high repeated compression-tension stresses at the fibre/matrix interface near the surface can lead to fibre debonding phenomena. Considering the fibre ends in the contact region, high compression stresses at their rear edges can produce fibre cracking features. To study the wear mechanisms experimentally, a single asperity scratch test was also performed showing shear failure events of the polymer matrix, fibre/matrix debonding and fibre cracking effects, as expected from the modelling studies.     

Symptom perception in childhood asthma: The role of anxiety and asthma severity.

This study tested the relationship of anxiety and asthma severity to symptom perception. Eighty-six children diagnosed with mild or moderate asthma had symptom perception and pulmonary function measured throughout methacholine challenge (to induce bronchoconstriction). Higher trait anxiety was associated with heightened symptom perception (controlling for pulmonary function) at baseline. Greater asthma severity was associated with blunted symptom perception (controlling for pulmonary function) at the end of methacholine challenge and with a slower rate of increase in symptom perception across methacholine challenge. These results suggest that anxiety plays a role when children's symptoms are mild, whereas medical variables such as severity play a role in perception of changes in asthma symptomatology as bronchoconstriction worsens. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Neuropsychological outcome following anterior temporal lobectomy in patients with and without the syndrome of mesial temporal lobe epilepsy.

The nature, pattern, and degree of neuropsychological change following anterior temporal lobectomy (ATL) were examined as a function of the presence or absence of the syndrome of mesial temporal lobe epilepsy (MTLE). Fifty-four patients exhibited the syndrome of MTLE, while 34 patients were without the syndrome (non-MTLE). The test-retest performance of a group of 40 epilepsy patients who did not undergo surgery was used to derive regression based estimates of test-retest change. Overall, the MTLE group did not show significant cognitive decline following ATL. In contrast, the left non-MTLE group showed significant declines on verbal memory, confrontation naming, and verbal conceptual ability. Further, verbal memory was the most substantial area of decline, and was independent of seizure outcome. Clinical and theoretical implications of these findings are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Thermodynamics and phase relations in refractory metal solid solutions containing carbon,nitrogen, and oxygen

The refractory metals Nb, Ta, Mo, and W dissolve C, N, and O by forming interstitial solid solutions. The concentration of these components can be increased or decreased by annealing treatments, depending on the partial pressure of gases such as N₂, O₂, H₂O, CH₄, or CO and on the temperature of the specimen. New results in binary and ternary systems combined with those obtained in the last few years now provide most of the data needed for the thermochemical analysis of the solid solution phases and for the establishment of p-T-c phase diagrams. The mechanisms of the gas-metal reactions and the general feature of the constitution diagrams are similar for all refractory metals. However, marked differences exist between group Va metals niobium and tantalum and group VIa metals molybdenum and tungsten in the absolute values and temperature dependence of the equilibrium pressure of gaseous species and therefore also in the amount of gas absorbed. The data now available for the estimation of the final content of interstitials in solid solution after annealing treatments are compiled and discussed. On leave from the Max-Planck-Institut fur Metallforschung, Institut fur Sondermetalle, Stuttgart, Germany