Behavior of Metallic Inclusions in Uranium Dioxide

The mobility of micron-size powders of refractory and noble metals in UO{sub 2} was investigated under isothermal and temperature gradient conditions, The metal particles were initially placed between two polished surfaces of UO{sub 2} and any movement which occurred during high temperature annealing was determined microscopically. Tungsten and molybdenum particles 1 to 10 {micro}m in diameter were immobile in UO{sub 2} at 2500°C in a temperature gradient of 1400°C/cm. Ruthenium, however, dissolved into and spread through hypostoichiometric, polycrystalline urania and was found after isothermal annealing as the U-Ru intermetallic compound in the grain boundaries of the oxide. The mechanism does not involve bodily motion of the metal particles. Rather, ruthenium dissolves in the grain bmmdaries of the oxide, migrates as atoms via the same pathway, and reacts while migrating to form URu{sub 3}, This product grows as layers in the grain boundaries. Isothermal ruthenium spreading followed simple diffusion theory, and apparent solubilities and effective diffusivities were obtained from the data for the temperature nmge 2000 to 2300°C. In a temperature gradient, ruthenium moves to the hot zones of UO{sub 2}; the mechanism appears to be the same as found for isothermal spreading, but the extent of movement up the temperature gradient cannot be explained by simple diffusion theory, even with an appreciable Soret effect

The power-capture of a nearshore, modular, flap-type wave energy converter in regular waves

Bottom-hinged, nearshore flap-type wave energy converters (WECs), have several advantages, such as high power conversion efficiency and survivability. They typically comprise a single flap spanning their full width. However, a potentially beneficial design change would be to split the flap into multiple modules, to make a ‘Modular Flap’. This could provide improvements, such as increased power-capture, reduced foundation loads and lower manufacturing and installation costs. Assessed in this work is the hydrodynamic power-capture of this device, based on physical modelling. Comparisons are made to an equivalent ‘Rigid Flap’. Tests are conducted in regular, head-on and off-angle waves. The simplest control strategy, of damping each module equally, is employed. The results show that, for head-on waves, the power increases towards the centre of the device, with the central modules generating 68% of the total power. Phase differences are also present. Consequently, the total power produced by the Modular Flap is, on average, 23% more smooth than that generated by the Rigid Flap. The Modular Flap has 3% and 1% lower average power-capture than the Rigid Flap in head-on and off-angle waves, respectively. The advantages of the modular concept may therefore be exploited without significantly compromising the power-capture of the flap-type WEC

KNIME-CDK: Workflow-driven cheminformatics

BACKGROUND: Cheminformaticians have to routinely process and analyse libraries of small molecules. Among other things, that includes the standardization of molecules, calculation of various descriptors, visualisation of molecular structures, and downstream analysis. For this purpose, scientific workflow platforms such as the Konstanz Information Miner can be used if provided with the right plug-in. A workflow-based cheminformatics tool provides the advantage of ease-of-use and interoperability between complementary cheminformatics packages within the same framework, hence facilitating the analysis process. RESULTS: KNIME-CDK comprises functions for molecule conversion to/from common formats, generation of signatures, fingerprints, and molecular properties. It is based on the Chemistry Development Toolkit and uses the Chemical Markup Language for persistence. A comparison with the cheminformatics plug-in RDKit shows that KNIME-CDK supports a similar range of chemical classes and adds new functionality to the framework. We describe the design and integration of the plug-in, and demonstrate the usage of the nodes on ChEBI, a library of small molecules of biological interest. CONCLUSIONS: KNIME-CDK is an open-source plug-in for the Konstanz Information Miner, a free workflow platform. KNIME-CDK is build on top of the open-source Chemistry Development Toolkit and allows for efficient cross-vendor structural cheminformatics. Its ease-of-use and modularity enables researchers to automate routine tasks and data analysis, bringing complimentary cheminformatics functionality to the workflow environment

Artificial intelligence in biological activity prediction

Artificial intelligence has become an indispensable resource in chemoinformatics. Numerous machine learning algorithms for activity prediction recently emerged, becoming an indispensable approach to mine chemical information from large compound datasets. These approaches enable the automation of compound discovery to find biologically active molecules with important properties. Here, we present a review of some of the main machine learning studies in biological activity prediction of compounds, in particular for sweetness prediction. We discuss some of the most used compound featurization techniques and the major databases of chemical compounds relevant to these tasks.This study was supported by the European Commission through project SHIKIFACTORY100 - Modular cell factories for the production of 100 compounds from the shikimate pathway (Reference 814408), and by the Portuguese FCT under the scope of the strategic funding of UID/BIO/04469/2019 unit and BioTecNorte operation (NORTE-01-0145-FEDER-000004) funded by the European Regional Development Fund under the scope of Norte2020.info:eu-repo/semantics/publishedVersio

Is Violent Radicalisation Associated with Poverty, Migration, Poor Self-Reported Health and Common Mental Disorders?

BACKGROUND: Doctors, lawyers and criminal justice agencies need methods to assess vulnerability to violent radicalization. In synergy, public health interventions aim to prevent the emergence of risk behaviours as well as prevent and treat new illness events. This paper describes a new method of assessing vulnerability to violent radicalization, and then investigates the role of previously reported causes, including poor self-reported health, anxiety and depression, adverse life events, poverty, and migration and socio-political factors. The aim is to identify foci for preventive intervention. METHODS: A cross-sectional survey of a representative population sample of men and women aged 18-45, of Muslim heritage and recruited by quota sampling by age, gender, working status, in two English cities. The main outcomes include self-reported health, symptoms of anxiety and depression (common mental disorders), and vulnerability to violent radicalization assessed by sympathies for violent protest and terrorist acts. RESULTS: 2.4% of people showed some sympathy for violent protest and terrorist acts. Sympathy was more likely to be articulated by the under 20s, those in full time education rather than employment, those born in the UK, those speaking English at home, and high earners (>£75,000 a year). People with poor self-reported health were less likely to show sympathies for violent protest and terrorism. Anxiety and depressive symptoms, adverse life events and socio-political attitudes showed no associations. CONCLUSIONS: Sympathies for violent protest and terrorism were uncommon among men and women, aged 18-45, of Muslim heritage living in two English cities. Youth, wealth, and being in education rather than employment were risk factors

Individual quality of life: adaptive conjoint analysis as an alternative for direct weighting?

In the schedule for the evaluation of individual quality of life (SEIQoL) the weights for five individualized quality of life domains have been derived by judgment analysis and direct weighting (DW). We studied the feasibility and validity of adaptive conjoint analysis (ACA) as an alternative method to derive weights in 27 cancer patients and 20 patients with rheumatoid arthritis. Further, we assessed the convergence between direct weights and weights derived by ACA, and their correlation with global quality-of-life scores. All respondents finished the ACA task, but one in five respondents were upset about the ACA task. Further, the task was vulnerable to judgment ‘errors’, such as inconsistent answers. The agreement between the two weights was low. Both weighted index scores were strongly correlated to the unweighted index score. The relationships between the index score and scores on a visual analogue scale for global individual quality of life and global quality of life were similar whether or not the index score was calculated with DW weights, with ACA weights, or without using weights. We conclude that, because weights did not improve the correlation between the index score and global quality of life scores, it seems sufficient to use the unweighted index score as a measure for global individual quality of life