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 Effective Fragment Molecular Orbital Method for Fragments Connected by Covalent Bonds

We extend the effective fragment molecular orbital method (EFMO) into treating fragments connected by covalent bonds. The accuracy of EFMO is compared to FMO and conventional ab initio electronic structure methods for polypeptides including proteins. Errors in energy for RHF and MP2 are within 2 kcal/mol for neutral polypeptides and 6 kcal/mol for charged polypeptides similar to FMO but obtained two to five times faster. For proteins, the errors are also within a few kcal/mol of the FMO results. We developed both the RHF and MP2 gradient for EFMO. Compared to ab initio, the EFMO optimized structures had an RMSD of 0.40 and 0.44 {\AA} for RHF and MP2, respectively.Comment: Revised manuscrip

ChemProt-2.0: visual navigation in a disease chemical biology database

ChemProt-2.

The Extended Learning Curve for Laparoscopic Fundoplication: A Cohort Analysis Of 400 Consecutive Cases

Many studies have looked at the learning curve associated with laparoscopic Nissen fundoplication (LNF) in a given institution. This study looks at the learning curve of a single surgeon with a large cohort of patients over a 10-year period. Prospective data were collected on 400 patients undergoing laparoscopic fundoplication for over 10 years. The patients were grouped consecutively into cohorts of 50 patients. The operating time, the length of postoperative hospital stay, the conversion rate to open operation, the postoperative dilatation rate, and the reoperation rate were analyzed. Results showed that the mean length of operative time decreased from 143 min in the first 50 patients to 86 min in the last 50 patients. The mean postoperative length of hospital stay decreased from 3.7 days initially to 1.2 days latterly. There was a 14% conversion to open operation rate in the first cohort compared with a 2% rate in the last cohort. Fourteen percent of patients required reoperation in the first cohort and 6% in the last cohort. Sixteen percent required postoperative dilatation in the first cohort. None of the last 150 patients required dilatation. In conclusion, laparoscopic fundoplication is a safe and effective operation for patients with gastroesophageal reflux disease. New techniques and better instrumentation were introduced in the early era of LNF. The learning curve, however, continues well beyond the first 20 patients

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

Somewhat united: primary stakeholder perspectives of the governance of schoolboy football in Ireland

Despite an independent report on the governance and organisational practices of football in Ireland, the National Governing Body continues to face criticism in relation to stakeholder management and communication. As positive outcomes in non-profit organisations are associated with quality relationships between organisations, the purpose of this article is to explore primary stakeholder perspectives of the governance of schoolboy football in the Republic of Ireland. The research questions to be addressed are: do tensions exist between stakeholders and does the FAI display effective governance behaviours in relation to its primary stakeholders. Semi-structured interviews were conducted with seven stakeholders from the football governance system. A lack of congruence across the system was identified, which resulted from ineffective stakeholder management (poor communication practices, perceptions of inaccurate disclosures, perceived lack of inclusion in decision-making, perceptions of organisational injustice, confusion over role clarity and responsibilities). Managing the quality of the relationships with diverse stakeholders within a sport governance system is key for strategic policy formation and implementation, yet this remains a challenging and multi-faceted concept. © 2018, © 2018 Informa UK Limited, trading as Taylor & Francis Group

Comparative genomics of the major parasitic worms

Parasitic nematodes (roundworms) and platyhelminths (flatworms) cause debilitating chronic infections of humans and animals, decimate crop production and are a major impediment to socioeconomic development. Here we report a broad comparative study of 81 genomes of parasitic and non-parasitic worms. We have identified gene family births and hundreds of expanded gene families at key nodes in the phylogeny that are relevant to parasitism. Examples include gene families that modulate host immune responses, enable parasite migration though host tissues or allow the parasite to feed. We reveal extensive lineage-specific differences in core metabolism and protein families historically targeted for drug development. From an in silico screen, we have identified and prioritized new potential drug targets and compounds for testing. This comparative genomics resource provides a much-needed boost for the research community to understand and combat parasitic worms