UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method

UKRmol+ is a new implementation of the time-independent UK R-matrix electron–molecule scattering code. Key features of the implementation are the use of quantum chemistry codes such as Molpro to provide target molecular orbitals; the optional use of mixed Gaussian — B-spline basis functions to represent the continuum and improved configuration and Hamiltonian generation. The code is described, and examples covering electron collisions from a range of targets, positron collisions and photoionization are presented. The codes are freely available as a tarball from Zenodo

Tuneable photoconductivity and mobility enhancement in printed MoS 2 /graphene composites

This is the author accepted manuscript. The final version is available from IOP Publishing via the DOI in this record.With the aim of increasing carrier mobility in nanosheet-network devices, we have investigated MoS2–graphene composites as active regions in printed photodetectors. Combining liquid exfoliation and inkjet-printing, we fabricated all-printed photodetectors with graphene electrodes and MoS2–graphene composite channels with various graphene mass fractions (0  ≤  M f  ≤  16 wt%). The increase in channel dark conductivity with M f was consistent with percolation theory for composites below the percolation threshold. While the photoconductivity increased with graphene content, it did so more slowly than the dark conductivity, such that the fractional photoconductivity decayed rapidly with increasing M f. We propose that both mobility and dark carrier density increase with graphene content according to percolation-like scaling laws, while photo-induced carrier density is essentially independent of graphene loading. This leads to percolation-like scaling laws for both photoconductivity and fractional photoconductivity—in excellent agreement with the data. These results imply that channel mobility and carrier density increase up to 100-fold with the addition of 16 wt% graphene.We acknowledge the Science Foundation Ireland (SFI/12/RC/2278), the European Commission (n° 696656, Graphene Flagship) and the European Research Council (FUTURE-PRINT)

Relationship between perceived benefits and social influence towards Self Disclosure and Behavioral Intention in Web 2.0

The data gathering was conducted from September 2011 until October 2011 using Google document online survey. A total of 201 university students which comprises respondents from two faculties, Labuan School of International Business and Finance (LSIBF) and Labuan School of Informatics Science (LSIS) participated in the online survey. The main objective of the research is to explore the relationship between performance expectancy, effort expectancy and social influence towards behavioral intention as well as self-disclosure intention in Web 2.0. One of the key findings in this area of research was although an innovation or technology tool may be useful and ease to use, users may not be able to see the relevant of exposing private information about themselves to an unknown person online or even to the service provider. Furthermore, the analysis also revealed that social influence has a significant effect on self-disclosure intention. Another key finding proposed that the dimension of perceived benefits (combination of two original dimensions namely performance expectancy and effort expectancy) be used to understand users perception on Web 2.0

Hypnosis for treatment of insomnia in school-age children: a retrospective chart review

BACKGROUND: The purposes of this study are to document psychosocial stressors and medical conditions associated with development of insomnia in school-age children and to report use of hypnosis for this condition. METHODS: A retrospective chart review was performed for 84 children and adolescents with insomnia, excluding those with central or obstructive sleep apnea. All patients were offered and accepted instruction in self-hypnosis for treatment of insomnia, and for other symptoms if it was felt that these were amenable to therapy with hypnosis. Seventy-five patients returned for follow-up after the first hypnosis session. Their mean age was 12 years (range, 7–17). When insomnia did not resolve after the first instruction session, patients were offered the opportunity to use hypnosis to gain insight into the cause. RESULTS: Younger children were more likely to report that the insomnia was related to fears. Two or fewer hypnosis sessions were provided to 68% of the patients. Of the 70 patients reporting a delay in sleep onset of more than 30 minutes, 90% reported a reduction in sleep onset time following hypnosis. Of the 21 patients reporting nighttime awakenings more than once a week, 52% reported resolution of the awakenings and 38% reported improvement. Somatic complaints amenable to hypnosis were reported by 41%, including chest pain, dyspnea, functional abdominal pain, habit cough, headaches, and vocal cord dysfunction. Among these patients, 87% reported improvement or resolution of the somatic complaints following hypnosis. CONCLUSION: Use of hypnosis appears to facilitate efficient therapy for insomnia in school-age children

A systematic review of models to predict recruitment to multicentre clinical trials

<p>Abstract</p> <p>Background</p> <p>Less than one third of publicly funded trials managed to recruit according to their original plan often resulting in request for additional funding and/or time extensions. The aim was to identify models which might be useful to a major public funder of randomised controlled trials when estimating likely time requirements for recruiting trial participants. The requirements of a useful model were identified as usability, based on experience, able to reflect time trends, accounting for centre recruitment and contribution to a commissioning decision.</p> <p>Methods</p> <p>A systematic review of English language articles using MEDLINE and EMBASE. Search terms included: randomised controlled trial, patient, accrual, predict, enrol, models, statistical; Bayes Theorem; Decision Theory; Monte Carlo Method and Poisson. Only studies discussing prediction of recruitment to trials using a modelling approach were included. Information was extracted from articles by one author, and checked by a second, using a pre-defined form.</p> <p>Results</p> <p>Out of 326 identified abstracts, only 8 met all the inclusion criteria. Of these 8 studies examined, there are five major classes of model discussed: the unconditional model, the conditional model, the Poisson model, Bayesian models and Monte Carlo simulation of Markov models. None of these meet all the pre-identified needs of the funder.</p> <p>Conclusions</p> <p>To meet the needs of a number of research programmes, a new model is required as a matter of importance. Any model chosen should be validated against both retrospective and prospective data, to ensure the predictions it gives are superior to those currently used.</p

Assessing Fish and Motile Fauna around Offshore Windfarms Using Stereo Baited Video

There remains limited knowledge of how offshore windfarm developments influence fish assemblages, particularly at a local scale around the turbine structures. Considering the existing levels of anthropogenic pressures on coastal fish populations it is becoming increasingly important for developers and environmental regulators to gain a more comprehensive understanding of the factors influencing fish assemblages. Improving our ability to assess such fish populations in close proximity to structures will assist in increasing this knowledge. In the present study we provide the first trial use of Baited Remote Underwater Stereo-Video systems (stereo BRUVs) for the quantification of motile fauna in close proximity to offshore wind turbines. The study was conducted in the Irish Sea and finds the technique to be a viable means of assessing the motile fauna of such environments. The present study found a mixture of species including bottom dwellers, motile crustaceans and large predatory fish. The majority of taxa observed were found to be immature individuals with few adult individuals recorded. The most abundant species were the angular crab (Goneplax rhomboides) and the small-spotted catshark (Scyliorhinus canicula). Of note in this study was the generally low abundance and diversity of taxa recorded across all samples, we hypothesise that this reflects the generally poor state of the local fauna of the Irish Sea. The faunal assemblages sampled in close proximity to turbines were observed to alter with increasing distance from the structure, species more characteristic of hard bottom environments were in abundance at the turbines (e.g. Homarus gammarus, Cancer pagarus, Scyliorhinus spp.) and those further away more characteristic of soft bottoms (e.g. Norwegian Lobster). This study highlights the need for the environmental impacts of offshore renewables on motile fauna to be assessed using targeted and appropriate tools. Stereo BRUVs provide one of those tools, but like the majority of methods for sampling marine biota, they have limitations. We conclude our paper by providing a discussion of the benefits and limitations of using this BRUV technique for assessing fauna within areas close to offshore windfarms

Employers and schools: how Mansfield is building a world of work approach

There is a keen interest in encouraging employers to engage with schools so that young people can learn more about careers, understand the skills that employers are interested in, broaden their aspirations and be motivated to succeed. Employer engagement in schools in England however is increasingly fragmented because of a loss of brokering infrastructure. This article describes a partnership approach developed in Mansfield where a consortium of local schools has worked with their business community and public sector organisations. Together they have listened to what young people say they both want and need to know about careers and then responded by providing a strategic careers learning programme. The particular contribution of the Mansfield Learning Partnership which is wholly funded by the town’s secondary schools is detailed in the article alongside elaboration of the Mansfield Framework for Career Learning which provides a work experience programme and several imaginative opportunities for young people to engage in meaningful encounters with employers