387 research outputs found
Comparative study of density functional theories of the exchange-correlation hole and energy in silicon
We present a detailed study of the exchange-correlation hole and
exchange-correlation energy per particle in the Si crystal as calculated by the
Variational Monte Carlo method and predicted by various density functional
models. Nonlocal density averaging methods prove to be successful in correcting
severe errors in the local density approximation (LDA) at low densities where
the density changes dramatically over the correlation length of the LDA hole,
but fail to provide systematic improvements at higher densities where the
effects of density inhomogeneity are more subtle. Exchange and correlation
considered separately show a sensitivity to the nonlocal semiconductor crystal
environment, particularly within the Si bond, which is not predicted by the
nonlocal approaches based on density averaging. The exchange hole is well
described by a bonding orbital picture, while the correlation hole has a
significant component due to the polarization of the nearby bonds, which
partially screens out the anisotropy in the exchange hole.Comment: 16 pages, 5 figures, RevTeX, added conten
Insights into the interaction of iodide and iodine with Cu(II)-loaded bispicolylamine chelating resin and applications for nuclear waste treatment
Radioiodine is a challenging contaminant to remove from aqueous wastestreams, resulting from spent nuclear fuel reprocessing. To create a selective, economical adsorbent, a Cu-loaded bispicolylamine chelating resin was produced, from commercially available reagents and its performance for removal of aqueous iodide and iodine was assessed. The resin possessed a large equilibrium uptake capacity of 305 ± 14 mg.gâ1 iodide and 2940 ± 180 mg.gâ1 total iodine. Performance was close to maximal over a pH range of 2â10. Capacity was reduced by ~55% by the addition of cocontaminants nitrate and molybdate, but resistance to suppression was greatly superior to non-modified polyamine resins, clearly seen in dynamic column experiments. The uptake mechanism was investigated spectroscopically and was found to proceed via ligand-exchange, with some in-situ REDOX chemistry occurring, resulting in the formation of Cu(I) and triiodide. The latter was concurrently adsorbed on to the resin and occupied both strong (Cu-associated) and weak (charge-transfer complex formation) binding sites. Thermal decomposition of the loaded resins revealed that the captured iodine was volatised at several different temperatures, according to strength of adsorption, but a large fraction was converted to stable CuI, suggesting a possible pathway towards volume-reduction and immobilisation as a final wasteform
The influence of individual cognitive style on performance in management education
This paper reports the outcomes of an empirical study undertaken to explore the possibility that cognitive style may be an important factor influencing performance on certain types of task in management education. Four hundred and twelve final-year undergraduate degree students studying management and business administration were tested using the Allinson-Hayes Cognitive Style Index. Their cognitive styles were then compared with assessment grades achieved for academic modules, the task categories of which were deemed to be consonant with either the wholist/intuitive or the analytic style of working. Overall ability defined by final degree grades was also tested against individualsâ cognitive styles. As expected, students whose dominant cognitive styles were analytic attained higher grades for long term solitary tasks involving careful planning and analysis of information. However, contrary to expectations, performance on tasks believed to be more suited to the wholist/intuitive style was also higher for analytic individuals, as was overall ability defined by final degree grades. The results were discussed in terms of the nature of the tasks and the need for methods of performance assessment that are independent of an orientation bias. Without this, it is argued, employment selection criteria may favour the wrong type of candidate in some circumstances
A First Search for coincident Gravitational Waves and High Energy Neutrinos using LIGO, Virgo and ANTARES data from 2007
We present the results of the first search for gravitational wave bursts
associated with high energy neutrinos. Together, these messengers could reveal
new, hidden sources that are not observed by conventional photon astronomy,
particularly at high energy. Our search uses neutrinos detected by the
underwater neutrino telescope ANTARES in its 5 line configuration during the
period January - September 2007, which coincided with the fifth and first
science runs of LIGO and Virgo, respectively. The LIGO-Virgo data were analysed
for candidate gravitational-wave signals coincident in time and direction with
the neutrino events. No significant coincident events were observed. We place
limits on the density of joint high energy neutrino - gravitational wave
emission events in the local universe, and compare them with densities of
merger and core-collapse events.Comment: 19 pages, 8 figures, science summary page at
http://www.ligo.org/science/Publication-S5LV_ANTARES/index.php. Public access
area to figures, tables at
https://dcc.ligo.org/cgi-bin/DocDB/ShowDocument?docid=p120000
Outcome Feedback Effects on Risk Propensity in an MCPLP Task
In this experimental analysis, the effects of outcome feedback on risk propensity were assessed within the multiple-cue-probability-learning-paradigm (MCPLP). The individual decision maker in this task received outcome feedback on a decision-by-decision basis. It was hypothesized that information on his/her success or lack of success (outcome feedback) on each decision would influence the decision to risk (commit) resources. Hierarchical regression results revealed that after all other performance effects had been partialled out, current outcome feedback explained much of the commitment decision.Yeshttps://us.sagepub.com/en-us/nam/manuscript-submission-guideline
Developing a predictive modelling capacity for a climate change-vulnerable blanket bog habitat: Assessing 1961-1990 baseline relationships
Aim: Understanding the spatial distribution of high priority habitats and
developing predictive models using climate and environmental variables to
replicate these distributions are desirable conservation goals. The aim of this
study was to model and elucidate the contributions of climate and topography to
the distribution of a priority blanket bog habitat in Ireland, and to examine how
this might inform the development of a climate change predictive capacity for
peat-lands in Ireland.
Methods: Ten climatic and two topographic variables were recorded for grid
cells with a spatial resolution of 1010 km, covering 87% of the mainland
land surface of Ireland. Presence-absence data were matched to these variables
and generalised linear models (GLMs) fitted to identify the main climatic and
terrain predictor variables for occurrence of the habitat. Candidate predictor
variables were screened for collinearity, and the accuracy of the final fitted GLM
was evaluated using fourfold cross-validation based on the area under the curve
(AUC) derived from a receiver operating characteristic (ROC) plot. The GLM
predicted habitat occurrence probability maps were mapped against the actual
distributions using GIS techniques.
Results: Despite the apparent parsimony of the initial GLM using only climatic
variables, further testing indicated collinearity among temperature and precipitation
variables for example. Subsequent elimination of the collinear variables and
inclusion of elevation data produced an excellent performance based on the AUC
scores of the final GLM. Mean annual temperature and total mean annual
precipitation in combination with elevation range were the most powerful
explanatory variable group among those explored for the presence of blanket
bog habitat.
Main conclusions: The results confirm that this habitat distribution in general
can be modelled well using the non-collinear climatic and terrain variables tested
at the grid resolution used. Mapping the GLM-predicted distribution to the
observed distribution produced useful results in replicating the projected
occurrence of the habitat distribution over an extensive area. The methods
developed will usefully inform future climate change predictive modelling for
Irelan
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A conserved fungal glycosyltransferase facilitates pathogenesis of plants by enabling hyphal growth on solid surfaces
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Pathogenic fungi must extend filamentous hyphae across solid surfaces to cause diseases of plants. However, the full inventory of genes which support this is incomplete and many may be currently concealed due to their essentiality for the hyphal growth form. During a random T-DNA mutagenesis screen performed on the pleomorphic wheat (Triticum aestivum) pathogen Zymoseptoria tritici, we acquired a mutant unable to extend hyphae specifically when on solid surfaces. In contrast âyeast-likeâ growth, and all other growth forms, were unaffected. The inability to extend surface hyphae resulted in a complete loss of virulence on plants. The affected gene encoded a predicted type 2 glycosyltransferase (ZtGT2). Analysis of >800 genomes from taxonomically diverse fungi highlighted a generally widespread, but discontinuous, distribution of ZtGT2 orthologues, and a complete absence of any similar proteins in non-filamentous ascomycete yeasts. Deletion mutants of the ZtGT2 orthologue in the taxonomically un-related fungus Fusarium graminearum were also severely impaired in hyphal growth and non-pathogenic on wheat ears. ZtGT2 expression increased during filamentous growth and electron microscopy on deletion mutants (ÎZtGT2) suggested the protein functions to maintain the outermost surface of the fungal cell wall. Despite this, adhesion to leaf surfaces was unaffected in ÎZtGT2 mutants and global RNAseq-based gene expression profiling highlighted that surface-sensing and protein secretion was also largely unaffected. However, ÎZtGT2 mutants constitutively overexpressed several transmembrane and secreted proteins, including an important LysM-domain chitin-binding virulence effector, Zt3LysM. ZtGT2 likely functions in the synthesis of a currently unknown, potentially minor but widespread, extracellular or outer cell wall polysaccharide which plays a key role in facilitating many interactions between plants and fungi by enabling hyphal growth on solid matrices
Effects of sleep deprivation on neural functioning: an integrative review
Sleep deprivation has a broad variety of effects on human performance and neural functioning that manifest themselves at different levels of description. On a macroscopic level, sleep deprivation mainly affects executive functions, especially in novel tasks. Macroscopic and mesoscopic effects of sleep deprivation on brain activity include reduced cortical responsiveness to incoming stimuli, reflecting reduced attention. On a microscopic level, sleep deprivation is associated with increased levels of adenosine, a neuromodulator that has a general inhibitory effect on neural activity. The inhibition of cholinergic nuclei appears particularly relevant, as the associated decrease in cortical acetylcholine seems to cause effects of sleep deprivation on macroscopic brain activity. In general, however, the relationships between the neural effects of sleep deprivation across observation scales are poorly understood and uncovering these relationships should be a primary target in future research
Cross-ancestry genome-wide association analysis of corneal thickness strengthens link between complex and Mendelian eye diseases
Central corneal thickness (CCT) is a highly heritable trait associated with complex eye diseases such as keratoconus and glaucoma. We perform a genome-wide association meta-analysis of CCT and identify 19 novel regions. In addition to adding support for known connective tissue-related pathways, pathway analyses uncover previously unreported gene sets. Remarkably, >20% of the CCT-loci are near or within Mendelian disorder genes. These included FBN1, ADAMTS2 and TGFB2 which associate with connective tissue disorders (Marfan, Ehlers-Danlos and Loeys-Dietz syndromes), and the LUM-DCN-KERA gene complex involved in myopia, corneal dystrophies and cornea plana. Using index CCT-increasing variants, we find a significant inverse correlation in effect sizes between CCT and keratoconus (r =-0.62, P = 5.30 Ă 10-5) but not between CCT and primary open-angle glaucoma (r =-0.17, P = 0.2). Our findings provide evidence for shared genetic influences between CCT and keratoconus, and implicate candidate genes acting in collagen and extracellular matrix regulation
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