Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches

Point defect complexes in crystalline silicon composed of hydrogen, nitrogen, and oxygen atoms are studied within density-functional theory (DFT). Ab initio Random Structure Searching (AIRSS) is used to find low-energy defect structures. We find new lowest-energy structures for several defects: the triple-oxygen defect, {3O}, triple oxygen with a nitrogen atom, {N, 3O}, triple nitrogen with an oxygen atom, {3N,O}, double hydrogen and an oxygen atom, {2H,O}, double hydrogen and oxygen atoms, {2H,2O} and four hydrogen/nitrogen/oxygen complexes, {H,N,O}, {2H,N,O}, {H,2N,O} and {H,N,2O}. We find that some defects form analogous structures when an oxygen atom is replaced by a NH group, for example, {H,N,2O} and {3O}, and {H,N} and {O}. We compare defect formation energies obtained using different oxygen chemical potentials and investigate the relative abundances of the defects.Comment: 9 pages, 13 figure

Mixed mode oscillations in a conceptual climate model

Much work has been done on relaxation oscillations and other simple oscillators in conceptual climate models. However, the oscillatory patterns in climate data are often more complicated than what can be described by such mechanisms. This paper examines complex oscillatory behavior in climate data through the lens of mixed-mode oscillations. As a case study, a conceptual climate model with governing equations for global mean temperature, atmospheric carbon, and oceanic carbon is analyzed. The nondimensionalized model is a fast/slow system with one fast variable (corresponding to ice volume) and two slow variables (corresponding to the two carbon stores). Geometric singular perturbation theory is used to demonstrate the existence of a folded node singularity. A parameter regime is found in which (singular) trajectories that pass through the folded node are returned to the singular funnel in the limiting case where $\epsilon = 0$. In this parameter regime, the model has a stable periodic orbit of type $1^s$ for some $s>0$. To our knowledge, it is the first conceptual climate model demonstrated to have the capability to produce an MMO pattern.Comment: 28 pages, 11 figure

Monitoring sediment transfer processes on the desert margin

LANDSAT Thematic Mapper and Multispectral Scanner data have been used to construct change detection images for three playas in south-central Tunisia. Change detection images have been used to analyze changes in surface reflectance and absorption between wet and dry season (intra-annual change) and between different years (inter-annual change). Change detection imagery has been used to examine geomorphological changes on the playas. Changes in geomorphological phenomena are interpreted from changes in soil and foliar moisture levels, differences in reflectances between different salt and sediments and the spatial expression of geomorphological features. Intra-annual change phenomena that can be detected from multidate imagery are changes in surface moisture, texture and chemical composition, vegetation cover and the extent of aeolian activity. Inter-annual change phenomena are divisible into those restricted to marginal playa facies (sedimentation from sheetwash and alluvial fans, erosion from surface runoff and cliff retreat) and these are found in central playa facies which are related to the internal redistribution of water, salt and sediment

Engaging with economic geography in the "real" world: a central role for field teaching

Debates concerning how to engage students with economic geography have ignored the important role of field teaching. This paper argues that fieldwork must remain a key component of economic geographical teaching and that it offers a variety of advantages to overcoming student disinterest in the sub-discipline. It goes on to argue that field teaching must be developed, not neglected, in economic geography and illustrates its pedagogical advantages with reference to the example of a field class in north-east England

An analysis of extensible modelling for functional genomics data

BACKGROUND: Several data formats have been developed for large scale biological experiments, using a variety of methodologies. Most data formats contain a mechanism for allowing extensions to encode unanticipated data types. Extensions to data formats are important because the experimental methodologies tend to be fairly diverse and rapidly evolving, which hinders the creation of formats that will be stable over time. RESULTS: In this paper we review the data formats that exist in functional genomics, some of which have become de facto or de jure standards, with a particular focus on how each domain has been modelled, and how each format allows extensions. We describe the tasks that are frequently performed over data formats and analyse how well each task is supported by a particular modelling structure. CONCLUSION: From our analysis, we make recommendations as to the types of modelling structure that are most suitable for particular types of experimental annotation. There are several standards currently under development that we believe could benefit from systematically following a set of guidelines

Restrictive antibiotic stewardship associated with reduced hospital mortality in gram-negative infection

Introduction: Antimicrobial stewardship has an important role in the control of Clostridium difficile infection (CDI) and antibiotic resistance. An important component of UK stewardship interventions is the restriction of broad-spectrum beta-lactam antibiotics and promotion of agents associated with a lower risk of CDI such as gentamicin. Whilst the introduction of restrictive antibiotic guidance has been associated with improvements in CDI and antimicrobial resistance evidence of the effect on outcome following severe infection is lacking. Methods: In 2008, Glasgow hospitals introduced a restrictive antibiotic guideline. A retrospective before/after study assessed outcome following gram-negative bacteraemia in the 2-year period around implementation. Results: Introduction of restrictive antibiotic guidelines was associated with a reduction in utilisation of ceftriaxone and co-amoxiclav and an increase in amoxicillin and gentamicin. 1593 episodes of bacteraemia were included in the study. The mortality over 1 year following gram-negative bacteraemia was lower in the period following guideline implementation (RR 0.852, P = 0.045). There was no evidence of a difference in secondary outcomes including ITU admission, length of stay, readmission, recurrence of bacteraemia and need for renal replacement therapy. There was a fall in CDI (RR 0.571, P = 0.014) and a reduction in bacterial resistance to ceftriaxone and co-amoxiclav but no evidence of an increase in gentamicin resistance after guideline implementation. Conclusion: Restrictive antibiotic guidelines were associated with a reduction in CDI and bacterial resistance but no evidence of adverse outcomes following gram-negative bacteraemia. There was a small reduction in one year mortality

Finding qualitative research: an evaluation of search strategies

BACKGROUND: Qualitative research makes an important contribution to our understanding of health and healthcare. However, qualitative evidence can be difficult to search for and identify, and the effectiveness of different types of search strategies is unknown. METHODS: Three search strategies for qualitative research in the example area of support for breast-feeding were evaluated using six electronic bibliographic databases. The strategies were based on using thesaurus terms, free-text terms and broad-based terms. These strategies were combined with recognised search terms for support for breast-feeding previously used in a Cochrane review. For each strategy, we evaluated the recall (potentially relevant records found) and precision (actually relevant records found). RESULTS: A total yield of 7420 potentially relevant records was retrieved by the three strategies combined. Of these, 262 were judged relevant. Using one strategy alone would miss relevant records. The broad-based strategy had the highest recall and the thesaurus strategy the highest precision. Precision was generally poor: 96% of records initially identified as potentially relevant were deemed irrelevant. Searching for qualitative research involves trade-offs between recall and precision. CONCLUSIONS: These findings confirm that strategies that attempt to maximise the number of potentially relevant records found are likely to result in a large number of false positives. The findings also suggest that a range of search terms is required to optimise searching for qualitative evidence. This underlines the problems of current methods for indexing qualitative research in bibliographic databases and indicates where improvements need to be made