Accuracy of the QUAD4 thick shell element

The accuracy of the relatively new QUAD4 thick shell element is assessed via comparison with a theoretical solution for thick homogeneous and honeycomb flat simply supported plates under the action of a uniform pressure load. The theoretical thick plate solution is based on the theory developed by Reissner and includes the effects of transverse shear flexibility which are not included in the thin plate solutions based on Kirchoff plate theory. In addition, the QUAD4 is assessed using a set of finite element test problems developed by the MacNeal-Schwendler Corp. (MSC). Comparison of the COSMIC QUAD4 element as well as those from MSC and Universal Analytics, Inc. (UAI) for these test problems is presented. The current COSMIC QUAD4 element is shown to have excellent comparison with both the theoretical solutions and also those from the two commercial versions of NASTRAN that it was compared to

The influence of risk factors associated with captive rearing on post-release survival in translocated cirl buntings Emberiza cirlus in the UK

Population decline resulting from agricultural intensification led to contraction of the range of the cirl bunting Emberiza cirlus in the UK to a small area of south Devon. As part of the UK Biodiversity Action Plan for the species, a project to re-establish a population in suitable habitat in Cornwall was undertaken during 2006–2011, in which chicks were removed from the nest in Devon, hand-reared and then delayed-released. The survival of the birds to four time points in the year after release was analysed in relation to the effect of rearing factors, using a multivariable logistic regression model. Individuals with higher body weight at capture were more likely to survive to 1 January and 1 May in the year following release, and individuals released in June and July were more likely to survive than those released in August. Individuals released in 2006 and 2011 had a higher survival rate than those released during 2007–2010. Timing of capture, time spent at each stage in captivity, medication and the detection of parasites in the brood had no significant effect. Immunosuppressive disease, weather factors and predator activity may have led to some of the observed differences in survival. This analysis provides evidence with which to plan future translocation projects for cirl buntings and other passerine birds

Phase diagram of the Kondo necklace: a mean-field renormalization group approach

In this paper we investigate the magnetic properties of heavy fermions in the antiferromagnetic and dense Kondo phases in the framework of the Kondo necklace model. We use a mean field renormalization group approach to obtain a temperature versus Kondo coupling $(T-J)$ phase diagram for this model in qualitative agreement with Doniach's diagram, proposed on physical grounds. We further analyze the magnetically disordered phase using a two-sites approach. We calculate the correlation functions and the magnetic susceptibility that allow to identify the crossover between the spin-liquid and the local moment regimes, which occurs at a {\em coherence} temperature.Comment: 5 figure

Development of a behaviour change intervention: a case study on the practical application of theory

BACKGROUND: Use of theory in implementation of complex interventions is widely recommended. A complex trial intervention, to enhance self-management support for people with osteoarthritis (OA) in primary care, needed to be implemented in the Managing Osteoarthritis in Consultations (MOSAICS) trial. One component of the trial intervention was delivery by general practitioners (GPs) of an enhanced consultation for patients with OA. The aim of our case study is to describe the systematic selection and use of theory to develop a behaviour change intervention to implement GP delivery of the enhanced consultation. METHODS: The development of the behaviour change intervention was guided by four theoretical models/frameworks: i) an implementation of change model to guide overall approach, ii) the Theoretical Domains Framework (TDF) to identify relevant determinants of change, iii) a model for the selection of behaviour change techniques to address identified determinants of behaviour change, and iv) the principles of adult learning. Methods and measures to evaluate impact of the behaviour change intervention were identified. RESULTS: The behaviour change intervention presented the GPs with a well-defined proposal for change; addressed seven of the TDF domains (e.g., knowledge, skills, motivation and goals); incorporated ten behaviour change techniques (e.g., information provision, skills rehearsal, persuasive communication); and was delivered in workshops that valued the expertise and professional values of GPs. The workshops used a mixture of interactive and didactic sessions, were facilitated by opinion leaders, and utilised 'context-bound communication skills training.' Methods and measures selected to evaluate the behaviour change intervention included: appraisal of satisfaction with workshops, GP report of intention to practise and an assessment of video-recorded consultations of GPs with patients with OA. CONCLUSIONS: A stepped approach to the development of a behaviour change intervention, with the utilisation of theoretical frameworks to identify determinants of change matched with behaviour change techniques, has enabled a systematic and theory-driven development of an intervention designed to enhance consultations by GPs for patients with OA. The success of the behaviour change intervention in practice will be evaluated in the context of the MOSAICS trial as a whole, and will inform understanding of practice level and patient outcomes in the trial

Revealing solvent-dependent folding behaviour of mycolic acids from Mycobacterium tuberculosis by advanced simulation analysis

Mycobacterium tuberculosis remains a persistent pathogen, partly due to its lipid rich cell wall, of which mycolic acids (MAs) are a major component. The fluidity and conformational flexibilities of different MAs in the bacterial cell wall significantly influence its properties, function, and observed pathogenicity; thus, a proper conformational description of different MAs in different environments (e.g., in vacuum, in solution, in monolayers) can inform about their potential role in the complex setup of the bacterial cell wall. Previously, we have shown that molecular dynamics (MD) simulations of MA folding in vacuo can be used to characterize MA conformers in seven groupings relating to bending at the functional groups (W, U and Z-conformations). Providing a new OPLS-based forcefield parameterization for the critical cyclopropyl group of MAs and extensive simulations in explicit solvents (TIP4P water, hexane), we now present a more complete picture of MA folding properties together with improved simulation analysis techniques. We show that the ‘WUZ’ distance-based analysis can be used to pinpoint conformers with hairpin bends at the functional groups, with these conformers constituting only a fraction of accessible conformations. Applying principle component analysis (PCA) and refinement using free energy landscapes (FELs), we are able to discriminate a complete and unique set of conformational preferences for representative alpha-, methoxy- and keto-MAs, with overall preference for folded conformations. A control backbone-MA without any mero-chain functional groups showed significantly less folding in the mero-chain, confirming the role of functionalization in directing folding. Keto-MA showed the highest percentage of WUZ-type conformations and, in particular, a tendency to fold at its alpha-methyl trans-cyclopropane group, in agreement with results from Villeneuve et al. MAs demonstrate similar folding in vacuum and water, with a majority of folded conformations around the W-conformation, although the molecules are more flexible in vacuum than in water. Exchange between conformations, with a disperse distribution that includes unfolded conformers, is common in hexane for all MAs, although with more organization for Keto-MA. Globular, folded conformations are newly defined and may be specifically relevant in biofilms

Protoclusters associated with z > 2 radio galaxies. I. Characteristics of high redshift protoclusters

[Abridged] We present the results of a large program conducted with the Very Large Telescope and Keck telescope to search for forming clusters of galaxies near powerful radio galaxies at 2.0 < z < 5.2. We obtained narrow- and broad-band images of nine radio galaxies and their surroundings. The imaging was used to select candidate Lyman alpha emitting galaxies in ~3x3 Mpc^2 areas near the radio galaxies. A total of 337 candidate emitters were found with a rest-frame Lyman alpha equivalent width of EW_0 > 15 A and Sigma = EW_0/Delta EW_0 > 3. Follow-up spectroscopy confirmed 168 Lyman alpha emitters near eight radio galaxies. The success rate of our selection procedure is 91%. At least six of our eight fields are overdense in Lyman alpha emitters by a factor 3-5. Also, the emitters show significant clustering in velocity space. In the overdense fields, the width of the velocity distributions of the emitters is a factor 2-5 smaller than the width of the narrow-band filters. Taken together, we conclude that we have discovered six forming clusters of galaxies (protoclusters). We estimate that roughly 75% of powerful (L_2.7GHz > 10^33 erg/s/Hz/sr) high redshift radio galaxies reside in a protocluster, with a sizes of at least 1.75 Mpc. We estimate that the protoclusters have masses in the range 2-9 x 10^14 Msun and they are likely to be progenitors of present-day (massive) clusters of galaxies. For the first time, we have been able to estimate the velocity dispersion of cluster progenitors from z~5 to ~2. The velocity dispersion of the emitters increases with cosmic time, in agreement with the dark matter velocity dispersion in numerical simulations of forming massive clusters.Comment: 30 pages, 20 figures. Published in A&A. The article with high resolution figures is available at http://www.ast.cam.ac.uk/~venemans/research/datapaper/index.htm

Recovering the Primordial Density Fluctuations: A comparison of methods

We present a comparative study of six different methods for reversing the gravitational evolution of a cosmological density field to recover the primordial fluctuations: linear theory, the Gaussianization mapping scheme, two different quasi-linear dynamical schemes based on the Zel'dovich approximation, a Hybrid dynamical-Gaussianization method and the Path Interchange Zel'dovich Approximation (PIZA). The final evolved density field from an N-body simulation constitutes our test case. We use a variety of statistical measures to compare the initial density field recovered from it to the true initial density field, using each of the six different schemes. These include point-by-point comparisons of the density fields in real space, the individual modes in Fourier space, as well as global statistical properties such as the genus, the PDF of the density, and the distribution of peak heights and their shapes. We find linear theory to be the most inaccurate of all the schemes. The Gaussianization scheme is the least accurate after linear theory. The two quasi-linear dynamical schemes are more accurate than Gaussianization, although they break down quite drastically when used outside their range of validity - the quasi-linear regime. The complementary beneficial aspects of the dynamical and the Gaussianization schemes are combined in the Hybrid method. We find this Hybrid scheme to be more accurate and robust than either Gaussianization or the dynamical method alone. The PIZA scheme performs substantially better than the others in all point-by-point comparisons. However, it produces an oversmoothed initial density field, with a smaller number of peaks than expected, but recovers the PDF of the initial density with impressive accuracy on scales as small as 3Mpc/h.Comment: 39 pages, including 13 Figures, submitted to Ap

Relation between Skin Pharmacokinetics and Efficacy in AmBisome Treatment of Murine Cutaneous Leishmaniasis

AmBisome® (LAmB), a liposomal formulation of amphotericin B (AmB), is a second-line treatment for the parasitic skin disease cutaneous leishmaniasis (CL). Little is known about its tissue distribution and pharmacodynamics to inform clinical use in CL. Here, we compared the skin pharmacokinetics of LAmB with Fungizone® (DAmB), the deoxycholate form of AmB, in murine models of Leishmania major CL. Drug levels at the target site (the localized lesion) 48 hours after single intravenous (IV) dosing of the individual AmB formulations (1 mg/kg of body weight) were similar, but were 3-fold higher for LAmB than for DAmB on day 10 after multiple administrations (1 mg/kg on days 0, 2, 4, 6 and 8). After single and multiple dosing, intralesional concentrations were respectively 5- and 20-fold higher compared to those in the healthy control skin of the same infected mice. We then evaluated how drug levels in the lesion after LAmB treatment relate to therapeutic outcomes. After five administrations of the drug at 0, 6.25 or 12.5 mg/kg (IV), there was a clear correlation between dose level, intralesional AmB concentration and relative reduction in parasite load and lesion size (R2 values > 0.9). This study confirms the improved efficacy of the liposomal over the deoxycholate AmB formulation in experimental CL, which is related to higher intralesional drug accumulation

Cosmological Limits on the Neutrino Mass from the Lya Forest

The Lya forest in quasar spectra probes scales where massive neutrinos can strongly suppress the growth of mass fluctuations. Using hydrodynamic simulations with massive neutrinos, we successfully test techniques developed to measure the mass power spectrum from the forest. A recent observational measurement in conjunction with a conservative implementation of other cosmological constraints places upper limits on the neutrino mass: m_nu < 5.5 eV for all values of Omega_m, and m_nu < 2.4 (Omega_m/0.17 -1) eV, if 0.2 < Omega_m <0.5 as currently observationally favored (both 95 % C.L.).Comment: 4 pages, 2 ps figures, REVTex, submitted to Phys. Rev. Let

Differential spontaneous folding of mycolic acids from Mycobacterium tuberculosis

AbstractMycolic acids are structural components of the mycobacterial cell wall that have been implicated in the pathogenicity and drug resistance of certain mycobacterial species. They also offer potential in areas such as rapid serodiagnosis of human and animal tuberculosis. It is increasingly recognized that conformational behavior of mycolic acids is very important in understanding all aspects of their function. Atomistic molecular dynamics simulations, in vacuo, of stereochemically defined Mycobacterium tuberculosis mycolic acids show that they fold spontaneously into reproducible conformational groupings. One of the three characteristic mycolate types, the keto-mycolic acids, behaves very differently from either α-mycolic acids or methoxy-mycolic acids, suggesting a distinct biological role. However, subtle conformational behavioral differences between all the three mycolic acid types indicate that cooperative interplay of individual mycolic acids may be important in the biophysical properties of the mycobacterial cell envelope and therefore in pathogenicity