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The technique of Doppler-resolved laser-induced fluorescence spectroscopy has been employed to study the scalar and vector properties of fragments generated via photodissociation of two large polyatomic molecules, tert-butyl nitrite excited into its S2 state at 250 nm and tert-butyl hydroperoxide photolyzed at 248 nm into its first absorption continuum. Experiments on the former system confirm the planar nature of the dissociation, which generates NO fragments with vNO ⊥ JNO, and the A′ symmetry of the parent molecular S2 state. For tert-butyl hydroperoxide, the energy disposal in the OH fragments is similar to that found for H2O2 photolyzed at 248 nm, but both β, the OH fragment translational anisotropy, and β00(22), the (vOH,JOH) correlation, are significantly smaller than for H2O2. These differences (and others) in the photofragment vector properties are discussed in terms of changes in the kinematics and the potential energy surfaces for the two systems. In particular the low translational anisotropy found in tert-butyl hydroperoxide can be explained in terms of angle bending, leading to "slingshot" photodissociation dynamics. © 1988 American Chemical Society.

Doppler resolved, laser induced fluorescence spectroscopy has been established as a powerful probe for determining scalar energy distributions among primary photofragments. Measurements of the sensitivity to alternative excitation-detection beam geometries and polarisations and the choice of the monitored rotational features, P, R or Q has now made LIF probing even more powerful, by revealing additional information on their momentum distributions. These are expressed in terms of a family of vector correlations: the translational anisotropy, the rotational alignment and the helicity. – New data are presented and analysed for three archetypal systems, H2O2, HONO2, (CH3)3COOH, each of which presents totally featureless U.-V. absorption continua. Doppler resolved LIF spectroscopy of the recoiling OH fragments generated by laser photodissociation at 248 nm (H2O2, (CH3)3COOH) or 280 nm (HONO2) is used to assign the electronic transitions, the structural changes which follow excitation, and their influence on the intramolecular dynamics involved in the photodissociation process.

Mixed methods research designs have been growing in popularity in the accounting literature (Brown & Brignall, 2007; Kakkuri-Knuuttila, Lukka, & Kuorikoski, 2008b; Lee, 1991; Modell, 2005, 2010; Vaivio & Siren, 2010). Accounting draws theoretical and methodological inspiration from multiple disciplines (mathematics, economics, sociology, organizational studies, behavioral science, etc.) to investigate complex organizational transactions. Brown and Brignall (2007) suggest that this multi-disciplinary characteristic makes accounting studies ideal candidates for multi-method research designs. Following this reasoning, climate change accounting and other alternative accounting research which incorporate an additional multi-disciplinary dimension are supremely suited to the use of mixed methods. Researchers in these fields have responded accordingly: "The social and environmental and critical accounting research communities are known to embrace methodological pluralism and inter-disciplinary perspectives on accounting" (Milne & Grubnic, 2011, p. 950). However, the use and usefulness of mixed methods has been the subject of academic debate (Ahrens, 2008; Bryman, 2007; Kakkuri-Knuuttila, Lukka, & Kuorikoski, 2008a; Parker, 2012). Primary criticisms stem from a presumed incommensurability between quantitative and qualitative approaches due to an underlying philosophical gap. Quantitative and qualitative studies are commonly equated with positivism and interpretivism respectively; these approaches are said to hold fundamentally distinct underlying assumptions and agendas. Attempting to bring together evidence from these different perspectives is thus viewed by some as an impossible pursuit (see Teddlie & Yu (2007) and Santiago-Brown, Jerram, Metcalfe, & Collins (2014) for exceptions). Academic researchers are often clustered into disparate camps and publish in separate journals promoting their preferred paradigm. Since accounting has traditionally favored quantitative positivist research, Parker (2012, p. 61) warns of the "romance of objectivising qualitative research" to validate findings. Though qualitative research can and should stand on its own merits, integrating different methods can be beneficial. As Kakkuri-Knuuttila et al. (2008b) demonstrate, in practice divergent paradigms can co-exist and co-operate; straddling the subjective/objective divide is possible. Mixed methods can involve multiple researchers, data sets, methodologies, and/or theories. (1) The term usually implies integration of quantitative and qualitative dimensions (Johnson, Onwuegbuzie, & Turner, 2007). Application of both quantitative and qualitative methodologies can yield assessable statistical results as well as in-depth contextually grounded understanding of underlying processes and relationships. The components must be mutually illuminating to ensure that "the end product is more than the sum of the individual quantitative and qualitative parts" (Bryman, 2007). Thus, integration is essential. Without it, the research design becomes simply a collection of methods that might "talk past" each other (Brown & Brignall, 2007). In her editorial "Mixed Methods and Wicked Problems," Mertens (2015) highlights the merit of mixed methods in pursuing solutions to complex problems such as climate change. As the author explains, wicked problems like climate change "involve multiple interacting systems, are replete with social and institutional uncertainties, and for which only imperfect knowledge about their nature and solutions exist" (p. 3). Indeed, climate change has the potential to significantly alter the world as we know it in terms of both the environment and the way in which societies operate. In response, and in a variety of ways, organisations are taking notice and taking action (e.g., Besio & Pronzini, 2014; Birchall, 2014; Galbreath, Charles, & Klass, 2014; Lee, 2012), including engaging in the voluntary carbon market (VCM). …

We have characterized CoCrMo, Metal-on-Metal (MoM) implant, wear debris particles and their dissolution following cycling in a hip simulator, and have related the results to the tribocorrosion of synthetic wear debris produced by milling CoCrMo powders in solutions representative of environments in the human body. Importantly, we have employed a modified ICP-MS sample preparation procedure to measure the release of ions from CoCrMo alloys during wear simulation in different media; this involved use of nano-porous ultrafilters which allowed complete separation of particles from free ions and complexes in solution. As a result, we present a new perspective on the release of metal ions and formation of metal complexes from CoCrMo implants. The new methodology enables the mass balance of ions relative to complexes and particles during tribocorrosion in hip simulators to be determined. A much higher release of molybdenum ions relative to cobalt and chromium has been measured. The molybdenum dissolution was enhanced by the presence of bovine serum albumin (BSA), possibly due to the formation of metal-protein complexes. Overall, we believe that the results could have significant implications for the analysis and interpretation of metal ion levels in fluids extracted from hip arthroplasty patients; we suggest that metal levels, including molybdenum, be analysed in these fluids using the protocol described here. Statement of Significance We have developed an important new protocol for the analysis of metal ion levels in fluids extracted from hip implant patients and also hip simulators. Using this procedure, we present a new perspective on the release of metal ions from CoCrMo alloy implants, revealing significantly lower levels of metal ion release during tribocorrosion in hip simulators than previously thought, combined with the release of much higher percentages of molybdenum ions relative to cobalt and chromium. This work is of relevance, both from the perspective of the fundamental science and study of metal-protein interactions, enabling understanding of the ongoing problem associated with the biotribocorrosion and the link to inflammation associated with Metal-on-Metal (MoM) hip implants made from CoCrMo alloys.

Purpose To quantify the concentration of heat shock proteins in lenses in lens organ culture at elevated temperatures, and to examine the relation between elevated temperature and lens clarity. Methods Pig lenses obtained from a local abattoir were dissected aseptically and incubated in medium M199 without serum for 4 days to stabilize, and lenses with protein leakage of less than 10 mg/l were obtained for heat shock exposure. Heat shock was performed by incubation for 1 h in M199 without serum at various temperatures ranging from 37 °C to 55 °C. After incubation for 24 h, cataract blurring of the images was assessed using Scantox™ and Scion Image analysis of the lens photographs. Lens homogenates were subsequently analyzed for Hsp70 and Hsp27 with western blotting. Results The degree of cataract blurring of the images increased with increasing temperature, but the two functional measures provided different results. Focal length inconsistency, as assessed with the back vertex distance standard error of the mean (BVD SEM; the variability in focal lengths measured at 20 equally spaced locations across the lens, Scantox™), increased nearly linearly with the heat treatment temperature. In contrast, decreased clarity, evident by a fuzzy image with lower contrast, was not markedly altered as the temperature rose until a threshold of approximately 47.5 °C. The inducible isoform of the Hsp70 family (Hsp70) of heat shock proteins was increased at all temperatures above the control except those above 50 °C. Changes in Hsp27 were less clear as the protein content increased only at the incubation temperatures of 39 °C and 48.5 °C. Conclusions The porcine lens demonstrates subtle changes in the variability of the focal length, and the variability increases as the incubation temperature rises. In contrast, lens clarity is relatively stable at temperatures up to 47.5 °C, above which dramatic changes, indicative of the formation of cataracts, occur. The lens content of Hsp70 was elevated in lenses exposed to heat shock only up to 50 °C. These data suggest that in a stressful environment, Hsp70 may be associated with protection against loss of clarity. In addition, the functional measures BVD SEM and clarity assess different qualities of the lens, with the former likely more sensitive to subtle changes in the protein structure.

© 2014 Australian College of Nursing Ltd. Background: Effective nursing leadership is necessary for the delivery of safe, high quality healthcare. Yet experience and research tells us that nursing leaders are commonly unprepared for their roles. Take The Lead (TTL), a large-scale, multifaceted professional development program was initiated in New South Wales, Australia, to strengthen the capacity of Nursing/Midwifery Unit Managers (N/MUMs). The aim of this study was to examine the effects of TTL on job performance, nursing leadership and patient experience. Methods: Nursing/Midwifery Unit Managers (n = 30) and managers of N/MUMs (n = 30) who had completed the TTL program were interviewed between August and December 2010. The semi-structured interviews included a combination of open-ended questions and questions that required respondents to rate statements using a Likert scale. Data from the open-ended questions were thematically analysed to identify and categorise key concepts. The responses to the Likert items were analysed via descriptive statistics. Results: Nursing/Midwifery Unit Managers' participation in TTL engendered improvements in job performance and leadership skills, as well as some improvement in patients' experiences of care. The program facilitated role clarification and helped foster peer-support and learning networks, which were perceived to provide ongoing professional and personal benefits to participants. Conclusions: Our study revealed a consensus about the beneficial outcomes of TTL among those involved with the program. It supports the significant and ongoing value of widely implemented, multifaceted nursing leadership development programs and demonstrates that participants value their informal interactions as highly as they do the formal content. These findings have implications for delivery mode of similar professional development programs.

X-ray techniques have evolved over decades to become highly refined tools for a broad range of investigations. Importantly, these approaches rely on X-ray measurements that depend linearly on the number of incident X-ray photons. The advent of X-ray free electron lasers (XFELs) is opening the ability to reach extremely high photon numbers within ultrashort X-ray pulse durations and is leading to a paradigm shift in our ability to explore nonlinear X-ray signals. However, the enormous increase in X-ray peak power is a double-edged sword with new and exciting methods being developed but at the same time well-established techniques proving unreliable. Consequently, accurate knowledge about the threshold for nonlinear X-ray signals is essential. Herein we report an X-ray spectroscopic study that reveals important details on the thresholds for nonlinear X-ray interactions. By varying both the incident X-ray intensity and photon energy, we establish the regimes at which the simplest nonlinear process, two-photon X-ray absorption (TPA), can be observed. From these measurements we can extract the probability of this process as a function of photon energy and confirm both the nature and sub-femtosecond lifetime of the virtual intermediate electronic state., Scientific Reports, 6, ISSN:2045-2322

Background Interleukin (IL)-17 is a pro-inflammatory cytokine with pro- and antitumour effects. The aim of this study was to investigate the presence and potential sources of IL-17 in oral squamous cell carcinoma (OSCC). Methods Immunohistochemistry was used to label and compare IL-17+ cells in the tissue sections of OSCC and inflammatory controls (IC), n = 14 for both. In OSCC, the comparison was made between the number of IL-17+ cells in the tumoral islands (TI), tumour–stroma interface (TS) and more distant stroma (DS). Cells expressing IL-17 were identified using double-labelling immunofluorescence and examined using laser scanning microscopy. The production of IL-17 from tumour cells was determined in the culture supernatants of OSCC cell lines, SCC4, SCC15 and SCC25, using sandwich ELISA. Results Significantly more IL-17+ cells were observed in OSCC compared with IC (Mann–Whitney, P 0.05). However, the TI had significantly fewer IL-17+ cells than the combined stroma (both TS and DS together, Mann–Whitney, P < 0.01). Laser scanning microscopy revealed helper T cells, cytotoxic T cells, macrophages and mast cells co-expressed IL-17. ELISA experiments did not detect IL-17 in the supernatants of OSCC cell lines. Conclusions Although the tumour cells themselves did not express IL-17, a range of cell types did, suggesting multiple cellular sources for IL-17 in OSCC. The spatial distribution of IL-17+ cells suggests specific interactions with cells within the tumour microenvironment, implying that IL-17+ cells are likely to play a role in the pathogenesis of OSCC.

Background There are numerous methods for adjusting measured concentrations of urinary biomarkers for hydration variation. Few studies use objective criteria to quantify the relative performance of these methods. Our aim was to compare the performance of existing methods for adjusting urinary biomarkers for hydration variation. Methods Creatinine, osmolality, excretion rate (ER), bodyweight adjusted ER (ERBW) and empirical analyte-specific urinary flow rate (UFR) adjustment methods on spot urinary concentrations of lead (Pb), cadmium (Cd), non-arsenobetaine arsenic (AsIMM) and iodine (I) from the US National Health and Nutrition Examination Survey (NHANES) (2009–2010 and 2011–2012) were evaluated. The data were divided into a training dataset (n = 1,723) from which empirical adjustment coefficients were derived and a testing dataset (n = 428) on which quantification of the performance of the adjustment methods was done by calculating, primarily, the correlation of the adjusted parameter with UFR, with lower correlations indicating better performance and, secondarily, the correlation of the adjusted parameters with blood analyte concentrations (Pb and Cd), with higher correlations indicating better performance. Results Overall performance across analytes was better for Osmolality and UFR based methods. Excretion rate and ERBW consistently performed worse, often no better than unadjusted concentrations. Conclusions Osmolality adjustment of urinary biomonitoring data provides for more robust adjustment than either creatinine based or ER or ERBW methods, the latter two of which tend to overcompensate for UFR. Modified UFR methods perform significantly better than all but osmolality in removing hydration variation, but depend on the accuracy of UFR calculations. Hydration adjustment performance is analyte-specific and further research is needed to establish a robust and consistent framework. Electronic supplementary material The online version of this article (doi:10.1186/s12940-016-0152-x) contains supplementary material, which is available to authorized users.

We have performed femtosecond X-ray spectroscopy measurements after UV photoexcitation of a colloidal solution of ZnO nanoparticles. The results indicate sub-ps hole trapping at oxygen vacancies with shallowly-trapped electrons in the conduction band.

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) is a powerful method to determine high-resolution structures of pharmaceutically relevant membrane proteins. Recently, the technology has been adapted to carry out serial millisecond crystallography (SMX) at synchrotron sources, where beamtime is more abundant. In an injector-based approach, crystals grown in lipidic cubic phase (LCP) or embedded in viscous medium are delivered directly into the unattenuated beam of a microfocus beamline. Pilot experiments show the application of microjet-based SMX for solving the structure of a membrane protein and compatibility of the method with de novo phasing. Planned synchrotron upgrades, faster detectors and software developments will go hand-in-hand with developments at free-electron lasers to provide a powerful methodology for solving structures from microcrystals at room temperature, ligand screening or crystal optimization for time-resolved studies with minimal or no radiation damage.

SwissFEL is a free electron laser facility for hard and soft X-rays at the Paul Scherrer Institut in Switzerland. The first hard X-ray FEL named ARAMIS will deliver photons in the wavelength range from 1 A to 7 A in up to three beamlines alternatively. The beamlines are equipped with crystal monochromators, cover the full wavelength range and offer a variety of operational modes.

Many sailing-ship mariners lived in boarding houses while on shore, and the worst of these became a target for charitable and state reformers. Institutions such as Sailors’ Homes and religious missions created a prominent and often intimidating built environment in the old sailortown districts. They only ever attracted a minority of seafarers, however, and many mariners resisted being moulded into a particular version of masculinity, bread-winning and responsibility. With the rise of steamships, increasing numbers of seafarers set up their own households, although this did not solve all the challenges facing their wives and families. Others formed pragmatic relationships with women known as ‘sailor’s wives’, who offered homes in port to a succession of mariners over time, while further complicating sailortown’s image and representation.

Sailortown was an early focus of the surveillance state, which created documentation regimes and tried to regulate accommodation, drink and prostitution. The international mobility of seafarers challenged nation states to address questions of jurisdiction and authority over each other’s subjects. The British state in particular extended its global information-gathering systems by having to monitor the world’s largest merchant fleet. State intervention intensified further with the late-century rise of nationalistic ideologies, and black seafarers in particular were subject to increasing levels of documentary scrutiny. States also intervened in the public health of waterfront districts, inevitably intruding into issues of morality and sexuality because of the prominence of venereal diseases in medical assumptions about the health of seafarers and women working in prostitution.

Crimps were convenient bogeymen who personified the evils of sailortown. Mostly boarding-house keepers, but sometimes tailors, bar-owners or brothel-keepers, crimps exploited seafarers’ lump-sum wages and desire for entertainment and home comforts. Over time, crimps diversified into crew recruitment, seeking fees from ships’ captains and controlling labour markets. Crimping could be a sophisticated process of control, surveillance and exploitation, and seafarers responded with a mixture of resistance, acceptance and even enthusiasm, when the crimp seemed to be opposing the interests of captains and shipowners. Crimps had an advanced spatial awareness of the need to contact the seafarer at the earliest possible opportunity—usually before the ship had landed—and then closely define and control the spaces that the seaman occupied on shore.

The classic sailortown declined with the age of sail, and the dominance of steamships in the early twentieth century undermined the old economics of crimping. But wartime dislocations revived old sailortown problems of transience and insecurity, provoking an inter-war building boom in missions, hostels and clinics that raised the standard of support available to visiting seafarers in most major ports. At the same time, however, the old sailortown districts were increasingly defined racially, as the descendants of black seafarers struggled to escape the waterfront and its outdated and irrelevant stereotypes. Regeneration projects from the 1980s created new waterfronts that often incorporated elements of imagined sailortowns, while further marginalising residents of the poorer districts a little way inland.

The entanglement between the seafarer and the shipping industry was at the heart of sailortown. This chapter analyses the representation and self-image of the seafarer, and the danger and fragility of maritime work. This was a time of extreme economic and industrial disruption, as the seafaring workforce made the transition from sail to steam. The national and ethnic diversity of maritime labour increased, while sailing-ship mariners became ever-more marginalised. Although often envied for their freedom, seamen faced harsh labour laws and could be imprisoned for breaking their contracts. The expendable, footloose image of the seafarer set much of the tone for exploitative, controlling relationships with employers, and with individuals and institutions on shore.

Seafarers came ashore into a culture of threat, exploitation and violence, but also one of spectacle, opportunity and liberty. They celebrated with flamboyant spending on drink, entertainment, clothes and prostitution. A waterfront economy of consumption, leisure, vice and crime grew up around them. The theatricality of waterfront streets, bars and dance halls challenged ideas of public order, and proper class and gender roles. Sailortown exhibited a strange kind of cosmopolitanism, influenced both by the trans-national maritime labour force and by the dominance of British merchant shipping on most major trade routes. For all those layers of symbolism and imagination, these were also physical places where some seafarers suffered real harm, and that reality drove half a century of commentary and reform effort.

Background.A loss of mucosal tolerance to the resident microbiome has been postulated in the aetiopathogenesis of spondyloarthritis, thus the purpose of these studies was to investigate microbial communities that colonise the oral cavity of patients with axial spondyloarthritis (AxSpA) and to compare these with microbial profiles of a matched healthy population.Methods.Thirty-nine participants, 17 patients with AxSpA and 22 age and gender-matched disease-free controls were recruited to the study. For patients with AxSpA, disease activity was assessed using the Bath Ankylosing Spondylitis Disease Activity Index (BASDAI). All participants underwent a detailed dental examination to assess oral health, including the presence of periodontal disease assessed using probing pocket depth (PPD). Plaque samples were obtained and their bacterial populations were profiled using Ion Torrent sequencing of the V6 region of the 16S rRNA gene.Results.Patients with AxSpA had active disease (BASDAI 4.1 ± 2.1 [mean ± SD]), and a significantly greater prevalence of periodontitis (PPD ≥ 4 mm at ≥4 sites) than controls. Bacterial communities did not differ between the two groups with multiple metrics ofαandβdiversity considered. Analysis of operational taxonomic units (OTUs) and higher levels of taxonomic assignment did not provide strong evidence of any single taxa associated with AxSpA in the subgingival plaque.Discussion.Although 16S rRNA gene sequencing did not identify specific bacterial profiles associated with AxSpA, there remains the potential for the microbiota to exert functional and metabolic influences in the oral cavity which could be involved in the pathogenesis of AxSpA.

As malaria is being pushed back on many frontiers and global case numbers are declining, accurate measurement and prediction of transmission becomes increasingly difficult. Low transmission settings are characterised by high levels of spatial heterogeneity, which stands in stark contrast to the widely used assumption of spatially homogeneous transmission used in mathematical transmission models for malaria. In the present study an individual-based mathematical malaria transmission model that incorporates multiple parasite clones, variable human exposure and duration of infection, limited mosquito flight distance and most importantly geographically heterogeneous human and mosquito population densities was used to illustrate the differences between homogeneous and heterogeneous transmission assumptions when aiming to predict surrogate indicators of transmission intensity such as population parasite prevalence or multiplicity of infection (MOI). In traditionally highly malaria endemic regions where most of the population harbours malaria parasites, humans are often infected with multiple parasite clones. However, studies have shown also in areas with low overall parasite prevalence, infection with multiple parasite clones is a common occurrence. Mathematical models assuming homogeneous transmission between humans and mosquitoes cannot explain these observations. Heterogeneity of transmission can arise from many factors including acquired immunity, body size and occupational exposure. In this study, we show that spatial heterogeneity has a profound effect on predictions of MOI and parasite prevalence. We illustrate, that models assuming homogeneous transmission underestimate average MOI in low transmission settings when compared to field data and that spatially heterogeneous models predict stable transmission at much lower overall parasite prevalence. Therefore it is very important that models used to guide malaria surveillance and control strategies in low transmission and elimination settings take into account the spatial features of the specific target area, including human and mosquito vector distribution.

To have a >50% chance of limiting warming below 2 degrees C, most recent scenarios from integrated assessment models (IAMs) require large-scale deployment of negative emissions technologies (NETs). These are technologies that result in the net removal of greenhouse gases from the atmosphere. We quantify potential global impacts of the different NETs on various factors (such as land, greenhouse gas emissions, water, albedo, nutrients and energy) to determine the biophysical limits to, and economic costs of, their wiespread application. Resource implications vary between technologies and need to be satisfactorily addressed if NETs are to have a significant role in achieving climate goals.

Ultrafast X-ray techniques serve as a direct probe of a long-lived pseudo-octahedral high-valent iron(V) complex. Its photo-induced formation from an azido-iron(III) precursor is observed in real-time with sub-picosecond resolution at SACLA XFEL.

This paper provides a critical introduction to the issue about Analyzing the quality, meaning and accountability of organizational reporting and communication. The present paper begins by addressin...

Static and time-resolved X-ray absorption spectroscopy (XAS) is used to probe the solvent shell structure around iodide and iodine. In particular, we characterize the changes observed upon electron abstraction of aqueous iodide, which reflects the transition from hydrophilic to hydrophobic solvation after impulsive electron abstraction from iodide. The static spectrum of aqueous iodide, which is analyzed using quantum mechanical/molecular mechanics (QM/MM) molecular dynamics (MD) simulations, indicates that the hydrogens of the closest water molecules point toward the iodide, as expected for hydrophilic solvation. In addition, these simulations demonstrate a small anisotropy in the solvent shell. Following electron abstraction, most of the water molecules move away from iodine, while one comes closer to form a complex with it that survives for 3–4 ps. This lifetime is governed by the reorganization of the main solvation shell, basically the time it takes for the water molecules to reform a hydrogen bond network in the hydrophobic solvation shell.

The purpose of the present study was to examine changes in VO2peak, VO2 kinetics and steady-state exercise performance following 4 weeks of participation in recreational sport. Subjects (male n = 8, female n = 9) participated in recreational sport (basketball, floor hockey and soccer) four times per week for 4 weeks. Both before and after training, VO2peak was measured on a cycle ergometer, VO2 kinetics was determined as the average of three transitions to 80 W, and heart rate (HR) and respiratory exchange ratio (RER) were measured during 60 min at a work rate corresponding to 50 % of pre-training VO2peak. HR was also monitored during all training sessions. After training, VO2peak was increased in females, but not males, while VO2 kinetics (τVO2) were sped in both males and females. HR during constant load exercise was reduced in both males and females, but exercise RER was only reduced in females. Mean HR during participation in sport was higher in males than females and higher during basketball than both floor hockey and soccer. These results demonstrate that training adaptations traditionally associated with endurance exercise can also be obtained through regular participation in recreational sport.

Aims: To estimate the annual mortality and the cost of hospital admissions for acute rheumatic fever (ARF) and rheumatic heart disease (RHD) for New Zealand residents. Methods: Hospital admissions in 2000–2009 with a principal diagnosis of ARF or RHD (ICD9_AM 390-398; ICD10-AM I00-I099) and deaths in 2000–2007 with RHD as the underlying cause were obtained from routine statistics. The cost of each admission was estimated by multiplying its diagnosis-related group (DRG) cost weight by the national price for financial year 2009/2010. Results: There were on average 159 RHD deaths each year with a mean annual mortality rate of 4.4 per 100 000 (95% confidence limit 4.2, 4.7). Age-adjusted mortality was five- to 10-fold higher for Māori and Pacific peoples than for non-Māori/Pacific. The mean age at RHD death (male/female) was 56.4/58.4 for Māori, 50.9/59.8 for Pacific and 78.2/80.6 for non-Māori, non-Pacific men and women. The average annual DRG-based cost of hospital admissions in 2000–2009 for ARF and RHD across all age groups was $12.0 million (95% confidence limit $11.1 million, $12.8 million). Heart valve surgery accounted for 28% of admissions and 71% of the cost. For children 5–14 years of age, valve surgery accounted for 7% of admissions and 27% of the cost. Two-thirds of the cost occurs after the age of 30. Conclusions: ARF and RHD comprise a burden of mortality and hospital cost concentrated largely in middle age. Māori and Pacific RHD mortality rates are substantially higher than those of non-Māori/Pacific.

Aim: To estimate acute rheumatic fever (ARF) incidence rates for New Zealand children and youth by ethnicity, socioeconomic deprivation and region. Methods: National hospital admissions with a principal diagnosis of ARF (ICD9_AM 390-392; ICD10-AM I00-I02) were obtained from routine statistics and stratified by age, ethnicity, socioeconomic deprivation index (NZDep2006) and District Health Board (DHB). Results: The mean incidence rate for ARF in 2000–2009 peaked at 9 to 12 years of age. Incidence rates for children 5 to 14 years of age for Māori were 40.2 (95% confidence interval 36.8, 43.8), Pacific 81.2 (73.4, 89.6), non-Māori/Pacific 2.1 (1.6, 2.6) and all children 17.2 (16.1, 18.3) per 100 000. Māori and Pacific incidence rates increased by 79% and 73% in 1993–2009, while non-Māori/Pacific rates declined by 71%. Overall rates increased by 59%. In 2000–2009, Māori and Pacific children comprised 30% of children 5–14 years of age but accounted for 95% of new cases. Almost 90% of index cases of ARF were in the highest five deciles of socioeconomic deprivation and 70% were in the most deprived quintile. A child living in the most deprived decile has about one in 150 risk of being admitted to the hospital for ARF by 15 years of age. Ten DHBs containing 76% of the population 5 to 14 years of age accounted for 94% of index cases of ARF. Conclusions: ARF with its attendant rheumatic heart disease is an increasing public health issue for disadvantaged North Island communities with high concentrations of Māori and/or Pacific families.

This paper describes a custom operational research algorithm, which is run nightly by IBM to create a material requirements plan for its semiconductor fabrication facility in Vermont, USA. To model alternative manufacturing processes and part substitutions, this application interweaves linear programming and heuristic methods to reap the benefits of each decision technology. At each level of the bills of materials supply chain with complex decision choices to be made, parallel linear programmes are invoked and their results are fed into a material requirements planning (MRP) heuristic, which processes parts through multiple iterations. The results from processing one level of the bills of materials supply chain are exploded to create demand for the next level and the interweaving of the two decision technologies continues. The algorithm creates recommended manufacturing releases and work-in-process priorities. These outputs point out opportunities for improvement in order to satisfy all demands on time. The output can be interpreted with well-known MRP assumptions.

Summary Oral lichen planus (OLP) is a complex immunological disorder, mediated in part by the release of cytokines from activated T-cells. Of late, two closely related T-helper (Th) cell subsets; regulatory T-cells (Tregs; FoxP3 + ) and Th17 cells (IL17 + ) have been described in various chronic inflammatory diseases. The aim of this study was to determine the expression of FoxP3 and IL17 in OLP using immunohistochemistry (IHC) and quantitative real-time reverse transcriptase polymerase chain reaction (qPCR). For IHC, formalin fixed, paraffin embedded archival specimens, an OLP group ( n =10) and a non-specific inflammatory (NSI) control group ( n =9) were used. In addition, 12 fresh tissue samples were used to determine gene expression of FoxP3 and IL17. Significantly more FoxP3 + cells were present in OLP than in NSI. IL17 + cells were significantly more frequent in the control tissues than in OLP. The gene expression experiments revealed a significantly higher expression of FoxP3 in OLP when compared to the controls. IL17 gene expression was not different between the groups. Double labelling immunofluorescence indicated co-localisation of IL17 with tryptase + mast cells. These findings suggest FoxP3 + Tregs have a more prominent role in the pathogenesis of OLP when compared to IL17 + cells.

Building accurate predictive models for biological data sets from next-generation high-throughput data sources is essential to bioinformatics. However, confounding variables such as sex, age, and habitat can skew the results of such models, leading to biased and inaccurate results. While Li et. al have developed a confounder-correcting framework for Support Vector Machines (SVMs) [1], there is no such method available for machine learning algorithms suited for high-dimensional data sets with small sample sizes (d≫n). We have extended Li et. al's confounder-correcting (cc) algorithm (ccSVM) to allow Kernel Orthogonal Projections to Latent Structures (KOPLS) to explicitly account for confounding factors. We demonstrate that our novel method complements and improves the accuracy of a non-cc KOPLS with implicit orthogonal signal correction. Finally, we show that ccKOPLS is better suited to high-dimensionality data sets than ccSVM.

Introduction: Point of care ultrasound (PoCUS) has become an established tool in the initial management of patients with undifferentiated hypotension in the emergency department (ED). Current established protocols (e.g. RUSH and ACES) were developed by expert user opinion, rather than objective, prospective data. Recently the SHoC Protocol was published, recommending 3 core scans; cardiac, lung, and IVC; plus other scans when indicated clinically. We report the abnormal ultrasound findings from our international multicenter randomized controlled trial, to assess if the recommended 3 core SHoC protocol scans were chosen appropriately for this population. Methods: Recruitment occurred at seven centres in North America (4) and South Africa (3). Screening at triage identified patients (SBP1) who were randomized to PoCUS or control (standard care with no PoCUS) groups. All scans were performed by PoCUS-trained physicians within one hour of arrival in the ED. Demographics, clinical details and study findings were collected prospectively. A threshold incidence for positive findings of 10% was established as significant for the purposes of assessing the appropriateness of the core recommendations. Results: 138 patients had a PoCUS screen completed. All patients had cardiac, lung, IVC, aorta, abdominal, and pelvic scans. Reported abnormal findings included hyperdynamic LV function (59; 43%); small collapsing IVC (46; 33%); pericardial effusion (24; 17%); pleural fluid (19; 14%); hypodynamic LV function (15; 11%); large poorly collapsing IVC (13; 9%); peritoneal fluid (13; 9%); and aortic aneurysm (5; 4%). Conclusion: The 3 core SHoC Protocol recommendations included appropriate scans to detect all pathologies recorded at a rate of greater than 10 percent. The 3 most frequent findings were cardiac and IVC abnormalities, followed by lung. It is noted that peritoneal fluid was seen at a rate of 9%. Aortic aneurysms were rare. This data from the first RCT to compare PoCUS to standard care for undifferentiated hypotensive ED patients, supports the use of the prioritized SHoC protocol, though a larger study is required to confirm these findings.

A mechanical polishing technique is demonstrated for the effective removal of the interfacial region of a lead zirconate titanate thick film after laser transfer from a sapphire fabrication substrate. The laser-exposed interface originally in contact with sapphire, sintered at 1150 °C, was glass-like in appearance, consistent with melting being the principal de-lamination mechanism during a 15-ns single pulse of KrF laser radiation. The mechanical removal of the laser-generated, amorphous low-permittivity layer resulted in a decrease of the coercive field, from ~45 to ~30 kV/cm, with an increase in relative permittivity (100 Hz) from 350 to 780. Remnant polarisation was ~20 μC/cm2 in both sample types. The contribution of the laser-generated damage layer is modelled using a series two-capacitor circuit.

PurposeThis paper aims to set out several of the key issues and areas of the inter‐disciplinary field of climate change research based in accounting and accountability, and to introduce the papers that compose this AAAJ special issue.Design/methodology/approachThe paper provides an overview of issues in the science of climate, as well as an eclectic collection of independent and inter‐disciplinary contributions to accounting for climate change. Through additional accounting analysis, and a shadow carbon account, it also illustrates how organisations and nations account for and communicate their greenhouse gas (GHG) footprints and emissions behaviour.FindingsThe research shows that accounting for carbon and other GHG emissions is immensely challenging because of uncertainties in estimation methods. The research also shows the enormity of the challenge associated with reducing those emissions in the near future.Originality/valueThe paper surveys past work on a wide variety of perspectives associated with climate change science, politics and policy, as well as organisational and national emissions and accounting behaviour. It provides an overview of challenges in the area, and seeks to set an agenda for future research that remains interesting and different.

Saminathan A, Vinoth KJ, Wescott DC, Pinkerton MN, Milne TJ, Cao T, Meikle MC. The effect of cyclic mechanical strain on the expression of adhesion-related genes by periodontal ligament cells in two-dimensional culture. J Periodont Res 2012; 47: 212–221. © 2011 John Wiley & Sons A/S Background and Objective: Cell adhesion plays important roles in maintaining the structural integrity of connective tissues and sensing changes in the biomechanical environment of cells. The objective of the present investigation was to extend our understanding of the effect of cyclic mechanical strain on the expression of adhesion-related genes by human periodontal ligament cells. Material and Methods: Cultured periodontal ligament cells were subjected to a cyclic in-plane tensile deformation of 12% for 5 s (0.2 Hz) every 90 s for 6–24 h in a Flexercell FX-4000 Strain Unit. The following parameters were measured: (i) cell viability by the MTT assay; (ii) caspase-3 and -7 activity; and (iii) the expression of 84 genes encoding adhesion-related molecules using real-time RT-PCR microarrays. Results: Mechanical stress reduced the metabolic activity of deformed cells at 6 h, and caspase-3 and -7 activity at 6 and 12 h. Seventy-three genes were detected at critical threshold values

Phase relations, dielectric and piezoelectric properties are reported for the ternary system 98%[(1 - x) (Na0.5K0.5NbO3)-x(LiTaO3)]-2%[BiScO3] for compositions x-10 mol% LiTaO3. The phase content at room-temperature changed from mixed phase, monoclinic + tetragonal, for unmodified 98%(Na0.5K0.5NbO3)-2%(BiScO3), to tetragonal phase for compositions >;2 mol% LiTaO3. Curie peaks at 360 to 370°C were observed for all compositions, but peaks became diffuse at x-3 mol%, and two dielectric peaks, at 370 and 470°C, were observed for 5 mol% LiTaO3. Phase segregation, and finite size affects associated with the core-shell structure, account for the occurrence of two dielectric peaks in 5 mol% LiTaO3, and diffuse dielectric behavior. The value of d33 piezoelectric charge coefficient increased from ~160 pC/N for 0 mol% LiTaO3 to 205 to 214 pC/N for 1 to 2 mol% LiTaO3 solid solutions, before falling sharply at 3 mol% LiTaO3. TEM-EDX analysis revealed core-shell grain structures with segregation of Bi, Sc, and Ta in the outer ~100-nm shell of the 5 mol% LT sample.

Dielectric and piezoelectric properties are presented for lead-free piezoelectric compositions in the Na 0.5 K 0.5 NbO 3 –LiTaO 3 –BiScO 3 ternary system, focusing on the compositional join 0.98[(1 − x )(Na 0.5 K 0.5 NbO 3 )– x LiTaO 3 ]–0.02[BiScO 3 ]; 0 ≤ x ≤ 0.1. The end-member composition, 0.98Na 0.5 K 0.5 NbO 3 –0.02BiScO 3 has previously been reported to exhibit relatively high piezoelectric coefficients; the present paper examines changes in properties resulting from incorporation of LiTaO 3 . Measurements of relative permittivity versus temperature showed a Curie peak at ∼350 °C in x ≤ 0.02 samples. This peak broadened as the LiTaO 3 content increased from x = 0.02 to 0.03. At x = 0.05 and 0.07, the relative permittivity–temperature curve became even more diffuse, and a second peak occurred at ∼470 °C; transmission electron microscopy revealed this was the result of elemental segregation and the formation of a core–shell grain structure. Maximum values of d 33 piezoelectric charge coefficients were ∼200 pC/N in samples x = 0.01 and 0.02, for which dielectric and X-ray diffraction data inferred an orthorhombic–tetragonal phase transition close to room-temperature.

Picosecond and femtosecond X-ray absorption spectroscopy is used to probe the changes of the solvent shell structure upon electron abstraction of aqueous iodide using an ultrashort laser pulse. The transient L(1,3) edge EXAFS at 50 ps time delay points to the formation of an expanded water cavity around the iodine atom, in good agreement with classical and quantum mechanical/molecular mechanics (QM/MM) molecular dynamics (MD) simulations. These also show that while the hydrogen atoms pointed toward iodide, they predominantly point toward the bulk solvent in the case of iodine, suggesting a hydrophobic behavior. This is further confirmed by quantum chemical (QC) calculations of I(-)/I(0)(H(2)O)(n=1-4) clusters. The L(1) edge sub-picosecond spectra point to the existence of a transient species that is not present at 50 ps. The QC calculations and the QM/MM MD simulations identify this transient species as an I(0)(OH(2)) complex inside the cavity. The simulations show that upon electron abstraction most of the water molecules move away from iodine, while one comes closer to form the complex that lives for 3-4 ps. This time is governed by the reorganization of the main solvation shell, basically the time it takes for the water molecules to reform an H-bond network. Only then is the interaction with the solvation shell strong enough to pull the water molecule of the complex toward the bulk solvent. Overall, much of the behavior at early times is determined by the reorientational dynamics of water molecules and the formation of a complete network of hydrogen bonded molecules in the first solvation shell.

A study on the effects of prolonged heating under reflux conditions of up to 70 h on alkoxides of sodium, potassium and niobium dissolved in 2-methoxyethanol for the synthesis of sols of composition Na{sub 0.5}K{sub 0.5}NbO{sub 3} (NKN) has been carried out using combined thermogravimetric-Fourier transform infrared spectroscopic analyses. Extended refluxing increases the homogeneity of the Na{sub 0.5}K{sub 0.5}NbO{sub 3} (NKN) system. Spectroscopic analyses on the non-refluxed and 70 h refluxed NKN gels reveal the existence of inorganic hydrated carbonates and bicarbonates, which we propose arise from the hydration and carbonation of the samples on standing in air. The X-ray diffraction patterns of these two types of gels show orthorhombic NKN phase evolutions at higher temperatures. -- Graphical abstract: Total organic evolution plots over time for NKN dried gels obtained under different refluxing times show different thermochemical behaviours and these were investigated by thermal and spectroscopic analysis tools to find a correlation between the extent of -M-O-M- chain link formation and the amount of solvent vapour (methoxyethanol) evolution. Display Omitted Research highlights: > Prolonged refluxing of sol-gel NKN precursor solutions improves final properties of an NKN system. > An NKN process thermo-chemistry with thermal and spectroscopic analysis tools was explored.more » > An FTIR of NKN gels reveals tendency of NKN systems for rehydration and recarbonation on standing.« less

Solid solution formation in the lead-free binary system (1−x)K0.5Bi0.5TiO3−xBi(Mg0.5Ti0.5)O3 has been studied for compositions x ≤ 0.12. X-ray powder diffraction shows single-phase perovskite for x

Na 0.5 K 0.5 NbO 3 thin films have been synthesised via a sol–gel route using commercially available ethoxides of sodium, potassium and niobium. X-ray diffraction confirmed that film crystallisation occurred at ≥600 °C, but extra peaks indicated the presence of secondary phase(s). The thin films displayed non-ferroelectric polarisation hysteresis loops. Evidence of phase heterogeneity was found from detailed analyses of the thermochemistry of the NKN precursor gels which showed multiple heating DTA exotherms for crystallisation around 480–550 °C. Additionally, heating DTA endotherms and cooling exotherms for NKN gels around 800–850 °C confirm the presence of a second phase.

Effects of Al2O3 nanoparticle additions on the phase transitions of PbZrO3/Al2O3 nanocomposites were investigated. The nanocomposites were prepared by a solid-state reaction method. The phase transition behaviour of the composites was studied by dielectric measurements and differential scanning calorimetry. Nanoparticle additions produced a significant reduction in the temperature of the phase transition from ferroelectric to antiferroelectric phase during the cooling measurement. This resulted in a large thermal hysteresis. The results indicated that the intermediate ferroelectric phase of PbZrO3 is very sensitive to the Al2O3 impurity. It is proposed that changes in defect chemistry due to the reaction between the nanoparticles and the matrix during sintering are responsible for the anomaly in phase transition behaviour.

Summary All biological tissues are three dimensional and contain structures that span a range of length scales from nanometres through to hundreds of millimetres. These are not ideally suited to current three-dimensional characterization techniques such as X-ray or transmission electron tomography. Such detailed morphological analysis is critical to understanding the structural features relevant to tissue function and designing therapeutic strategies intended to address structural deficiencies encountered in pathological states. We show that use of focused ion beam milling combined with scanning electron microscopy can provide three-dimensional information at nanometre resolution from biologically relevant volumes of material, in this case dentine.