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Objective and Approach The Kumanu Tāngata study investigates long-term health outcomes in male high-level rugby union players in New Zealand using the Integrated Data Infrastructure (IDI), a comprehensive de-identified whole-population administrative research database. A historical register containing players active between 1950-2000 was linked to the IDI. Rugby players (n=12,861) were compared to general population males (n=2,385,690), matched by age, ethnicity, and birthplace, on neurodegenerative disease outcomes from health records available between 1988-2018. Cox proportional hazards models were conducted. Results Rugby players exhibited a higher neurodegenerative disease incidence (4.7%) than the general population (3.9%). Players had an increased risk of any neurodegenerative disease (1.17 [95% CI 1.08–1.27]), Alzheimer's disease (1.42 [95% CI 1.22–1.66]), and other dementias (1.16 [95% CI 1.05–1.27]). An increased risk of any neurodegenerative disease was observed for professional- or international-level play (HR 1.51 [95% CI 1.04–2.18]), six or more years of play (HR 1.32 [95% CI 1.15–1.50], and a backline playing position (HR 1.30 [95% CI 1.17–1.45]). Conclusions The study indicates a small-to-moderate increased risk of neurodegenerative diseases for high-level rugby players in New Zealand when compared to the general population, with variations observed across play duration, level and position. Future research will examine additional health outcomes, including mortality, musculoskeletal conditions, and mental health disorders. Implications This large-scale linkage study allows for a comprehensive examination of long-term health outcomes and enhanced statistical power than previous research. Findings have the potential to influence health policies and athlete care strategies in contact sports.

Abstract Background Population-level administrative data provides a cost-effective means of monitoring health outcomes and service needs of clinical populations. This study aimed to present a method for case identification of non-traumatic brain injury in population-level data and to examine the association with sociodemographic factors. Methods An estimated resident population of youth aged 0–24 years was constructed using population-level datasets within the New Zealand Integrated Data Infrastructure. A clinical consensus committee reviewed the International Classification of Diseases Ninth and Tenth Editions codes and Read codes for inclusion in a case definition. Cases were those with at least one non-traumatic brain injury code present in the five years up until 30 June 2018 in one of four databases in the Integrated Data Infrastructure. Rates of non-traumatic brain injury were examined, both including and excluding birth injury codes and across age, sex, ethnicity, and socioeconomic deprivation groups. Results Of the 1 579 089 youth aged 0–24 years on 30 June 2018, 8154 (0.52%) were identified as having one of the brain injury codes in the five-years to 30 June 2018. Rates of non-traumatic brain injury were higher in males, children aged 0–4 years, Māori and Pacific young people, and youth living with high levels of social deprivation. Conclusion This study presents a comprehensive method for case identification of non-traumatic brain injury using national population-level administrative data.

Carbon dioxide removal from the atmosphere (CDR)—also known as ‘negative emissions’—features prominently in most 2 °C scenarios and has been under increased scrutiny by scientists, citizens, and policymakers. Critics argue that ‘negative emission technologies’ (NETs) are insufficiently mature to rely on them for climate stabilization. Some even argue that 2 °C is no longer feasible or might have unacceptable social and environmental costs. Nonetheless, the Paris Agreement endorsed an aspirational goal of limiting global warming to even lower levels, arguing that climate impacts—especially for vulnerable nations such as small island states—will be unacceptably severe in a 2 °C world. While there are few pathways to 2 °C that do not rely on negative emissions, 1.5 °C scenarios are barely conceivable without them. Building on previous assessments of NETs, we identify some urgent research needs to provide a more complete picture for reaching ambitious climate targets, and the role that NETs can play in reaching them.

Natural carbon sinks currently absorb approximately half of the anthropogenic CO _2 emitted by fossil fuel burning, cement production and land-use change. However, this airborne fraction may change in the future depending on the emissions scenario. An important issue in developing carbon budgets to achieve climate stabilisation targets is the behaviour of natural carbon sinks, particularly under low emissions mitigation scenarios as required to meet the goals of the Paris Agreement. A key requirement for low carbon pathways is to quantify the effectiveness of negative emissions technologies which will be strongly affected by carbon cycle feedbacks. Here we find that Earth system models suggest significant weakening, even potential reversal, of the ocean and land sinks under future low emission scenarios. For the RCP2.6 concentration pathway, models project land and ocean sinks to weaken to 0.8 ± 0.9 and 1.1 ± 0.3 GtC yr ^−1 respectively for the second half of the 21st century and to −0.4 ± 0.4 and 0.1 ± 0.2 GtC yr ^−1 respectively for the second half of the 23rd century. Weakening of natural carbon sinks will hinder the effectiveness of negative emissions technologies and therefore increase their required deployment to achieve a given climate stabilisation target. We introduce a new metric, the perturbation airborne fraction, to measure and assess the effectiveness of negative emissions.

BackgroundAntenatal corticosteroids for women at risk of preterm birth reduce neonatal morbidity and mortality, but there is limited evidence regarding their effects on long-term health. This study assessed cardiovascular outcomes at 50 years after antenatal exposure to corticosteroids.Methods and findingsWe assessed the adult offspring of women who participated in the first randomised, double-blind, placebo-controlled trial of antenatal betamethasone for the prevention of neonatal respiratory distress syndrome (RDS) (1969 to 1974). The first 717 mothers received 2 intramuscular injections of 12 mg betamethasone or placebo 24 h apart and the subsequent 398 received 2 injections of 24 mg betamethasone or equivalent volume of placebo. Follow-up included a health questionnaire and consent to access administrative data sources. The co-primary outcomes were the prevalence of cardiovascular risk factors (any of hypertension, hyperlipidaemia, diabetes mellitus, gestational diabetes mellitus, or prediabetes) and age at first major adverse cardiovascular event (MACE) (cardiovascular death, myocardial infarction, coronary revascularisation, stroke, admission for peripheral vascular disease, and admission for heart failure). Analyses were adjusted for gestational age at entry, sex, and clustering. Of 1,218 infants born to 1,115 mothers, we followed up 424 (46% of survivors; 212 [50%] female) at mean (standard deviation) age 49.3 (1.0) years. There were no differences between those exposed to betamethasone or placebo for cardiovascular risk factors (159/229 [69.4%] versus 131/195 [67.2%]; adjusted relative risk 1.02, 95% confidence interval [CI] [0.89, 1.18;]; p = 0.735) or age at first MACE (adjusted hazard ratio 0.58, 95% CI [0.23, 1.49]; p = 0.261). There were also no differences in the components of these composite outcomes or in any of the other secondary outcomes. Key limitations were follow-up rate and lack of in-person assessments.ConclusionsThere is no evidence that antenatal corticosteroids increase the prevalence of cardiovascular risk factors or incidence of cardiovascular events up to 50 years of age. Established benefits of antenatal corticosteroids are not outweighed by an increase in adult cardiovascular disease.

There is increasing interest in the potential long-term outcomes of participation in contact and collision sports, driven by evidence of higher rates of neurodegenerative diseases among former athletes. Recent research has capitalised on large-scale administrative health data to examine health outcomes in contact sport athletes. However, there is limited research on outcomes associated with participation in rugby union, a contact sport with a relatively high incidence of head trauma and musculoskeletal injuries. Additionally, there is scope to investigate a greater range of health outcomes using large, population-based administrative data. The Kumanu Tāngata project is a retrospective cohort study that will use linked information from the New Zealand Rugby Register and health records within a comprehensive deidentified whole-population administrative research database known as the Integrated Data Infrastructure. First-class male rugby union players (N=13 227) will be compared with a general population comparison group (N=2 438 484; weighting will be applied due to demographic differences) on a range of mortality and morbidity outcomes (neurodegenerative diseases, musculoskeletal conditions, chronic physical conditions, mental health outcomes). A range of player-specific variables will also be investigated as risk factors. Analyses will consist primarily of Cox proportional hazards models. Ethics approval for the study has been granted by the Auckland Health Research Ethics Committee (Ref. AH23203). Primary research dissemination will be via peer-reviewed journal articles.

The evolution of charge carriers in photoexcited room temperature ZnO nanoparticles in solution is investigated using ultrafast ultraviolet photoluminescence spectroscopy, ultrafast Zn K-edge absorption spectroscopy, and ab initio molecular dynamics (MD) simulations. The photoluminescence is excited at 4.66 eV, well above the band edge, and shows that electron cooling in the conduction band and exciton formation occur in

Abstract Background In countries with high COVID-19 vaccination rates the SARS-CoV-2 Delta variant resulted in rapidly increasing case numbers. This study evaluated the use of non-pharmaceutical interventions (NPIs) coupled with alternative vaccination strategies to determine feasible Delta mitigation strategies for Australia. We aimed to understand the potential effectiveness of high vaccine coverage levels together with NPI physical distancing activation and to establish the benefit of adding children and adolescents to the vaccination program. Border closure limited SARS-CoV-2 transmission in Australia; however, slow vaccination uptake resulted in Delta outbreaks in the two largest cities and may continue as international travel increases. Methods An agent-based model was used to evaluate the potential reduction in the COVID-19 health burden resulting from alternative vaccination strategies. We assumed immunity was derived from vaccination with the BNT162b2 Pfizer BioNTech vaccine. Two age-specific vaccination strategies were evaluated, ages 5 and above, and 12 and above, and the health burden determined under alternative vaccine coverages, with/without activation of NPIs. Age-specific infections generated by the model, together with recent UK data, permitted reductions in the health burden to be quantified. Results Cases, hospitalisations and deaths are shown to reduce by (i) increasing coverage to include children aged 5 to 11 years, (ii) activating moderate NPI measures and/or (iii) increasing coverage levels above 80%. At 80% coverage, vaccinating ages 12 and above without NPIs is predicted to result in 1095 additional hospitalisations per million population; adding ages 5 and above reduces this to 996 per million population. Activating moderate NPIs reduces hospitalisations to 611 for ages 12 and over, and 382 per million for ages 5 and above. Alternatively, increasing coverage to 90% for those aged 12 and above is estimated to reduce hospitalisations to 616. Combining all three measures is shown to reduce cases to 158, hospitalisations to 1 and deaths to zero, per million population. Conclusions Delta variant outbreaks may be managed by vaccine coverage rates higher than 80% and activation of moderate NPI measures, preventing healthcare facilities from being overwhelmed. If 90% coverage cannot be achieved, including young children and adolescents in the vaccination program coupled with activation of moderate NPIs appears necessary to suppress future COVID-19 Delta-like transmission and prevent intensive care unit surge capacity from being exceeded.

Abstract Despite the reported association between diurnal variations in ambulatory blood pressure (BP) and elevated cardiovascular disease risk, little is known regarding the effects of isometric resistance training (IRT), a practical BP-lowering intervention, on ambulatory BP and morning BP surge (MBPS). Thus, we investigated whether (i) IRT causes reductions in ambulatory BP and MBPS, in young normotensives, and (ii) if there are any sex differences in these changes. Twenty normotensive individuals (mean 24-h SBP = 121 ± 7, DBP = 67 ± 6 mmHg) undertook 10-weeks of bilateral-leg IRT (4 × 2-min/2-min rest, at 20% maximum voluntary contraction (MVC) 3 days/week). Ambulatory BP and MBPS (mean systolic BP (SBP) 2 h after waking minus the lowest sleeping 1 h mean SBP) was measures pre- and post-training. There were significant reductions in 24-h ambulatory SBP in men (− 4 ± 2 mmHg, P = 0.0001) and women (− 4 ± 2 mmHg, P = 0.0001) following IRT. Significant reductions were also observed in MBPS (− 6 ± 8 mmHg, p = 0.044; − 6 ± 7 mmHg, P = 0.019), yet there were no significant differences between men and women in these changes, and 24-h ambulatory diastolic BP remained unchanged. Furthermore, a significant correlation was identified between the magnitude of the change in MBPS and the magnitude of changes in the mean 2-h SBP after waking for both men and women (men, r = 0.89, P = 0.001; women, r = 0.74, P = 0.014). These findings add further support to the idea that IRT, as practical lifestyle intervention, is effective in significantly lowering ambulatory SBP and MBPS and might reduce the incidence of adverse cardiovascular events that often occur in the morning.

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) enables essentially radiation-damage-free macromolecular structure determination using microcrystals that are too small for synchrotron studies. However, SFX experiments often require large amounts of sample in order to collect highly redundant data where some of the many stochastic errors can be averaged out to determine accurate structure-factor amplitudes. In this work, the capability of the Swiss X-ray free-electron laser (SwissFEL) was used to generate large-bandwidth X-ray pulses [Δλ/λ = 2.2% full width at half-maximum (FWHM)], which were applied in SFX with the aim of improving the partiality of Bragg spots and thus decreasing sample consumption while maintaining the data quality. Sensitive data-quality indicators such as anomalous signal from native thaumatin micro-crystals and de novo phasing results were used to quantify the benefits of using pink X-ray pulses to obtain accurate structure-factor amplitudes. Compared with data measured using the same setup but using X-ray pulses with typical quasi-monochromatic XFEL bandwidth (Δλ/λ = 0.17% FWHM), up to fourfold reduction in the number of indexed diffraction patterns required to obtain similar data quality was achieved. This novel approach, pink-beam SFX, facilitates the yet underutilized de novo structure determination of challenging proteins at XFELs, thereby opening the door to more scientific breakthroughs.

Abstract There is a significant challenge in responding to second waves of COVID-19 cases, with governments being hesitant in introducing hard lockdown measures given the resulting economic impact. In addition, rising case numbers reflect an increase in coronavirus transmission some time previously, so timing of response measures is highly important. Australia experienced a second wave from June 2020 onwards, confined to greater Melbourne, with initial social distancing measures failing to reduce rapidly increasing case numbers. We conducted a detailed analysis of this outbreak, together with an evaluation of the effectiveness of alternative response strategies, to provide guidance to countries experiencing second waves of SARS-Cov-2 transmission. An individual-based transmission model was used to (1) describe a second-wave COVID-19 epidemic in Australia; (2) evaluate the impact of lockdown strategies used; and (3) evaluate effectiveness of alternative mitigation strategies. The model was calibrated using daily diagnosed case data prior to lockdown. Specific social distancing interventions were modelled by adjusting person-to-person contacts in mixing locations. Modelling earlier activation of lockdown measures are predicted to reduce total case numbers by more than 50%. Epidemic peaks and duration of the second wave were also shown to reduce. Our results suggest that activating lockdown measures when second-wave case numbers first indicated exponential growth, would have been highly effective in reducing COVID-19 cases. The model was shown to realistically predict the epidemic growth rate under the social distancing measures applied, validating the methods applied. The timing of social distancing activation is shown to be critical to their effectiveness. Data showing exponential rise in cases, doubling every 7–10 days, can be used to trigger early lockdown measures. Such measures are shown to be necessary to reduce daily and total case numbers, and the consequential health burden, so preventing health care facilities being overwhelmed. Early control of second wave resurgence potentially permits strict lockdown measures to be eased earlier.

Abstract Background This study examined early life antecedents of childhood social isolation, whether these factors accounted for poor outcomes of isolated children, and how these associations varied according to patterns of stability and change in childhood isolation. Methods Participants included 2232 children from the Environmental Risk (E‐Risk) Longitudinal Twin Study. We conducted growth mixture modelling (GMM) on combined parent and teacher reports of children's social isolation when children were 5, 7, 10 and 12 years, and we assessed associations with age‐5 antecedents and age‐18 outcomes using regression analyses. Results We identified three linear developmental trajectories of increasing (4.75%), decreasing (5.25%) and low stable (90.00%) social isolation. Age‐5 attention deficit hyperactivity disorder (ADHD) symptoms, emotional problems, prosocial behaviours, maternal personality (openness) and size of school were associated with the decreasing trajectory of social isolation. When controlling for these antecedents, increasingly isolated children were still more likely to experience ADHD symptoms, loneliness, lower job optimism and lower physical activity at age 18. Conclusions Isolated children follow distinct patterns of change over childhood and isolation seems most detrimental to health at the time it is experienced. Social isolation can be a valuable indicator of co‐occurring problems and provide targets for mental health intervention in young people.

Long-wavelength pulses from the Swiss X-ray free-electron laser (XFEL) have been used for de novo protein structure determination by native single-wavelength anomalous diffraction (native-SAD) phasing of serial femtosecond crystallography (SFX) data. In this work, sensitive anomalous data-quality indicators and model proteins were used to quantify improvements in native-SAD at XFELs such as utilization of longer wavelengths, careful experimental geometry optimization, and better post-refinement and partiality correction. Compared with studies using shorter wavelengths at other XFELs and older software versions, up to one order of magnitude reduction in the required number of indexed images for native-SAD was achieved, hence lowering sample consumption and beam-time requirements significantly. Improved data quality and higher anomalous signal facilitate so-far underutilized de novo structure determination of challenging proteins at XFELs. Improvements presented in this work can be used in other types of SFX experiments that require accurate measurements of weak signals, for example time-resolved studies.

Perception of music and speech is based on similar auditory skills, and it is often suggested that those with enhanced music perception skills may perceive and learn novel words more easily. The current study tested whether music perception abilities are associated with novel word learning in an ambiguous learning scenario. Using a cross-situational word learning (CSWL) task, nonmusician adults were exposed to word-object pairings between eight novel words and visual referents. Novel words were either non-minimal pairs differing in all sounds or minimal pairs differing in their initial consonant or vowel. In order to be successful in this task, learners need to be able to correctly encode the phonological details of the novel words and have sufficient auditory working memory to remember the correct word-object pairings. Using the Mistuning Perception Test (MPT) and the Melodic Discrimination Test (MDT), we measured learners’ pitch perception and auditory working memory. We predicted that those with higher MPT and MDT values would perform better in the CSWL task and in particular for novel words with high phonological overlap (i.e., minimal pairs). We found that higher musical perception skills led to higher accuracy for non-minimal pairs and minimal pairs differing in their initial consonant. Interestingly, this was not the case for vowel minimal pairs. We discuss the results in relation to theories of second language word learning such as the Second Language Perception model (L2LP).

The change from low-spin hexacoordinated to high-spin pentacoordinated domed form in heam upon ligand detachment and the reverse process underlie the respiratory function. The authors, using femtosecond time-resolved X-ray emission spectroscopy, capture the transient states connecting the two forms in myoglobin-NO upon NO photoinduced detachment.

OLED materials based on thermally activated delayed fluorescence have promising efficiency. Here, the authors investigate an organometallic multicore Cu complex as luminophore, by pump-probe X-ray techniques at three different facilities deriving a complete picture of the charge transfer in the triplet excited state.

Music is a vital part of most cultures and has a strong impact on emotions [1-5]. In Western cultures, emotive valence is strongly influenced by major and minor melodies and harmony (chords and their progressions) [6-13]. Yet, how pitch and harmony affect our emotions, and to what extent these effects are culturally mediated or universal, is hotly debated [2, 5, 14-20]. Here, we report an experiment conducted in a remote cloud forest region of Papua New Guinea, across several communities with similar traditional music but differing levels of exposure to Western-influenced tonal music. One hundred and seventy participants were presented with pairs of major and minor cadences (chord progressions) and melodies, and chose which of them made them happier. The experiment was repeated by 60 non-musicians and 19 musicians in Sydney, Australia. Bayesian analyses show that, for cadences, there is strong evidence that greater happiness was reported for major than minor in every community except one: the community with minimal exposure to Western-like music. For melodies, there is strong evidence that greater happiness was reported for those with higher mean pitch (major melodies) than those with lower mean pitch (minor melodies) in only one of the three PNG communities and in both Sydney groups. The results show that the emotive valence of major and minor is strongly associated with exposure to Western-influenced music and culture, although we cannot exclude the possibility of universality.

Summary: The Global Alliance for Genomics and Health (GA4GH) aims to accelerate biomedical advances by enabling the responsible sharing of clinical and genomic data through both harmonized data aggregation and federated approaches. The decreasing cost of genomic sequencing (along with other genome-wide molecular assays) and increasing evidence of its clinical utility will soon drive the generation of sequence data from tens of millions of humans, with increasing levels of diversity. In this perspective, we present the GA4GH strategies for addressing the major challenges of this data revolution. We describe the GA4GH organization, which is fueled by the development efforts of eight Work Streams and informed by the needs of 24 Driver Projects and other key stakeholders. We present the GA4GH suite of secure, interoperable technical standards and policy frameworks and review the current status of standards, their relevance to key domains of research and clinical care, and future plans of GA4GH. Broad international participation in building, adopting, and deploying GA4GH standards and frameworks will catalyze an unprecedented effort in data sharing that will be critical to advancing genomic medicine and ensuring that all populations can access its benefits.

Pumas are experiencing increased isolation as human persecution and habitat loss fragment the populations of this once widespread species. Here, the authors estimate the genomic consequences of this isolation by analyzing the genomes of ten pumas from across North and South America.

Objective: Females continue to participate in sport at lower rates than males. Girls who participate in sport gain many advantages. Even with programs designed to emphasize participation, some females continue with sport participation while others do not. Given the advantages and controversies surrounding testosterone and female sport, it is possible that testosterone may predispose females toward sport participation. Our objective was to determine if the second to fourth digit (2D:4D) ratio, a proxy for prenatal androgen exposure, correlates with sport participation throughout female adolescence and young adulthood. Methods: A cross-sectional analysis of indirect prenatal androgen exposure (i.e., 2D:4D) was completed on 18–30-year-old women (n = 92) using demographics, anthropometrics, sport-specific behaviour tendencies, and retrospective sport participation. Results: 2D:4D was not significantly correlated with total sport participation (TSP) (r = −0.065, p = 0.538). Secondary analyses revealed significant correlations between TSP and maximum hand grip (r = 0.406, p = 0.000) and the Sport Orientation Questionnaire (SOQcomp (r = 0.513475, p = 0.000), SOQgoal (r = 0.253, p = 0.015), SOQwin (r = 0.366, p = 0.000)). Conclusion: Although strength and competitiveness are strongly correlated with female sport participation, the impact of prenatal androgen exposure (i.e., 2D:4D) remains to be determined given its weak and negative association with female sport participation. Given that females participate in sport at lower rates than males, continuing to determine what factors influence sport participation is an important goal.

Nonadiabatic excited state processes involve mixing of electronic and nuclear wavefunctions, which are difficult to disentangle. Here the authors explore by time-resolved X-ray absorption near edge structure the wavepacket dynamics of a copper(I)-phenanthroline complex, resolving different vibrational modes.

Harmonic cadences are chord progressions that play an important structural role in Western classical music – they demarcate musical phrases and contribute to the tonality. This study examines participants’ ratings of the perceived arousal and valence of a variety of harmonic cadences. Manipulations included the type of cadence (authentic, plagal, half, and deceptive), its mode (major or minor), its average pitch height (the transposition of the cadence), the presence of a single tetrad (a dissonant four-tone chord), and the mode (major or minor) of the cadence’s final chord. With the exception of average pitch height, the manipulations had only small effects on arousal. However, the perceived valence of major cadences was substantially higher than for minor cadences, and average pitch had a medium-sized positive effect. Plagal cadences, the inclusion of a tetrad, and ending on a minor chord all had weak negative effects for valence. The present findings are discussed in light of contemporary music theory and music psychology, as knowledge of how specific acoustic components and musical structures impact emotion perception in music is important for performance practice, and music-based therapies.

Given emerging evidence that learning to play a musical instrument may lead to a number of cognitive benefits for older adults, it is important to clarify how these training programs can be delivered optimally and meaningfully. The effective acquisition of musical and domain-general skills by later-life learners may be influenced by social, cultural and individual factors within the learning environment. The current study examines the effects of a 10-week piano training program on healthy older adult novices’ cognitive and motor skills, in comparison to an inactive waitlisted control group. Fifteen participants completed piano training led by a music facilitator in small groups (max n = 4 per lesson class; two experimental, two waitlisted control groups). Data was collected using an explanatory sequential design: quantitative data from a battery of cognitive and motor tests was collected pre/post-test on all participants, with further post-test data from the waitlisted control group (n = 7). Qualitative data included weekly facilitator observations, participant practice diaries, and an individual, semi-structured, post-experiment interview. Bayesian modelling demonstrated moderate evidence of a strong positive impact of training on part A of the Trail Making test (TMT), indicating improved visuo-motor skills. Moderate evidence for negative impacts of training on part B of the Trail Making Test (and difference score delta) was also found, suggesting no benefit of cognitive switching. Qualitative results revealed that the group learning environment motivated participants to play in musical ensembles and to socialize. Motivation was optimal when all participants were happy with the chosen repertoire (participants reported they were motivated by learning to play familiar music) and when the facilitator observed that groups had formed cohesive bonds. Informed by these factors, exploratory analyses demonstrated strong evidence that a participant’s lesson class had an impact on post-test scores (TMT part A). These results not only demonstrate the extent of cognitive benefits of a short-term piano training intervention for older adults, but also the importance of considering the group dynamics in the learning environment.

Metal-oxide nanostructures are used in a range of light-driven applications, yet the fundamentals behind their properties are poorly understood. Here the authors probe photoexcited zinc oxide nanoparticles using time-resolved X-ray spectroscopy, identifying photocatalytically-active hole traps as oxygen vacancies in the lattice.

Spectral pitch similarity (SPS) is a measure of the similarity between spectra of any pair of sounds. It has proved powerful in predicting perceived stability and fit of notes and chords in various tonal and microtonal instrumental contexts, that is, with discrete tones whose spectra are harmonic or close to harmonic. Here we assess the possible contribution of SPS to listeners’ continuous perceptions of change in music with fewer discrete events and with noisy or profoundly inharmonic sounds, such as electroacoustic music. Previous studies have shown that time series of perception of change in a range of music can be reasonably represented by time series models, whose predictors comprise autoregression together with series representing acoustic intensity and, usually, the timbral parameter spectral flatness. Here, we study possible roles for SPS in such models of continuous perceptions of change in a range of both instrumental (note-based) and sound-based music (generally containing more noise and fewer discrete events). In the first analysis, perceived change in three pieces of electroacoustic and one of piano music is modeled, to assess the possible contribution of (de-noised) SPS in cooperation with acoustic intensity and spectral flatness series. In the second analysis, a broad range of nine pieces is studied in relation to the wider range of distinctive spectral predictors useful in previous perceptual work, together with intensity and SPS. The second analysis uses cross-sectional (mixed-effects) time series analysis to take advantage of all the individual response series in the dataset, and to assess the possible generality of a predictive role for SPS. SPS proves to be a useful feature, making a predictive contribution distinct from other spectral parameters. Because SPS is a psychoacoustic “bottom up” feature, it may have wide applicability across both the familiar and the unfamiliar in the music to which we are exposed.

The development of X-ray free-electron lasers (XFELs) has opened the possibility to investigate the ultrafast dynamics of biomacromolecules using X-ray diffraction. Whereas an increasing number of structures solved by means of serial femtosecond crystallography at XFELs is available, the effect of radiation damage on protein crystals during ultrafast exposures has remained an open question. We used a split-and-delay line based on diffractive X-ray optics at the Linac Coherent Light Source XFEL to investigate the time dependence of X-ray radiation damage to lysozyme crystals. For these tests, crystals were delivered to the X-ray beam using a fixed-target approach. The presented experiments provide probe signals at eight different delay times between 19 and 213 femtoseconds after a single pump event, thereby covering the time-scales relevant for femtosecond serial crystallography. Even though significant impact on the crystals was observed at long time scales after exposure with a single X-ray pulse, the collected diffraction data did not show significant signal reduction that could be assigned to beam damage on the crystals in the sampled time window and resolution range. This observation is in agreement with estimations of the applied radiation dose, which in our experiment was clearly below the values expected to cause damage on the femtosecond time scale. The experiments presented here demonstrate the feasibility of time-resolved pump-multiprobe X-ray diffraction experiments on protein crystals.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

We review our recent results on the implementation of picosecond (ps) X-ray absorption spectroscopy to probe the electronic and geometric structure of centres formed by photoexcitation of solar materials such as TiO2 polymorphs and inorganic Cs-based perovskites. The results show electron localization at Ti defects in TiO2 anatase and rutile and small hole polaron formation in the valence band of CsPbBr3, all within 80 ps. This method is promising for the study of the ultrafast time scales of such processes, especially with the advent of the Swiss X-ray Free Electron Laser (SwissFEL).

We present the main specifications of the newly constructed Swiss Free Electron Laser, SwissFEL, and explore its potential impact on ultrafast science. In light of recent achievements at current X-ray free electron lasers, we discuss the potential territory for new scientific breakthroughs offered by SwissFEL in Chemistry, Biology, and Materials Science, as well as nonlinear X-ray science.

Legislation arising from health and environmental concerns has intensified research into finding suitable alternatives to lead-based piezoceramics. Recently, solid solutions based on sodium potassium niobate (K,Na)NbO3 (KNN) have become one of the globally-important lead-free counterparts, due to their favourable dielectric and piezoelectric properties. This data article provides information on the ferroelectric properties and core–shell grain structures for the system, (1−y)[(1−x)Na0.5K0.5NbO3 – xLiTaO3] – yBiScO3 (x=0–0.1, y=0.02, abbreviated as KNN–xLT–2BS). We show elemental analysis with aid of TEM spot-EDX to identify three-type grain-types in the KNN–LT–BS ternary system. Melting behaviour has been assessed using a tube furnace with build-in camera. Details for the ferroelectric properties and core–shell chemical segregation are illustrated.

X-ray techniques have long been applied to chemical research, ranging from powder diffraction tools to analyse material structure to X-ray fluorescence measurements for sample composition. The development of high-brightness, accelerator-based X-ray sources has allowed chemists to use similar techniques but on more demanding samples and using more photon-hungry methods. X-ray Free Electron Lasers (XFELs) are the latest in the development of these large-scale user facilities, opening up new avenues of research and the possibility of more advanced applications for a range of research. The SwissFEL XFEL project at the Paul Scherrer Institute will begin user operation in the hard X-ray (2.1–12.4 keV) photon energy range in 2018 with soft X-ray (240–1930 eV) user operation to follow and here we will present the details of this project, it's operating capabilities, and some aspects of the experimental stations that will be particularly attractive for chemistry research. SwissFEL is a revolutionary new machine that will complement and extend the time-resolved chemistry efforts in the Swiss research community.

Mixing music is a highly complex task. This is exacerbated by the fact that timbre perception is still poorly understood. As a result, few studies have been able to pinpoint listeners’ preferences in terms of timbre. In order to investigate timbre preference in a music production context, we let participants mix multiple individual parts of musical pieces (bassline, harmony, and arpeggio parts, all sounded with a synthesizer) by adjusting four specific timbral attributes of the synthesizer (lowpass, sawtooth/square wave oscillation blend, distortion, and inharmonicity). After participants mixed all parts of a musical piece, they were asked to rate multiple mixes of the same musical piece. Listeners showed preferences for their own mixes over random, fixed sawtooth, or expert mixes. However, participants were unable to identify their own mixes. Despite not being able to accurately identify their own mixes, participants consistently preferred the mix they thought to be their own, regardless of whether or not this mix was indeed their own. Correlations and cluster analysis of the participants’ mixing settings show most participants behaving independently in their mixing approaches and one moderate sized cluster of participants who are actually rather similar. In reference to the starting-settings, participants applied the biggest changes to the sound with the inharmonicity manipulation (measured in the perceptual distance) despite often mentioning that they do not find this manipulation particularly useful. The results show that listeners have a consistent, yet individual timbre preference and are able to reliably evoke changes in timbre towards their own preferences.

Adiponectin regulates metabolism through blood glucose control and fatty acid oxidation, partly mediated by downstream effects of adiponectin signaling in skeletal muscle. More recently, skeletal muscle has been identified as a source of adiponectin expression, fueling interest in the role of adiponectin as both a circulating adipokine and a locally expressed paracrine/autocrine factor. In addition to being metabolically responsive, skeletal muscle functional capacity, calcium handling, growth and maintenance, regenerative capacity, and susceptibility to chronic inflammation are all strongly influenced by adiponectin stimulation. Furthermore, physical exercise has clear links to adiponectin expression and circulating concentrations in healthy and diseased populations. Greater physical activity is generally related to higher adiponectin expression while lower adiponectin levels are found in inactive obese, pre-diabetic, and diabetic populations. Exercise training typically restores plasma adiponectin and is associated with improved insulin sensitivity. Thus, the role of adiponectin signaling in skeletal muscle has expanded beyond that of a metabolic regulator to include several aspects of skeletal muscle function and maintenance critical to muscle health, many of which are responsive to, and mediated by, physical exercise.

The physical arrangement of pitches in most traditional musical instruments—including the piano and guitar—is non-isomorphic, which means that a given spatial relationship between two keys, buttons, or fretted strings can produce differing musical pitch intervals. Recently, a number of new musical interfaces have been developed with isomorphic pitch layouts where these relationships are consistent. Since the nineteenth century, it has been widely considered that isomorphic pitch layouts facilitate the learnability and playability of instruments, particularly when a piece is transposed into a different key; however, prior to this paper, this has not been experimentally tested. To address this, we investigated four different pitch layouts to examine whether isomorphism facilitates retention and transfer of musical learning within and across keys. Both non-musicians and musicians were tested on two training tasks: two immediate retention tasks and a transfer task. Each participant played every task on two distinct layouts—one being an isomorphic layout (Wicki or Bosanquet), the other being a minimally adjusted non-isomorphic version. For musicians, isomorphism was found to facilitate transfer of learning to a novel task; for non-musicians, the results were mixed. This study provides insight into features that are important to music instrument design.

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.

Although isomorphic pitch layouts are proposed to afford various advantages for musicians playing new musical instruments, this paper details the first substantive set of empirical tests on how two fundamental aspects of isomorphic pitch layouts affect motor learning: shear, which makes the pitch axis vertical, and the adjacency (or nonadjacency) of pitches a major second apart. After receiving audio-visual training tasks for a scale and arpeggios, performance accuracies of 24 experienced musicians were assessed in immediate retention tasks (same as the training tasks, but without the audio-visual guidance) and in a transfer task (performance of a previously untrained nursery rhyme). Each participant performed the same tasks with three different pitch layouts and, in total, four different layouts were tested. Results show that, so long as the performance ceiling has not already been reached (due to ease of the task or repeated practice), adjacency strongly improves performance accuracy in the training and retention tasks. They also show that shearing the layout, to make the pitch axis vertical, worsens performance accuracy for the training tasks but, crucially, it strongly improves performance accuracy in the transfer task when the participant needs to perform a new, but related, task. These results can inform the design of pitch layouts in new musical instruments.

Lead-free piezoelectric ceramics in the system (0.95-x) Na0.5K0.5NbO3 - 0.05LiTaO3 - x LiSbO3, x = 0-0.1, were synthesized by a reaction-sintering method. The effects of the content of LiSbO3, and the sintering temperature on phase-development, microstructure and dielectric properties of the samples were investigated. Additions of LiSbO3 produced a change in crystal system from orthorhombic to tetragonal. The additive reduced the temperature at which secondary recrystallisation occurred, and also affected average grain size and dielectric constant. A sintering temperature of 1050oC (for 2 h) was the optimum for this system in order to achieve a high density and high dielectric constant. A maximum dielectric constant of 1510 was recorded for the x = 0.04 composition.

Sodium-potassium niobate ((Na1-xKx)NbO3) powders with x = 0.2, 0.4, 0.6 and 0.8 were prepared following the conventional mixed oxide method and characterized by TG-DTA, XRD and SEM techniques.The effects of calcination temperature, dwell time and K2CO3 content on phase formation behavior and morphology of the powders were investigated. The calcination temperature and dwell time were found tohave a pronounced effect on the phase formation of the calcined sodium-potassium niobate powders. It was found that the crystallized phase depended on calcination conditions. The high calcination temperature andlong dwell time clearly favored particle growth and the formation of large and hard agglomerates. All the (Na1-xKx)NbO3 powders showed a similar orthorhombic phase structure. The K2CO3 content significantlyaffected the calcination temperature and particle size and shape. Large particle size, cubic shape and a lower calcined condition were observed in (Na1-xKx)NbO3 powder with low K2CO3 content (x = 0.2).

We report on the application of a short working distance von Hamos geometry spectrometer to measure the inelastic X-ray scattering (IXS) signals from solids and liquids. In contrast to typical IXS instruments where the spectrometer geometry is fixed and the incoming beam energy is scanned, the von Hamos geometry allows measurements to be made using a fixed optical arrangement with no moving parts. Thanks to the shot-to-shot capability of the spectrometer setup, we anticipate its application for the IXS technique at X-ray free electron lasers (XFELs). We discuss the capability of the spectrometer setup for IXS studies in terms of efficiency and required total incident photon flux for a given signal-to-noise ratio. The ultimate energy resolution of the spectrometer, which is a key parameter for IXS studies, was measured to the level of 150 meV at short crystal radius thanks to the application of segmented crystals for X-ray diffraction. The short working distance is a key parameter for spectrometer efficiency that is necessary to measure weak IXS signals.

The SwissFEL X-ray Free Electron Laser (XFEL) facility started construction at the Paul Scherrer Institute (Villigen, Switzerland) in 2013 and will be ready to accept its first users in 2018 on the Aramis hard X-ray branch. In the following sections we will summarize the various aspects of the project, including the design of the soft and hard X-ray branches of the accelerator, the results of SwissFEL performance simulations, details of the photon beamlines and experimental stations, and our first commissioning results.

Physical, biological, and chemical transformations are initiated by changes in the electronic configuration of the species involved. These electronic changes occur on the timescales of attoseconds (10−18 s) to femtoseconds (10−15 s) and drive all subsequent electronic reorganization as the system moves to a new equilibrium or quasi-equilibrium state. The ability to detect the dynamics of these electronic changes is crucial for understanding the potential energy surfaces upon which chemical and biological reactions take place. Here, we report on the determination of the electronic structure of matter using a single self-seeded femtosecond x-ray pulse from the Linac Coherent Light Source hard x-ray free electron laser. By measuring the high energy resolution off-resonant spectrum (HEROS), we were able to obtain information about the electronic density of states with a single femtosecond x-ray pulse. We show that the unoccupied electronic states of the scattering atom may be determined on a shot-to-shot basis and that the measured spectral shape is independent of the large intensity fluctuations of the incoming x-ray beam. Moreover, we demonstrate the chemical sensitivity and single-shot capability and limitations of HEROS, which enables the technique to track the electronic structural dynamics in matter on femtosecond time scales, making it an ideal probe technique for time-resolved X-ray experiments.

We present a picosecond Fe K-edge absorption study of photoexcited ferrous and ferric hexacyanide in water under 355 and 266 nm excitation. Following 355 nm excitation, the transient spectra for the ferrous and ferric complexes exhibit a red shift of the edge reflecting an increased electron density at the Fe atom. For the former, an enhanced pre-edge transition is also observed. These observations are attributed to the aquated [Fe(CN)5OH2]3− species, based on quantum chemical calculations which also provide structural parameters. Upon 266 nm excitation of the ferric complex, a transient reminiscent of the aquated species is observed (appearance of a pre-edge feature and red shift of the edge) but it is different from that obtained under 355 nm excitation. This points to a new reaction channel occurring through an intermediate state lying between these two excitation energies. Finally, 266 nm excitation of the ferrous species is dominated by the photooxidation channel with formation of the ferric complex as main photoproduct. However, we observe an additional minor photoproduct, which is identical to the 266 nm generated photoproduct of the ferric species, suggesting that under our experimental conditions, the pump pulse photooxidises the ferrous complex and re-excites the primary ferric photoproduct.

BackgroundThe spread of Bluetongue virus (BTV) among ruminants is caused by movement of infected host animals or by movement of infected Culicoides midges, the vector of BTV. Biologically plausible models of Culicoides dispersal are necessary for predicting the spread of BTV and are important for planning control and eradication strategies.MethodsA spatially-explicit simulation model which captures the two underlying population mechanisms, population dynamics and movement, was developed using extensive data from a trapping program for C. brevitarsis on the east coast of Australia. A realistic midge flight sub-model was developed and the annual incursion and population establishment of C. brevitarsis was simulated. Data from the literature was used to parameterise the model.ResultsThe model was shown to reproduce the spread of C. brevitarsis southwards along the east Australian coastline in spring, from an endemic population to the north. Such incursions were shown to be reliant on wind-dispersal; Culicoides midge active flight on its own was not capable of achieving known rates of southern spread, nor was re-emergence of southern populations due to overwintering larvae. Data from midge trapping programmes were used to qualitatively validate the resulting simulation model.ConclusionsThe model described in this paper is intended to form the vector component of an extended model that will also include BTV transmission. A model of midge movement and population dynamics has been developed in sufficient detail such that the extended model may be used to evaluate the timing and extent of BTV outbreaks. This extended model could then be used as a platform for addressing the effectiveness of spatially targeted vaccination strategies or animal movement bans as BTV spread mitigation measures, or the impact of climate change on the risk and extent of outbreaks. These questions involving incursive Culicoides spread cannot be simply addressed with non-spatial models.

Sorghum bicolor is a genetically diverse C4 monocotyledonous species, encompassing varieties capable of producing high grain yields as well as sweet types which accumulate soluble sugars (predominantly sucrose) within their stems to high concentrations. Sucrose produced in leaves (sources) enters the phloem and is transported to regions of growth and storage (sinks). It is likely that sucrose transporter (SUT) proteins play pivotal roles in phloem loading and the delivery of sucrose to growth and storage sinks in all Sorghum ecotypes. Six SUTs are present in the published Sorghum genome, based on the BTx623 grain cultivar. Homologues of these SUTs were cloned and sequenced from the sweet cultivar Rio, and compared with the publically available genome information. SbSUT5 possessed nine amino acid sequence differences between the two varieties. Two of the remaining five SUTs exhibited single variations in their amino acid sequences (SbSUT1 and SbSUT2) whilst the rest shared identical sequences. Complementation of a mutant Saccharomyces yeast strain (SEY6210), unable to grow upon sucrose as the sole carbon source, demonstrated that the Sorghum SUTs were capable of transporting sucrose. SbSUT1, SbSUT4 and SbSUT6 were highly expressed in mature leaf tissues and hence could contribute to phloem loading. In contrast, SbSUT2 and SbSUT5 were expressed most strongly in sinks consistent with a functional role of facilitating sucrose import into stem storage pools and developing inflorescences.

BackgroundThe impact of a newly emerged influenza pandemic will depend on its transmissibility and severity. Understanding how these pandemic features impact on the effectiveness and cost effectiveness of alternative intervention strategies is important for pandemic planning.MethodsA cost effectiveness analysis of a comprehensive range of social distancing and antiviral drug strategies intended to mitigate a future pandemic was conducted using a simulation model of a community of ∼30,000 in Australia. Six pandemic severity categories were defined based on case fatality ratio (CFR), using data from the 2009/2010 pandemic to relate hospitalisation rates to CFR.ResultsIntervention strategies combining school closure with antiviral treatment and prophylaxis are the most cost effective strategies in terms of cost per life year saved (LYS) for all severity categories. The cost component in the cost per LYS ratio varies depending on pandemic severity: for a severe pandemic (CFR of 2.5%) the cost is ∼$9 k per LYS; for a low severity pandemic (CFR of 0.1%) this strategy costs ∼$58 k per LYS; for a pandemic with very low severity similar to the 2009 pandemic (CFR of 0.03%) the cost is ∼$155 per LYS. With high severity pandemics (CFR >0.75%) the most effective attack rate reduction strategies are also the most cost effective. During low severity pandemics costs are dominated by productivity losses due to illness and social distancing interventions, while for high severity pandemics costs are dominated by hospitalisation costs and productivity losses due to death.ConclusionsThe most cost effective strategies for mitigating an influenza pandemic involve combining sustained social distancing with the use of antiviral agents. For low severity pandemics the most cost effective strategies involve antiviral treatment, prophylaxis and short durations of school closure; while these are cost effective they are less effective than other strategies in reducing the infection rate.