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Foundations of the Ionization Potential Condition for Localized Electron Removal in Density Functional Theory
No full textOptimal tuning of functional parameters in density functional theory approximations, based on enforcing the ionization potential theorem, is a method of choice for the nonempirical prediction of the electronic structure of finite systems. This method has recently been extended to the bulk limit, based on an ansatz that generalizes the ionization potential theorem to the removal of an electron from a localized Wannier orbital. This Wannier-localization-based optimal tuning method has been shown to be highly successful for a wide range of periodic systems, accurately predicting electronic and optical properties. However, a rigorous theoretical justification for its foundational ansatz has been lacking. Here, we establish an ionization potential condition for the removal of an electron from a Wannier-localized orbital, by extending the piecewise linearity and Janak’s theorems in density functional theory. We also provide numerical evidence supporting our theory.No Full Tex
Testing the effects of nutrition-related claims on perceptions of and preferences for alcohol products among Australian consumers
No full textTo appeal to health-conscious consumers, alcohol companies are marketing some products with a variety of on-pack claims. The aims of this study were to assess (i) whether the presence of sugar, carbohydrate, or energy claims on alcohol labels can influence perceived healthiness and product selection, (ii) whether any differences occurred by age and gender, and (iii) whether claim format influenced any observed effects. A total of 2034 Australian drinkers responded to an online survey where each participant was randomized to view products featuring either sugar (e.g. low sugar), carbohydrate (e.g. low carb), or energy claims (e.g. 86 cals). Participants viewed sets of three products from three different alcohol categories (out of a possible five: beer, cider, premix, spirits, wine) without any claims, and then viewed the same products, some with and some without claims from their assigned condition. For each set, participants selected a preferred product and rated all products on perceived healthiness. All products within each set contained identical alcohol content. The addition of a claim to product labels significantly increased mean perceived healthiness scores. The largest increase was observed for carbohydrate claims, followed by sugar and then energy claims. The presence of a claim did not uniformly influence product selection. The results of this experimental study indicate that displaying nutrient content and energy claims on alcohol labels has the potential to mislead consumers into perceiving such products as healthier options. Policymakers should restrict the use of claims to limit companies' ability to market alcoholic beverages as healthier alternatives.Full Tex
Antithrombotic and antibacterial surface coating based on spiky silver nanoparticles: A counterattack against clotting and biofilm
No full textBlood-contacting medical devices such as vascular grafts, stents, and catheters are indispensable in life-saving interventions but remain prone to thrombosis and bacterial infection. These complications are often synergistic, with clot formation facilitating bacterial colonisation and biofilm growth, yet most surface coatings lack active countermeasures once thrombi or biofilms have developed. In this study, we hypothesised that integrating spiky silver-coated iron oxide nanoparticles (AgIONPs) with poly(ethylene glycol) (PEG) into a surface coating could provide both passive and active protection. AgIONPs offer strong photothermal properties under 808 nm laser irradiation for on-demand thrombolysis and biofilm disruption, while PEG contributes antifouling, anticoagulant, and biocompatible characteristics. The optimised AgIONPs–PEG coating exhibited safe photothermal heating (<45 °C), effectively lysed thrombi in static and dynamic models, and disrupted most biofilm biomass after a single irradiation cycle. Antithrombogenicity assays confirmed PEG's ability to reduce biofouling and improve haemocompatibility. Biocompatibility was further validated through in vitro, in ovo, and in vivo assays, with reduced immune-mediated inflammation. These findings highlight a multifunctional, responsive coating that could extend the lifespan and reliability of blood-contacting devices, offering a promising platform for next-generation photothermal materials in biomedical applications.Full Tex
Vasoactive drug use in children with community acquired septic shock in Australia and New Zealand
No full textBackground: Vasoactive agents are a critical supportive therapy for children with sepsis. We describe the choice and use patterns of vasoactive agents in children with sepsis. Methods: Prospective observational study conducted in 11 hospitals in Australia and New Zealand through the Paediatric Research in Emergency Departments International Collaborative (PREDICT) Network from April 2021 to December 2023. Children aged 0–<18 years with suspected sepsis were included. Children admitted to hospital and treated with parenteral antibiotics and either 1) a provisional diagnosis of sepsis, and/or 2) treatment for suspected sepsis (fluid bolus to treat poor perfusion). The frequency and sequence of use of vasoactive agents, and contributors to the choice of initial vasoactive were collected. Findings: 6232 children with suspected sepsis were included; median age of 2.1 years (IQR 0.3–7.1 years), in-hospital mortality of 60 (1.0%), in whom a subset of 306 (4.9%) met Phoenix sepsis criteria. Vasoactive agents were used in 179 (2.9%) children overall and in 144 (45.8%) of those meeting Phoenix sepsis criteria. The most used first, second, and third-line vasoactive agents were adrenaline (90/179; 50.3%), noradrenaline (49/91; 53.8%), and vasopressin (16/40; 40.0%). When comparing noradrenaline vs adrenaline as first line agents, increasing age was associated with preferential use of noradrenaline (RR 1.06, 95% CI 1.03–1.09; p < 0.001). Interpretation: Children with suspected community acquired sepsis rarely received treatment with vasoactive agents. Adrenaline and noradrenaline were the most used agents, though there was substantial variation in their use and sequencing. Funding: This study is funded in part by a National Health and Medical Research Council (NHMRC) Medical Research Future Fund grant (GNT1190814). The full list of funders is presented at the end of the paper.Full Tex
Short and long-term effects of a play-based therapeutic exercise programme in children with non-cystic fibrosis bronchiectasis: A randomised controlled trial
No full textObjectives: To determine whether an 8-week, play-based therapeutic exercise program increases the proportion of children with bronchiectasis who remain exacerbation-free over 12-months. Secondary objectives were to assess effects on time of exacerbations, fundamental movement skill (FMS) proficiency, moderate-to-vigorous physical activity (MVPA), aerobic fitness, perceived movement competence, and health-related quality of life (HRQoL). Design: Multi-site, observer-blinded, parallel-group randomised controlled trial. Methods: Children aged 4 to 13-years with bronchiectasis, were randomised 1:1 to intervention or waitlist control. The 8-week intervention comprised weekly 60-minute group sessions in community venues, incorporating play-based activities targeting FMS and aerobic fitness, alongside a twice-weekly home program. Primary and secondary outcomes were assessed at baseline, immediately post-intervention, and at 6- and 12-months. Analyses used intention-to-treat with multiple imputation for missing data. Results: Forty-seven children (mean age = 7.3 years ± SD 2.4) were randomised. At 12-months, the estimated odds of remaining exacerbation-free over 12 months were higher in the intervention group than in the control group (OR 1.51, 95% CI 0.32–7.5), although the association was not statistically significant. Median time to first exacerbation was longer in the intervention participants than controls (175 vs 82 days, p = 0.38). Daily MVPA increased significantly post-intervention (+ 16.8 min/day; p = 0.011) but was unsustained at 6- and 12-month follow-up. No significant group differences were observed for FMS, aerobic fitness, perceived competence, or HRQoL. Conclusions: A developmentally appropriate, play-based therapeutic exercise program was associated with short-term increases in daily physical activity and clinically relevant reductions in exacerbation frequency were suggested, although estimates were imprecise and not statistically significant. Therapeutic exercise as a potential adjunct to routine care warrants further investigation in adequately powered trials.Full Tex
Atkinsonella hypoxylon virus capsid structure highlights the diversity of capsid proteins among the Partitiviridae
No full textAtkinsonella hypoxylon virus (AhV) is a fungi-infecting betapartitivirus and the typical member of the Partitiviridae, a family of persistent viruses that infect a broad range of organisms. Partitiviruses have been largely overlooked following their designation as cryptic viruses. However, evidence is accumulating that they play an important role in the ecology of their hosts. Since the capsid proteins of partitiviruses have been implicated in virus–host interactions, exploring their structural biology may give clues into the evolution, horizontal transmission and host adaptation of partitiviruses. The capsid of AhV shares the same organization of other partitiviruses with 60 dimeric capsid protein protomers arranged with T=1 icosahedral symmetry. The structure, determined by cryo-electron microscopy to 2.4 Å, shows that AhV has a unique iteration on the protrusion domain with an extensive network of hydrophobic interactions among equivalent interdigitating loops at the dimerization interface. AhV also shares a conserved helical core in the shell domain, which we extend to all genera of the recognized partitiviruses using protein structure prediction. The helical core appears to be a conserved element of the picobirnavirus lineage of capsid protein folds and provides a template onto which various elaborations of the protrusion domain have evolved. The involvement of the protrusion in virus–host interactions has previously been proposed, and our findings provide evidence of a structural device enabling capsid protein diversification during the evolution of the Partitiviridae.Full Tex
Antimicrobial Management Strategies for Multidrug-Resistant Gram-Positive Prosthetic Device Infections
No full textProsthetic device infections caused by multidrug-resistant (MDR) gram-positive bacteria pose significant therapeutic challenges. This review examines management strategies for methicillin-resistant staphylococci, ampicillin-resistant enterococci, vancomycin-resistant enterococci, and MDR Corynebacterium infections. Success requires coordinated surgical intervention and antimicrobial therapy, with device removal often necessary. Vancomycin remains the cornerstone for most resistant organisms, while newer agents like dalbavancin enable outpatient therapy. Critical considerations include recognizing linezolid toxicity during prolonged therapy, and understanding that surgical approach determines outcomes more than antimicrobial selection.No Full Tex
An enhanced semi-active nonlinear negative stiffness control strategy based on isolation-story displacement triggering
No full textThis study proposes a displacement-triggered semi-active nonlinear negative stiffness device (DTSA-NNSD) control strategy to enhance the seismic resilience of base-isolated structures. The device employs a helical spring-based nonlinear mechanism that provides adaptive negative stiffness under controlled compression. A key innovation of the DTSA-NNSD is its displacement-triggered activation: the negative stiffness mechanism engages in response to real-time isolation story displacement, keeping the spring within the elastic range and reducing fatigue-induced performance degradation. The effectiveness of the proposed strategy is validated through combining real-time hybrid simulation with dual servo-hydraulic actuators and numerical simulations under multiple seismic intensity levels. Compared with passive NNSD control and uncontrolled cases, DTSA-NNSD achieves 40 %–60 % reduction in peak isolation displacement and up to 40 % reduction in superstructure acceleration, while generating stronger nonlinear negative stiffness forces for enhanced energy dissipation. Sensitivity analysis further highlights the crucial role of the compression ratio in controlling performance. The results demonstrate that the DTSA-NNSD offers a practical semi-active approach to balance adaptability, structural safety, and long-term efficiency in seismic isolation systems. Future work may focus on real-time optimization of control parameters and integration with data-driven monitoring frameworks for robust seismic protection.No Full Tex
‘They don’t know my body’: health consumer recognition and escalation of acute deterioration – a systematic review
No full textCONTEXT: Health consumer escalation of acute deterioration response systems are now widely available to help facilitate early recognition and response to acute deterioration in hospitals. Yet, a systematic synthesis of the literature on the signs and symptoms that health consumers consider representative of acute deterioration and the reasons for escalation has not been conducted. AIMS: (1) To identify the signs and symptoms that health consumers recognise as indicative of acute deterioration, and (2) describe the reasons that health consumers activate acute deterioration response systems in hospitals. METHODS: A systematic review was undertaken, informed by the PRISMA (Preferred Reporting Items for Systematic reviews and Meta-Analyses) statement and checklist. Five databases (Ovid Medline, Ovid Emcare, CINAHL Complete, Scopus and ProQuest Dissertations and Theses Global Database; January 2015-April 2025; English language) and Google Scholar were searched using a registered search strategy. Screening was undertaken in Covidence with all study designs that met the inclusion criteria included. The MMAT (Mixed-Methods Appraisal Tool) was applied to evaluate study quality. A convergent integrative synthesis was undertaken, incorporating thematic analysis. RESULTS: From 947 unique titles/abstracts and 27 full-text articles, 14 studies met the inclusion criteria. Health consumers can identify a variety of physiological, cognitive, behavioural and functional changes indicative of acute deterioration. Health consumers activate acute deterioration response systems for four reasons: (1) reassurance, (2) reassessment, (3) re-establishing control and (4) recognition and respect. CONCLUSIONS: Health consumers' ability to recognise acute deterioration varies, from clear, specific signs and symptoms to a non-specific sense that something is wrong. Health consumers activate acute deterioration response systems for multiple reasons. PROSPERO REGISTRATION NUMBER: CRD420251013545.No Full Tex
LCMDSCov: A lightweight hybrid COVID-19 classification framework using chest X-ray and CT medical images
No full textThe aim of this study is to develop and evaluate a streamlined, reliable, and highly accurate artificial intelligence (AI)-driven system for predicting respiratory diseases, including COVID-19 from X-rays and CT scans. A novel AI framework is proposed to utilize a multiscale depth-wise separable variational auto-encoder (VAE) convolution network combined with second-order pooling for the processing and analysis of medical images. This design facilitates the efficient capture of both low and high-resolution patterns by applying different kernel sizes on partial tensors derived from the input tensor. Second-order pooling module enhances the classification accuracy by encoding global second-order statistics within the extracted deep feature maps. To validate the proposed framework, we conducted two classification scenarios. The first scenario involved a multiclass scenario utilizing various chest X-ray (CXR) images where we combined two datasets to include various respiratory diseases. The second scenario focused on binary classification using computer tomography (CT) lung images. The proposed AI framework demonstrated remarkable efficiency and reliability achieving 98.82% and 97.34% accuracy rates on the CXR and CT scan datasets, respectively. These results were attained with a model characterized by low parameters and FLOPs, showcasing its potential for practical application in the direct clinical diagnosis of respiratory diseases through medical imaging.No Full Tex