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We have compared the performance of 64 different computational methods, based on combined quantum mechanical (QM) and molecular mechanical (QM/MM) or QM-cluster calculations in a continuum solvent, to estimate the acid constant (pKa) of metal-bound ligands in proteins. As a calibration set, we use 12 experimental pKa values from six different proteins that involve Zn2+, Fe3+, or Fe4+. We employ tw

Background: Heart failure (HF) is a common disease among older individuals and is associated with poor quality of life and prognosis. Individuals at risk of developing HF are usually already patients in primary healthcare, but diagnosing HF at an early stage can be challenging. Identifying patients at risk of HF and initiating early treatment is crucial for their outcomes. Using the variables gend

This study theoretically evaluates the detection time window for assessing internal dose following the inhalation of radionuclides released in a postulated accident scenario at the European Spallation Source (ESS). The assessment focuses on gamma-emitting radionuclides and investigates the feasibility of high-resolution whole-body counting (WBC) and gamma spectrometric analysis of 24-h urinary exc

In this paper, we consider integral linear constraints and the dissipation inequality with linear supply rates for certain sets of trajectories confined pointwise in time to a convex cone which belongs to a finite-dimensional normed vector space. Such constraints are then shown to be satisfied if and only if a bounded linear functional exists which satisfies a conic inequality. This is analogous t

OBJECTIVES: To explore and map the literature on referral pathway gaps and improvement strategies in primary healthcare (PHC) to secondary healthcare (SHC) referrals, and to categorise both gaps and improvements using the Quintuple Aim framework for healthcare improvement-a model encompassing patient experience, population health, costs, provider well-being and health equity. DESIGN: Scoping revie

We study applications of clustering (in particular, the Hamming k-center clustering problem) in the design of efficient and practical algorithms for computing an approximate and the exact arithmetic matrix product of two 0-1 rectangular matrices with clustered rows or columns, respectively. Our results in part can be regarded as an extension of the clustering-based approach to Boolean square matri

Accurate identification of anatomical structures is essential for safe congenital cardiac surgery and for the development of assistive robotic systems. However, scalable annotation of open-heart surgical video remains a major challenge due to dynamic tissue motion, occlusion, and anatomical variability. The aim of this study was to develop and evaluate a human-in-the-loop segmentation and tracking

Objectives: The Queen of Hearts (QoH) ECG artificial intelligence model has demonstrated improved sensitivity for detecting occlusion myocardial infarction (OMI) compared with STEMI criteria, but further validation is needed. We aimed to evaluate QoH's diagnostic performance in patients with chest pain at Swedish emergency departments (EDs). Methods: This retrospective analysis included consecutiv

Aim Infant massage has been suggested as a beneficial approach; however, evidence regarding how it is implemented within routine child health care remains limited. The aim of this observational study was to explore how infant massage education was enacted in a child health care setting, with a focus on infant behavior, caregiver–infant interaction, and group dynamics among caregivers during the se

In insects, antennal ionotropic receptors (IRs) play a crucial role in the detection of airborne chemicals. However, little functional information is available beyond drosophilids, particularly in terms of their functional evolution. In the present study, we functionally assayed IR75q.2 orthologues from eight moth species and found that three of them primarily responded to nonanoic acid, with seco

BACKGROUND: Bilateral basal ganglia calcifications (BGCs), if severe, are known hallmarks for idiopathic BGC disease (IBGC), but if milder, are often considered radiological findings of unknown significance. In previous studies, only a minority of patients with BGC had monogenic forms of IBGC.METHODS: We studied consecutive patients from a tertiary neurology clinic with bilateral BGCs of variable

BACKGROUND: It is now possible to acquire a fully diagnostic standard 12-lead electrocardiography (ECG) using a smartwatch, a smartphone app, and no additional hardware. This study aims to evaluate the predictive performance of advanced ECG (A-ECG) analysis applied to a smartwatch 12-lead ECG (SWECG) acquired using an Apple Watch in identifying cardiovascular risks among asymptomatic adults perfor

ObjectiveTo investigate degree of speech improvement and adverse effects after secondary velopharyngeal dysfunction (VPD) surgery in individuals with cleft palate with or without cleft lip/alveolus (CP ± L), and to examine whether any patient- or treatment-related factors were associated with treatment efficacy.DesignRetrospective intervention study.SettingA regional public care university hospita

As small modular reactors (SMRs) gain prominence in global discussions on the nuclear renaissance, questions about their societal acceptance become increasingly important. While technological and economic aspects dominate the early discourse, social dimensions—especially public attitudes—remain underexplored. This study examines how the Swedish public perceives SMRs in a period marked by a signifiAs small modular reactors (SMRs) gain prominence in global discussions in the nuclear renaissance, questions about their societal acceptance become increasingly important. Technological and economic aspects dominate the public debate while social dimensions – especially public attitudes – remain under explored. Based on a survey with citizens, this study examines how the Swedish public perceives S

This report maps the fossil and biogenic carbon flows that entered and left the Swedish economy in 2023 and discusses the implications of the Swedish climate target and some EU regulations on future carbon flows. The carbon flows were mapped according to Eurostat’s Economy Wide Material Flow Accounts (EW MFA) framework, focusing on anthropogenic carbon flows. The input flows in this framework cons

BackgroundChild-to-parent violence (CPV) is a serious but under-researched form of family violence. There is a lack of previous studies examining whether school violence and exposure to parental violence interact in their association with CPV. We hypothesize that involvement in school violence – as victim or perpetrator – is more strongly associated with physical CPV among individuals who have beeBackgroundChild-to-parent violence (CPV) is a serious but under-researched form of family violence. There is a lack of previous studies examining whether school violence and exposure to parental violence interact in their association with CPV. We hypothesize that involvement in school violence – as victim or perpetrator – is more strongly associated with physical CPV among individuals who have bee