Publikationer från Uppsala Universitet
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Surface Acidity of Basic Oxides : The Case Study of Solvated ZnO from Density Functional Theory-Based Molecular Dynamics Simulations
No full textZinc oxide is a versatile semiconducting metal oxide for both environmental and energy applications. Here, the surface acidity of the ZnO(101<overline>0)/NaCl sol. system is investigated by applying density functional theory-based molecular dynamics simulations. A new set of repulsive potential is developed, which leads to a consistent description of pKa of Zn2OsH+. By exploring the relation between the vertical energy gap at the deprotonated state (of acid) and the corresponding pKa, this work reveals that different sets of repulsive potentials are likely needed for accurate predictions of surface acidity for basic oxides
A note on two novel easy-to-interpret feature effect measures for partial dependence plots in a classification setting
No full textClassification of observations into one of several distinct categories is a common task in applied statistics, traditionally performed using parametric statistical models such as logistic regression. These parametric models are, however, often outperformed in terms of prediction accuracy by black box supervised learning models (BBSLMs). A drawback of BBSLMs is the lack of easy-to-interpret feature effect measures similar to the odds ratio (OR) for logistic regression models. The present paper derives two novel feature effect measures based on partial dependence plots for binary classification using BBSLMs: the relative risk of marginal effects (RRME) and the odds ratio of marginal effects (ORME). The performance and interpretation of these new measures are illustrated in an application studying the risk of death within 48 hours of admission among individuals admitted to hospital with a myocardial infarction. The BBSLMs are shown to have better predictive ability than the logistic regression models, with the RRME:s and ORME:s of death for the main risk factor anterior infarct both being 1.8, comparable to the OR of 1.9 for the logistic regression model. The RRMEs and ORMEs are also shown to be more robust in terms of being applicable also for observations with missing values for some features
Probing long-range forces in neutrino oscillations at the ESSnuSB experiment
No full textNeutrino oscillations constitute an excellent tool to probe physics beyond the Standard Model. In this paper, we investigate the potential of the ESSnuSB experiment to constrain the effects of flavour-dependent long-range forces (LRFs) in neutrino oscillations, which may arise due to the extension of the Standard Model gauge group by introducing new U(1) symmetries. Focusing on three specific U(1) symmetries — Le − Lμ, Le − Lτ, and Lμ − Lτ, we demonstrate that ESSnuSB offers a favourable environment to search for LRF effects. Our analyses reveal that ESSnuSB can set 90% confidence level bounds of Veμ < 2.99 × 10−14 eV, Veτ < 2.05 × 10−14 eV, and Vμτ < 1.81 × 10−14 eV, which are competitive to the upcoming Deep Underground Neutrino Experiment (DUNE). It is also observed that reducing the systematic uncertainties from 5% to 2% improves the ESSnuSB limits on Vαβ. Interestingly, we find limited correlations between LRF parameters and the less constrained lepton mixing parameters θ23 and δCP, preserving the robustness of ESSnuSB’s sensitivity to CP violation. Even under extreme LRF potentials (Vαβ ≫ 10−13 eV), the CP-violation sensitivity and δCP precision remain largely unaffected. These results establish ESSnuSB as a competitive experimental setup for probing LRF effects, complementing constraints from other neutrino sources and offering critical insights into the physics of long-range forces
Sequence, structure, and affinity of miR-34a binding sites determine repression efficacy
No full textMicroRNAs (miRs) regulate gene expression post-transcriptionally by guiding Argonaute (AGO) proteins to target mRNAs. Efficiently predicting the repressive effects of miRNAs remains limited largely due to an incomplete understanding of how mRNA:miR structure affects function. Using EMSAs, structural probing, luciferase reporter assays, and transcriptome analysis, we investigated the structural, biophysical, and functional interaction between the human tumour suppressor miR-34a and 12 mRNA targets. Comparison of isolated mRNA:miRNA duplexes and those bound within functional AGO2 revealed that while the binary duplex largely predicts AGO2-associated affinity and structure, AGO2 bidirectionally modulates binding by attenuating strong interactions and stabilising weaker ones. Furthermore, we show that the impact of supplementary pairing is more pronounced in targets with shorter seeds compared to those with full-length seeds and confirm this effect in a transcriptome-wide analysis. Finally, we identified three structural groups of mRNA:miR-34a-AGO2 complexes, adopting either a symmetrical structure, or a bulge on the mRNA or miR side. miR-bulged complex repression was strongly linked to mRNA:miR affinity, whereas mRNA-bulged complexes showed no such correlation. Our results thus identify structural and biophysical characteristics of mRNA:miR duplexes that contribute to repression efficacy, revealing a hierarchy of seed type, structure, and affinity that determine repression efficiency
A scoping review of sustainable strategies adopted in nuclear medicine
No full textIntroduction: Sustainable development is an approach that must be applied to all areas within healthcare, especially those in constant technological development, such as nuclear medicine. The aim of this study was to scope the literature to identify knowledge gaps in the sustainable development of the nuclear medicine field. Methods: The Joanna Briggs Institute methodology for scoping reviews was employed. A search strategy was conducted in PubMed, Embase, CINAHL and Web of Science in December 2024 using Mesh terms and keywords related to sustainability development and nuclear medicine. Three independent reviewers screened titles, abstracts, and full text. Four authors performed the data extraction and analysis. Results: A total of 36 studies met the inclusion criteria. The majority originated from Spain, and most were published in 2022 and 2023. Studies were categorised by procedure type: 33.3 % focused on therapy, 9.7 % on PET imaging, 33.3 % on diagnostic and therapeutic procedures, and 18.1 % on SPECT imaging. They were also categorised by location to include research conducted in hospital settings (n = 23), non-hospital settings (n = 8), both (n = 4) or none (n = 1). Reviewed studies implemented sustainability measures across the sustainability pillars: environmental (n = 30), economic (n =12), and social (n = 9) pillars. Conclusion: This scoping review has highlighted the growing interest in sustainability, within the nuclear medicine field. Findings indicate that there is a strong emphasis on reducing environmental impact, with efforts such as waste minimisation, implementation of alternative discharge methods, and radionuclide extraction systems gaining popularity; however, further evidence is needed to understand the economic and social impact of nuclear medicine procedures. Implications for practice: The scoping review identified a range of strategies focused on mitigating the adverse impact on the environment and working towards efficient economic and social resources, to foster sustainable practices in nuclear medicine. (c) 2025 The Author(s). Published by Elsevier Ltd on behalf of The College of Radiographers. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)
Sexual Violence in Lesbian and Queer Relationships : - Double Invisibility
No full textThis article investigates experiences of intimate partner sexual violence (IPSV) and help-seeking from the perspectives of lesbian and queer victim-survivors in Sweden. IPSV is often missing from the broader discourse on IPV. For lesbian and queer victim-survivors, misrecognition is exacerbated by heteronormative and gendered conceptions of sexuality and violence, rendering their experiences invisible and illegible. Our findings suggest that sexual violence is particularly associated with additional shame and stigma making it harder to seek support. This is in part to do with the incomprehensible nature of sexual violence within a violent relationship, since sexual violence is often entangled with other forms of violence and coercive control. Strategies of resistance such as appearing to consent to sexual acts to avoid escalation of violence or fighting back physically can make it harder for queer victims of IPSV to identify themselves as victims of violence. This non-recognition of IPSV in lesbian and queer relationships has implications for help-providers who must ask more indirect questions about the effects of sexual violence and abuse in order to provide adequate support for queer victim-survivors of IPSV
Translation and validation of the Swedish version of the early-onset scoliosis 24-item questionnaire
No full textPurpose This study aimed to translate and validate the Early-Onset Scoliosis 24-Item Questionnaire (EOSQ-24) into Swedish. Methods Following international guidelines, the EOSQ-24 was double forward translated by independent translators, reviewed by experts, and distributed to caregivers. A single back translation was performed, and the Swedish version was finalized. The Swedish EOSQ-24 was made available online for clinically active spinal surgeons to use during outpatient visits, where it was distributed to caregivers of early-onset scoliosis (EOS) patients aged 0-15 years. Internal consistency was assessed using Cronbach's alpha, item-total correlation, and analysis of floor and ceiling effects. Convergent validity was examined using the EuroQol-5D 3 level (EQ-5D) and the Scoliosis Research Society 22-Item Questionnaire revised (SRS-22r). Results Responses from 140 caregivers were collected. Ceiling effects ranged from 21 to 74%, with no floor effects > 15%. Internal consistency was excellent (Cronbach's alpha = 0.9), except for two domains: "General Health" (0.6) and "Pulmonary Function" (0.4). The item-total correlation was poor for "Pulmonary Function". EOSQ-24 domains showed significant convergent validity with SRS-22r (Spearman's rho 0.5 to 0.8) and the EQ-5D (Spearman's rho -0.6 to -0.8). Stepwise regression showed lower scores for patients with neuromuscular scoliosis, indicating sensitivity for scoliosis etiology. Conclusion The Swedish EOSQ-24 is a valid, disease-specific questionnaire with excellent internal consistency suitable for use in a clinical setting. Minor inconsistencies are not unique for the Swedish translation
Posterior rates of convergence for composite quantile regression
No full textComposite quantile regression is based on the convex combination of single quantile quantile loss functions and enjoys many advantages over single quantile regression. The Bayesian extension is based on the finite mixture of asymmetric Laplace densities. This article mainly aims to contribute to the theoretical justification of Bayesian composite quantile regression from the perspective of Bayesian density estimation. As such, we further show that the asymmetric Laplace distribution can be used for Bayesian density estimation in general. We obtain upper bounds on rates of convergence for mixtures of asymmetric Laplace densities. For finite mixtures, we obtain the parametric rate up to a logarithmic factor, and a slower rate for infinite mixture
Evaluation of QuickMIC system for rapid antimicrobial susceptibility testing of Gram-negative pathogens from positive blood cultures, including strains producing extended-spectrum β-lactamases and carbapenemases
No full textThe accuracy and turnaround time (TAT) of the QuickMIC system (QMIC) for rapid antimicrobial susceptibility testing (AST) of Gram-negative pathogens from positive blood cultures were evaluated, in comparison with a standard-of-care workflow based on culture and AST with broth microdilution. Essential agreement (EA) and bias were evaluated according to the ISO 20776-2:2021, category agreement (CA), categorical overestimation (CO), and underestimation (CU) rates were evaluated according to the European Committee on Antimicrobial Susceptibility Testing(EUCAST) breakpoints, and major discrepancy (MD) and very major discrepancy (VMD) rates were evaluated according to the Food and Drug Administration (FDA) guidelines and breakpoints. QMIC yielded evaluable data for 103/118 blood cultures (87.3%), including Enterobacterales (N = 82), Pseudomonas aeruginosa (N = 16), and Acinetobacter baumannii complex (N = 5). Overall, 41 isolates (39.8%) were positive for extended-spectrum β-lactamases and/or carbapenemases. QMIC exhibited EA and CA values of 89.5% and 93.3%, respectively, with values <90% were reported for cefepime, meropenem, and piperacillin-tazobactam. Mean bias was -23.1%, with values >±30% observed with colistin and piperacillin-tazobactam. Overall, CO and CU were observed in 2.3% and 4.4% of cases. MD and VMD with FDA breakpoints were observed in 1.5% and 8.9% of cases, respectively. The lowest accuracy of QMIC in terms of CU was observed with cefepime, colistin, and gentamicin and in terms of VMD with ceftazidime-avibactam, meropenem, and piperacillin-tazobactam. The mean TAT for QMIC was 192±18 min. QMIC demonstrated the potential for rapid AST, with a mean time to result of less than 4 hours, and an overall acceptable accuracy, except with some beta-lactams. Further studies are warranted to assess the potential impact of QMIC implementation on clinical outcomes
Evidence for orbital Fulde-Ferrell-Larkin-Ovchinnikov state in the bulk limit of 2H-NbSe2
No full textThe Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state is an unusual superconducting phase that survives beyond the Pauli paramagnetic limit through spatial modulation of the order parameter. An even more exotic variant—the orbital FFLO state—was recently reported in thin flakes of 2H-NbSe2, involving the interplay of Ising spin-orbit coupling and orbital pair breaking. Here, we report thermodynamic signatures consistent with an orbital FFLO state in bulk 2H-NbSe2, based on high-resolution magnetization and torque measurements under strictly parallel to the NbSe2 basal plane. In the magnetic phase diagram, a crossover to a first-order transition appears above 3 T and disappears with slight field misalignment, indicating field-angle dependent Pauli-limited behavior. Additionally, we observe a reversible step-like anomaly within the superconducting state, and a pronounced six-fold in-plane modulation of the upper critical field above this phase transition. These results suggest that the orbital FFLO state is likely realized even in the bulk limit of 2H-NbSe2