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We have calculated redox potentials of 12 blue copper protein sites comparing 64 computational methods, systematically varying the quantum mechanics (QM) system size, dielectric constants, density functional, and basis sets. All methods were based on structures optimized with combined QM and molecular mechanics (QM/MM) approaches. The redox potentials were evaluated using 10 quality metrics. The b
Chorea-acanthocytosis (ChAc), an autosomal recessive disorder, is associated with cognitive and behavioral abnormalities. Previous studies were focused around exploring the functional annotation of VPS13A gene in ChAc, whereas the genetic labyrinth underlying this disease and plausible drug targets were underexplored. In the present study, we have identified the pivotal genes and molecular pathway
Ferritin, the central iron storage protein, has attracted attention as a biomarker of severe COVID-19. Few studies have investigated regulators of iron metabolism in the context of COVID-19. The aim was to evaluate biomarkers for iron metabolism in the acute phase response to community-acquired pneumonia (CAP) caused by SARS-CoV-2 compared with CAP caused by bacteria or influenza virus in hospital
We present a method for estimating fossil fuel methane emissions using observations of methane and ethane, accounting for uncertainty in their emission ratio. The ethane:methane emission ratio is incorporated as a spatially and temporally variable parameter in a Bayesian model, with its own prior distribution and uncertainty. We find that using an emission ratio distribution mitigates bias from us
BackgroundWe aimed to fill the gaps of knowledge concerning incidence rates and temporal trend, clinical features and risk factors for death for M. morganii bloodstream infections in south Sweden.MethodsThis was an observational, population-based study including all patients with at least one blood culture positive for Morganella morganii between 2013-2023 in Skåne, south Sweden.ResultsA total of
The preferred method for synthesising therapeutic peptides today is by Solid-Phase Peptide Synthesis (SPPS). SPPS is a wasteful process, where the main component of the waste is hazardous solvents, i.e., N,N-dimethylformamide (DMF), N-methylpyrrolidone (NMP) or dichloromethane (DCM). 3 It is therefore desirable to search for new and greener solvents to use for SPPS, which is what has been studied
An experimental study of smoke propagation from an apartment to an escape route corridor in a real-scale residential building is presented in this paper. The experiments were performed using the same experimental setup but with different ventilation and apartment door opening times. The setup consisted of a fire in a two-seater sofa in an apartment connected to a corridor and other apartments. A t
Ångest driver vittnen att ingripa vid mobbning – Vetenskap och Hälsa Hoppa till innehåll Vetenskap och hälsa Populärvetenskapligt om medicinsk forskning i Skåne Teman Podd Tidskrift Prenumerera Om webbplatsen Kontakt Sök Sök Ångest driver vittnen att ingripa vid mobbning 2021-06-09 ⚠️ Den här artikeln är mer än 5 år gammal. Nya forskningsrön kan ha tillkommit. Foto: iStock/Ridofranz Hundratusental
https://www.vetenskaphalsa.se/angest-driver-vittnen-att-ingripa-vid-mobbning/ - 2026-07-21
Nickel phosphide is a valuable material in high-temperature brazing and joining applications, offering excellent thermal stability for temperatures up to 400°C. Nickel phosphide is used as powder form for joining applications and therefore it is imperative to study the formation as well as interaction of Ni2P particles with Brazing with nickel-chromium-based fillers is widely used to join stainles
The Middle Darriwilian Isotopic Carbon Excursion (MDICE) is one of the globally recognized positive excursions in carbon isotope chemostratigraphy, but mainly documented by δ13Ccarb data in previous research. In this paper, new stable organic carbon isotope data (δ13Corg) are presented from the Hule-1 core from the southern Anhui Province of southern China. The core constitutes an Ordovician silic
This article investigates trapping mechanisms in AlGaN/GaN high electron mobility transistors (HEMTs) at cryogenic temperatures (CTs) down to 4.2 K, using pulsed I–V and drain current transient spectroscopy (DCTS) measurements. The results revealed an overall increase of trapping effects at CT. In particular, a substantial increase in current collapse at low temperatures was observed and predomina
BACKGROUND: Sharp force injuries display varying patterns depending on the manner of death (homicide, suicide, accidental). The purpose of this study was to analyse forensic autopsy data to examine the characteristics of sharp force injuries on the extremities, to differentiate between different manners of death and to examine demographic differences.METHODS: This retrospective cohort study utiliz
Over geologic time, biocalcification – the process by which marine organisms make calcium carbonate (CaCO3) – has reshaped climates, ocean life, and seawater chemistry. In particular, the evolution of coccolithophores, the largest group of nannoplankton and today’s most productive calcifiers, transformed ocean environments and the carbon cycle. Their origins, however, remain enigmatic. This is par
High-grade serous ovarian cancer (HGSOC) is the most prevalent and aggressive subtype of ovarian cancer. The combination of late-stage diagnosis and the tendency to exhibit resistance to existing treatments highlights a critical gap in effective therapeutic options. There is thus a need for novel strategies for targeting HGSOC, particularly in its advanced stages. To address this gap, we developed
Lynch syndrome (LS) is an autosomal dominant syndrome that predisposes individuals to development of cancers early in life. These cancers are mainly the following: colorectal, endometrial, ovarian, small intestine, stomach and urinary tract cancers. LS is caused by germline mutations in DNA mismatch repair genes (MMR), mostly MLH1 and MSH2, which are responsible for more than 85% of known germline
Biomechanical models which require information on, e.g., joint torque and muscle force are useful in the estimation of when and how mechanical overload of the musculoskeletal system may lead to disorders. The aim was to study the reliability and validity of magnetic resonance imaging (MRI) to quantify muscle sizes and moment arms by MRI and to test selected anthropometric measures as predictors of
