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Speeding up tight binding calculations using zone-folding methods

Tight binding models are widely used in large scale electronic structure calculations of nanostructures. Their atomistic nature makes them flexible, but also means the computational cost increases rapidly with system size. The large number of calculations required to design nanostructures makes computational efficiency desirable. We have developed a method to increase computational speed while ret

Minority report : Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux

The gallides YbNi3Ga9 and YbCu3Ga8 were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi3Ga9 was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi3Ga9, the ErNi3Al9-type structure was confirmed (space group R32, a ​= ​

Predicting the Onset of Opioid Use Disorder in the Swedish General Population

Objective: Given the public health importance of opioid use disorder (OUD), we sought to understand better its risk predictors in the Swedish general population. Method: We examined the Swedish population, born 1950–1970 (n = 2,092,359), and followed through 2018. Using Cox, logistic, and co-sibling models, we explored associations between a wide range of putative risk factors and a first onset of

Development and characterization of photovoltaic tandem-junction nanowires using electron-beam-induced current measurements

Nanowires have many interesting properties that are of advantage for solar cells, such as the epitaxial combination of lattice-mismatched materials without plastic deformation. This could be utilized for the synthesis of axial tandem-junction nanowire solar cells with high efficiency at low material cost. Electron-beam-induced current measurements have been used to optimize the performance of sing

Circulating Biomarkers in Lower Extremity Artery Disease

Lower extremity artery disease (LEAD), a chronic condition with disturbed lower extremity circulation due to narrowing of the arteries, is predominantly caused by atherosclerosis and is associated with the presence of cardiovascular risk factors and an increased risk of cardiovascular events. LEAD is prevalent among older individuals and predicted to rise with the ageing population. In progressive

A distinctive profile of family genetic risk scores in a Swedish national sample of cases of fibromyalgia, irritable bowel syndrome, and chronic fatigue syndrome compared to rheumatoid arthritis and major depression

Background Functional somatic disorders (FSD) feature medical symptoms of unclear etiology. Attempts to clarify their origin have been hampered by a lack of rigorous research designs. We sought to clarify the etiology of the FSD by examining the genetic risk patterns for FSD and other related disorders. Methods This study was performed in 5 829 186 individuals from Swedish national registers. We q

High turnover photocatalytic hydrogen formation with an Fe(iii) N-heterocyclic carbene photosensitiser

Herein we report the first high turnover photocatalytic hydrogen formation reaction based on an earth-abundant FeIII-NHC photosensitiser. The reaction occurs via reductive quenching of the 2LMCT excited state that can be directly excited with green light and employs either Pt-colloids or [Co(dmgH)2pyCl] as proton reduction catalysts and [HNEt3][BF4] and triethanolamine/triethylamine as proton and

How older adults relate to their own voices : a qualitative study of subjective experiences of the aging voice

Aim: The aim of this study was to investigate how otherwise healthy older adults with self-assessed voice problems relate to their voice and voice changes. Method: Focus groups were conducted at an activity center to identify how older adults reflect on their own voice and the aging voice in general. The interviews were audio recorded and transcribed. The analysis was done using thematic content a

Order and disorder in the modulated phase hp-Mg9Ge5.1

Single crystals of Mg9Ge5.1(2) were obtained at a pressure of 5 GPa in the temperature range 723 to 1273 K. The metastable high-pressure phase exhibits a crystal structure, which may be described as a host-guest variety of an UCl3-type framework. The atomic arrangement is characterized by a host crystal structure Mg9Ge3 with disordered germanium guests (≈2 Ge per formula unit) in the channels. The

Participation in exercise-based cardiac rehabilitation is related to reduced total mortality in both men and women : Results from the SWEDEHEART registry

Aims: Participation in exercise-based cardiac rehabilitation (exCR) increases aerobic capacity and improves outcomes in patients following myocardial infarction (MI) and is therefore universally recommended. While meta-Analyses consistently report that participation in exCR reduces cardiovascular mortality, there are conflicting results regarding effects on total mortality. Presently, many eligibl

Atomic Structure and Valence State of Cobalt Nanocrystals on Carbon under Syngas Versus Hydrogen Reduction

The composition of the reducing gas in the activation of Co Fischer-Tropsch synthesis catalysts determines the nature of the catalytically active Co species. This study reports on the effect of H2versus syngas (H2/CO = 2) on the reducibility of Co3O4nanoparticles supported on hollow carbon spheres, using ex situ and in situ high-resolution aberration-corrected analytical electron microscopy. High-

Robust topological superconductivity in weakly coupled nanowire-superconductor hybrid structures

We investigate the role of the coupling between a spin-orbit coupled semiconductor nanowire and a conventional s-wave superconductor on the emergence of the topological superconducting phase with Majorana bound states in an applied magnetic field. We show that when the coupling is strong, the topological phase transition point is very sensitive to the size of the superconductor and in order to rea

Marine gastropods at higher trophic level show stronger tolerance to ocean acidification

Climate change and anthropogenic activities are producing a range of new selection pressures, both abiotic and biotic, on marine organisms. Although it is known that climate change can differentially affect fitness-related traits at different trophic levels of the food web, it is not clear if different trophic levels will respond via phenotypic plasticity in the form of maintenance of phenotypes i

Growth and Characterization of Core-Branch Nanowire Structures

This thesis investigates growth of III – V semiconductor nanowire (NW) arrays, in a core- branch architecture, with the aim to develop diffusion driven light emitting diodes (LED) on NWs. Diffusion driven LEDs are based on the concept of decoupling the active region from the p-n junction. The carriers are injected by diffusion in the active region, because of the bandgap difference between the pn

Role of multiple risk factors in mental disorders diagnosed in middle-aged women : A population-based follow-up study

The aims of the study were 1). to investigate the association between the potential risk factors including socio-demographic, lifestyle and DNA methylation and mental disorders in middle-aged women from a large population-based follow-up study, and 2). to estimate the risk score by combining the potential risk factors to examine the mental disorder's incidence. A total of 6461 women, aged 50-65 ye

Avian Behavioral and Physiological Responses to Challenging Thermal Environments and Extreme Weather Events

Birds occupy habitats ranging from Antarctic ice shelves and Arctic tundra to low-latitude deserts and lowland rainforests, and so are exposed to the full range of climates present on Earth. Cold, hot, or variable (on a variety of temporal scales) thermal conditions can present significant thermoregulatory challenges to birds, which typically must maintain body temperatures within narrow physiolog

Mortality and Cardiovascular Outcomes in Patients Presenting With Non–ST Elevation Myocardial Infarction Despite No Standard Modifiable Risk Factors : Results From the SWEDEHEART Registry

BACKGROUND: A significant proportion of patients with ST-segment– elevation myocardial infarction (MI) have no standard modifiable cardiovascular risk factors (SMuRFs) and have unexpected worse 30-day outcomes compared with those with SMuRFs. The aim of this article is to examine outcomes of patients with non–ST- segment– elevation MI in the absence of SMuRFs. METHODS AND RESULTS: Presenting featu

Non-Standard Employment and Unemployment during the COVID-19 Crisis : Economic and Health Findings from a Six-Country Survey Study

The COVID-19 crisis is a global event that has created and amplified social inequalities, including an already existing and steadily increasing problem of employment and income insecurity and erosion of workplace rights, affecting workers globally. The aim of this exploratory study was to review employment-related determinants of health and health protection during the pandemic, or more specifical