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The emergence of fourth-generation synchrotrons is prompting the development of new systems for experimental control and data acquisition. However, as general control systems are designed to cover a wide set of instruments and techniques, they tend to become large and complicated, at the cost of experimental flexibility. Here we present Contrast, a simple Python framework for interacting with beam

Molecular additives are widely utilized to minimize non-radiative recombination in metal halide perovskite emitters due to their passivation effects from chemical bonds with ionic defects. However, a general and puzzling observation that can hardly be rationalized by passivation alone is that most of the molecular additives enabling high-efficiency perovskite light-emitting diodes (PeLEDs) are che

Background In cohorts with voluntary participation, participants may not be representative of the underlying population, leading to distorted estimates. If the relevant sources of selective participation are observed, it is however possible to restore the representativeness by reweighting the sample to resemble the target population. So far, few studies in epidemiology have applied reweighting bas

BACKGROUND: Directed acyclic graphs (DAGs) are of great help when researchers try to understand the nature of causal relationships and the consequences of conditioning on different variables. One fundamental feature of causal relations that has not been incorporated into the standard DAG framework is interaction, i.e. when the effect of one variable (on a chosen scale) depends on the value that an

Phosphorylation is one of the most abundant types of post-translational modifications of intrinsically disordered proteins (IDPs). This study examines the conformational changes in the 15-residue-long N-terminal fragment of the IDP statherin upon phosphorylation, using computer simulations with two different force fields: AMBER ff99SB-ILDN and CHARMM36m. The results from the simulations are compar

We present a scheme for transferring conformational degrees of freedom from all-atom (AA) simulations of an intrinsically disordered protein (IDP) to coarse-grained (CG) Monte Carlo (MC) simulations using conformational swap moves. AA simulations of a single histatin 5 peptide in water were used to obtain a structural ensemble, which is reweighted in a CGMC simulation in the presence of a negative

When a biomaterial is inserted into the body, proteins rapidly adsorb onto its surface, creating a conditioning protein film that functions as a link between the implant and adhering cells. Depending on the nano-roughness of the surface, proteins will adsorb in different amounts, with different conformations and orientations, possibly affecting the subsequent attachment of cells to the surface. Th

Intrinsically disordered proteins (IDPs) adopt heterogeneous conformational ensembles in solution. The properties of the conformational ensemble are dependent upon the solution conditions, including the presence of ions, temperature, and crowding, and often directly impact biological function. Many in vitro investigations focus on the properties of IDPs under dilute conditions, rather than the cro

In this article, it is shown that by exposing commonly used lipids for biomembrane mimicking studies, to a solution containing the histidine-rich intrinsically disordered protein histatin 5, a protein cushion spontaneously forms underneath the bilayer. The underlying mechanism is attributed to have an electrostatic origin, and it is hypothesized that the observed behavior is due to proton charge f

Efficient descriptions of open quantum systems can be obtained by performing an adiabatic elimination of the fast degrees of freedom and formulating effective operators for the slow degrees of freedom in reduced dimensions. Here, we perform the construction of effective operators in frequency space, and using the final value theorem or alternatively the Keldysh theorem, we provide a correction for

Aims: To investigate potential differences between participants and dropouts in the 2005 follow-up of the Scania Public Health Cohort Study regarding the prevalence of commonly studied health determinants and whether these factors had differential associations with three health outcomes: all-cause mortality and purchase of prescribed cardiovascular or psychotropic drugs during a 10-year follow-up

To investigate the effects of changes in biopolymer composition on moisture in acetylated poplar wood (Populus euramericana Cv.), the acetylation of control wood was compared to the acetylation of wood with reduced hemicellulose or lignin content (about 9% reduction of total specimen dry weight in both cases). Time-domain nuclear magnetic resonance relaxometry of water-saturated wood gave spin–spi

Background: Selection and selection bias are terms that lack consistent definitions and have varying meaning and usage across disciplines. There is also confusion in current definitions between underlying mechanisms that lead to selection and their consequences. Consequences of selection on study validity must be judged on a case-by-case basis depending on research question, study design and analy

Introduction Children with appendicitis often present with complicated disease. The aim of this study was to describe the clinical management of pediatric appendicitis, and to report how disease severity and operative modality are associated with short- and long-term risks of adverse outcome. Materials and Methods A nationwide retrospective cohort study of all Swedish children (<18 years) diagnose

OBJECTIVES: To investigate known and suggested risk factors associated with cerebral palsy in a Swedish birth cohort, stratified by gestational age. SETTING: Information on all births between 1995 and 2014 in Skåne, the southernmost region in Sweden, was extracted from the national birth register. PARTICIPANTS: The cohort comprised a total of 215 217 children. Information on confirmed cerebral pal

All inorganic halide perovskites in the form of colloidal quantum dots (QDs) have come into people's view as one of the potential materials for the high-efficiency solar cells; nevertheless, the high surface trap density and poor stability of QDs restrict the performance improvement and application. Here, we obtain colloidal inorganic perovskite CsPb1-xZnxI3 QDs by the hot-injection synthesis proc

Solar energy simulations are used to quantify the potential of the passive use (daylight, solar gains) and the active use (photovoltaics and solar thermal) of solar energy. The simulations can be performed at different scales e.g. buildings, neighbourhoods and cities, with different requirements on the data. For example, for the neighbourhood simulations we need simplified building geometries that

Introduction: Fetal growth restriction is associated with adverse perinatal outcome and the clinical management of these pregnancies is a challenge. The aim of this study was to investigate the potential of cerebroplacental ratio (CPR) to predict adverse perinatal outcome in high-risk pregnancies in the third trimester. Another aim was to study whether the CPR has better predictive value than its