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[NiFe] hydrogenases catalyze the reversible conversion of molecular hydrogen to protons and electrons. This seemingly simple reaction has attracted much attention because of the prospective use of H2 as a clean fuel. In this paper, we have studied the full reaction mechanism of this enzyme with various computational methods. Geometries were obtained with combined quantum mechanical and molecular m
Natural organic matter (NOM) is a growing concern for artificial recharge plants. In the future, it is predicted that warmer climates and more precipitation will cause higher NOM production in lakes and more NOM transport to lakes. This, coupled with increasing drinking water demand due to the population increase, is pushing operators of water treatment plants (WTPs) to find new ways to treat wate
Diet and ambient temperature affect animal physiology, survival and reproductive success. However, knowledge of how these environmental factors interact to shape physiological processes and life-history traits of birds and other animals is largely lacking. By exposing adult great tits (Parus major) to two contrasting diets (saturated or unsaturated fatty acids; SFAs and UFAs, respectively) and amb
Characterizing aerosol chemical composition in response to meteorological changes and atmospheric chemistry is important to gain insights into new particle formation mechanisms. A BAECC (Biogenic Aerosols - Effects on Clouds and Climate) campaign was conducted during the spring 2014 at the SMEAR II station (Station for Measuring Forest Ecosystem-Aerosol Relations) in Finland. The particles were ch
This paper presents the development and validation of a Monte Carlo-based singe photon emission computed tomography reconstruction program for parallel-hole collimation contained within the SIMIND Monte Carlo framework. The Monte Carlo code is used as an accurate forward-projector and is combined with a simplified back-projector to perform iterative tomographic reconstruction using the Maximum Lik
We have performed a systematic computational study of the relative energies of possible protonation states of the FeMo cluster in nitrogenase in the E0-E4 states, i.e., the resting state and states with 1-4 electrons and protons added but before N2 binds. We use the combined quantum mechanics and molecular mechanics (QM/MM) approach, including the complete solvated heterotetrameric enzyme in the c
Block copolymer-surfactant "complex salts" (BCPCS), containing one neutral water-soluble block and one polyion/surfactant-ion block, were prepared from poly(acrylamide)-block-poly(acrylic acid) block copolymers by neutralizing the acrylate charges with cationic dodecyl- or hexadecyltrimethylammonium surfactant counterions. The BCPCS were studied in hydrated samples containing 20-99 wt % water (and
Most B cell precursor acute lymphoblastic leukemia (BCP ALL) can be classified into known major genetic subtypes, while a substantial proportion of BCP ALL remains poorly characterized in relation to its underlying genomic abnormalities. We therefore initiated a large-scale international study to reanalyze and delineate the transcriptome landscape of 1,223 BCP ALL cases using RNA sequencing. Fourt
We use tunneling spectroscopy to study the evolution of few-electron spin states in parallel InAs nanowire double quantum dots (QDs) as a function of level detuning and applied magnetic field. Compared to the much more studied serial configuration, parallel coupling of the QDs to source and drain greatly expands the probing range of excited-state transport. Owing to a strong confinement, we can he
Flying animals need continual sensory feedback about their body position and orientation for flight control. The visual system provides essential but slow feedback. In contrast, mechanosensory channels can provide feedback at much shorter timescales. How the contributions from these two senses are integrated remains an open question in most insect groups. In Diptera, fast mechanosensory feedback i
This is a protocol for a Cochrane Review (Intervention). The objectives are as follows: The objective of this review is to assess benefits and harms of postnatal administration of corticosteroids for the management of transient tachypnea of the newborn.
Ectopic expression of transcription factors has been used to reprogram differentiated somatic cells toward pluripotency or to directly reprogram them to other somatic cell lineages. This concept has been explored in the context of regenerative medicine. Here, we set out to generate dendritic cells (DCs) capable of presenting antigens from mouse and human fibroblasts. By screening combinations of 1
Background: People with a disability affecting their mobility are more likely to be overweight or obese than those without a mobility disability. The guidelines on how to prevent and treat overweight/obese adults in the general population have not been adapted to the needs of people with a mobility disability. A reasonable useful first step in the process of adapting such guidelines is to conduct
Eyeblink conditioning is one of the most popular experimental paradigms for studying the neural mechanisms underlying learning and memory. A key parameter in eyeblink conditioning is the interstimulus interval (ISI), the time between the onset of the conditional stimulus (CS) and the onset of the unconditional stimulus (US). Though previous studies have examined how the ISI affects learning there
Objective: Homecare workers play a pivotal role in palliative care, but research on their experiences is limited. The aim of this study was to describe how homecare workers in Sweden experience their work in palliative homecare. Method: This qualitative study used open-ended interviews with a purposive sample of 15 homecare workers. The data was analysed by means of qualitative content analysis. R
