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A new ReaxFF reactive force field has been developed to describe reactions in the Ti-O-H system. The ReaxFF force field parameters have been fitted to a quantum mechanical (QM) training set containing structures and energies related to bond dissociation energies, angle and dihedral distortions, and reactions between water and titanium dioxide, as well as experimental crystal structures, heats of f
The paper examines the ways in which states facilitate 'new enclosures' of natural resources, and the challenges of this as a strategy of development and environmental sustainability. We argue that enclosures introduce significant changes in property regimes, which redefine conditions for the access and control of land and forest, especially for tribal and indigenous communities. In this context,
A long-standing problem in the Ordovician stratigraphy of south-eastern Norway has been to the relations between the Mjosa Formation in the Lake Mjosa region and coeval strata in the Oslo region. The recent discovery of the globally distributed Guttenberg delta(13)C excursion (Guttenberg Isotopic Carbon Excursion) in the Mjosa region provided the impetus to search for this excellent chemostratigra
In this article, we study 19-year-olds in Sweden (n = 2,942) with and without an immigration background (Iran, Yugoslavia, and Sweden). We follow-up on a recent study, which shows that religion and happiness tend to be positively associated at the individual level only in countries with high aggregate levels of religiosity and proposes that what affects happiness is not religiosity per se but conf
We present and study a minimal structure-based model for the self-assembly of peptides into ordered β-sheet-rich fibrils. The peptides are represented by unit-length sticks on a cubic lattice and interact by hydrogen bonding and hydrophobicity forces. Using Monte Carlo simulations with >10^{5} peptides, we show that fibril formation occurs with sigmoidal kinetics in the model. To determine the mec
Background. We report a case of patient-to-surgeon transmission of hepatitis C virus (HCV), and the subsequent transmission of HCV to surgical patients. Methods. In 2007, a cardiac surgeon tested positive for hepatitis C. A complete look-back investigation was initiated that involved screening of all patients on the surgeon's operating lists between September 2004 and April 2007. Genotyping and ph
Chronic kidney disease (CKD) severity is associated with increased morbidity and mortality in congestive heart failure (CHF). There is a paucity of data regarding renal improvement after cardiac resynchronization therapy (CRT) and its potential impact on clinical outcomes, especially in patients with severe CKD.
Purpose: The purpose of this study was to investigate national indication criteria tool for cataract extraction (NIKE), a clinical tool for establishing levels of indications for cataract surgery, in relation to gender differences in waiting times for cataract extraction (CE). Methods: Data were collected by The Swedish National Cataract Register (NCR). Eye clinics report to NCR voluntarily and on
Daylight UV-B (UV-B) radiation (280–315 nm) is, because of its photochemical effects and potential destructive impact, an important environmental factor for plants. After decades of fruitless attempts, a receptor molecule, UVR8, for sensing of ambient UV-B radiation by plants has been characterized, and the initial steps in signal transduction have been identified. There are, however, other signal
The formation of soot particles has been investigated in CH4/O-2 diffusion flames using a unique burner design, which allows the creation of a nearly unstrained planar reaction sheet. Spatially resolved soot volume fractions were obtained using laser-induced incandescence. These soot measurements and the sooting limits were obtained as a function of bulk flow across the flame and mixture strength.
A novel type of timber-concrete composite floor, consisting of longitudinal glulam beams with a fibre reinforced concrete (FRC) slab on the top is proposed. In order to check some relevant mechanical properties of such a floor, full-scale laboratory tests along with numerical analyses were carried out. The shear connector system used in the investigation consisted of self-tapping screws driven at
Hypoxia-inducible factor (HIF) is a master regulator of cellular responses to oxygen deprival with a critical role in mediating the angiogenic switch in solid tumors. Differential expression of the HIF subunits HIF1α and HIF2α occurs in many human tumor types, suggesting selective implications to biologic context. For example, high expression of HIF2α that occurs in neuroblastoma is associated wit
Knowledge about features distinguishing deleterious and neutral variations is crucial for interpretation of novel variants. Bruton tyrosine kinase (BTK) contains the highest number of unique disease-causing variations among the human protein kinases, still it is just 10% of all the possible single-nucleotide substitution-caused amino acid variations (SNAVs). In the BTK kinase domain (BTK-KD) can a
The [NiFe] hydrogenases catalyse the reversible conversion of H2 to protons and electrons. The active site consists of a Fe ion with one carbon monoxide, two cyanide, and two cysteine (Cys) ligands. The latter two bridge to a Ni ion, which has two additional terminal Cys ligands. It has been suggested that one of the Cys residues is protonated during the reaction mechanism. We have used combined q
In high-income countries, non-communicable diseases drive the demand for surgical healthcare. Middle-income countries face a double disease burden, of both communicable and non-communicable disease. The aim of this study was to describe the role of surgery for the in-hospital care of infectious conditions in the high-income country Sweden and the middle-income country South Africa.
Here we show that it is possible to intercalate CO under graphene grown on Ir(111) already at room temperature when CO pressures in the millibar regime are used. From the interplay of X-ray photoelectron spectroscopy and scanning tunneling microscopy we conclude that the intercalated CO adsorption structure is similar to the (3 root 3 X 3 root 3)R30 degrees) adsorption structure that is formed on
The purpose was to investigate the relationship between autonomy support by managers and co-workers and employees’ work motivation and self-efficacy in two studies. In Study 1, a sample of 343 Swedish workers completed surveys, and in Study 2, we followed up with a subsample of 98 workers one year later. As in previous studies, managers’ support of autonomy was significantly positively related to
Objective: Despite the rise of high-throughput technologies, clinical data such as age, gender and medical history guide clinical management for most diseases and examinations. To improve clinical management, available patient information should be fully exploited. This requires appropriate modeling of relevant parameters. Methods: When kernel methods are used, traditional kernel functions such as
Despite its facilitating role in creating opportunities for people with disabilities to exercise human rights, access to assistive technology is limited in many countries. It is therefore promising that the Convention on Rights of Persons with Disabilities (CRPD) addresses this area. The purpose of this study was to analyse the assistive technology content of the CRPD from a basic human rights per
