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Nitrogenase is the only enzyme that can break the triple bond in N2 to form two molecules of ammonia. The enzyme has been thoroughly studied with both experimental and computational methods, but there is still no consensus regarding the atomic details of the reaction mechanism. In the most common form, the active site is a MoFe7S9C(homocitrate) cluster. The homocitrate ligand contains one alcohol

We have studied the binding of 102 ligands to the farnesoid X receptor within the D3R Grand Challenge 2016 blind-prediction competition. First, we employed docking with five different docking software and scoring functions. The selected docked poses gave an average root-mean-squared deviation of 4.2 Å. Consensus scoring gave decent results with a Kendall’s τ of 0.26 ± 0.06 and a Spearman’s ρ of 0.

A metric analysis on hulled barley grain from the Iron Age regional centre of Uppåkra and surrounding sites in southern Sweden has identified a variation in the size of the grain found on these archaeological sites. Large, high-quality grain was found more frequently at Uppåkra when compared to sites in the surrounding area, where smaller grain was more frequent. The observed large grain found at

The paper examines energy consumption in Britain, Germany and Czechoslovakia over 130 years, including both traditional and modern energy carriers. The article is based on new series of energy consumption for Czechoslovakia that includes traditional energy sources, and, which is compared to energy use in other coal-rich countries in Europe: Germany and Britain. Changes in energy consumption are de

We present an experimental method including error analysis for the measurement of the density and compressibility of cells and microbeads; these being the two central material properties in ultrasound-based acoustophoretic applications such as particle separation, trapping, and up-concentration. The density of the microparticles is determined by using a neutrally buoyant selection process that inv

Previous studies report high and increasing iron (Fe) concentrations in boreal river mouths. This Fe has shown relatively high stability to salinity-induced aggregation in estuaries. The aim of this study was to understand how the speciation of Fe affects stability over salinity gradients. For Fe to remain in suspension interactions with organic matter (OM) are fundamental and these interactions c

Reducing greenhouse gas emissions to limit damage to the global economy climate-change-induced and secure the livelihoods of future generations requires ambitious mitigation strategies. The introduction of a global carbon tax on fossil fuels is tested here as a mitigation strategy to reduce atmospheric CO2 concentrations and radiative forcing. Taxation of fossil fuels potentially leads to changed

Recent developments in synchrotron brilliance and X-ray optics are pushing the flux density in nanofocusing experiments to unprecedented levels, which increases the risk of different types of radiation damage. The effect of X-ray induced sample heating has been investigated using time-resolved and steady-state three-dimensional finite-element modelling of representative nanostructures. Simulations

The concept of a knowledge triangle, i.e., the principle of strengthening the linkages between research, education and innovation, has emerged as a result of policymakers' expectations that universities assume a broader societal responsibility. Yet, little is known about how these tasks and their interactions are orchestrated at universities. We explore concept of how the knowledge triangle is man

Breast cancer is one of the most common cancers in women. It is most commonly treated by the surgical removal of the tumour in combination with (neo)-adjuvant therapy (hormone, chemo- or radio- therapy before or after surgery). However, a large number of patients are over treated, with approximately 60% being given adjuvant therapy when already cured by surgery alone. This causes many undesirable

Purpose - The purpose of this paper is to augment heat transfer rates of traditional rib-elements with minimal pressure drop penalties. Design/methodology/approach - The novel geometries in the present research are conventional cylindrical ribs with rounded transitions to the adjacent flat surfaces and with modifications at their bases. All turbulent fluid flow and heat transfer results are presen

There is increasing demand for sources of energy and non-meat protein with balanced amino acid profiles worldwide. Nuts are rich in protein and essential amino acids, and have a high energy value due to their high fat content. Kernels from two wild fruits in Mozambique, Adansonia digitata and Sclerocarya birrea, were selected for this study to determine their amino acid and fatty acid composition,

OBJECTIVE We tested the associations between genetic background and selected environmental exposures with respect to islet autoantibodies and type 1 diabetes. RESEARCH DESIGN AND METHODS Infants with HLA-DR high-risk genotypes were prospectively followed for diabetesrelated autoantibodies. Single nucleotide polymorphisms (SNPs) came from the Illumina ImmunoChip and environmental exposure data were

Background: High-throughput sequencing enables high-resolution genotyping of extremely duplicated genes.454 amplicon sequencing (454) has become the standard technique for genotyping the major histocompatibilitycomplex (MHC) genes in non-model organisms. However, illumina MiSeq amplicon sequencing (MiSeq), which offersa much higher read depth, is now superseding 454. The aim of this study was to q

We studied the brittle-ductile transition in three porous carbonates, Indiana, USA, Majella, Italy, and Leitha, Austria, with porosity ranging between 16 and 31%. A series of triaxial experiments were performed at room temperature, constant strain rate, and at effective pressures ranging from 5 to 150 MPa. Several sets of X-ray Tomography images were acquired before and after deformation. 3D digit

To elucidate the relationship between cerebrospinal fluid (CSF) total-tau (T-tau) and phosphorylated tau (P-tau) with the tau PET ligand 18F-AV-1451 in Alzheimer's disease (AD), we examined 30 cognitively healthy elderly (15 with preclinical AD), 14 prodromal AD, and 39 AD dementia patients. CSF T-tau and P-tau were highly correlated (R = 0.92, P < 0.001), but they were only moderately associated

The doctoral thesis seeks to discuss the transition between Viking Age and early medieval settlement and the establishment of the historical villages, based on archaeological material collected in Halland. The development is described in terms of three general periods of change: Period 1, c. 800–1000, consisting of farms with three-aisled longhouses. Period 2, c. 1000–1150, a transitional period w