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We have studied the accuracy of 16 different density functional theory methods to reproduce experimental data for bond lengths, angles, vibrational frequencies, as well as enthalpies and entropies for the binding of N2, H2, CO and hydride ions to various transition-metal complexes (with Fe, Ni, Cr, Mo andW) with relation to nitrogenase.We show that generalized gradient approximation functionals gi

Willow (Salix spp.) trees have been used commercially since the 1980s to produce renewable energy. Some benefits with these trees are that they can clean soil from heavy metals, reduce the risk of nutrient leakage and eutrophication. They could be an alternative to reduce carbon dioxide emissions from fossil fuel, but they are known to emit high rates of biogenic volatile organic compounds (BVOCs)

The aim of the present study was to estimate the range of climate variability in Central Poland during the Eemian Interglacial (MIS 5e). High resolution pollen records are available for all seven RPAZs typical of this interglacial in Central Europe. These pollen records were used to estimate total annual precipitation and mean annual temperature, as well as the mean temperatures of the warmest and

Transcriptional profiling of acute leukemia, specifically by RNA-sequencing or whole transcriptome sequencing (WTS), has provided fundamental insights into its underlying disease biology and allows unbiased detection of oncogenic gene fusions, as well as of gene expression signatures that can be used for improved disease classification. While used as a research tool for many years, RNA-sequencing

A flow injection thermal microbiosensor was designed for the simultaneous determination of multiple analytes. The biosensor consisted of five thin-film thermistors which were located along a single microchannel. The device was fabricated on a quartz chip by micromachining. The feasibility of employing this system for the detection of two independent enzyme reactions was demonstrated using two diff

Capsule A combination of several biometric measures enables the reliable sexing of the European Bee-eater Merops apiaster, a species with subtle sex differences in plumage and morphometry. Aims To explore variation in biometrics and their suitability to discriminate sex in adult European Bee-eaters Merops apiaster. Methods We sampled populations of a long-distance migratory species with low sexual

In this study, amino acid functionalized poly(2-hydroxyethyl methacrylate-N-methacrylolyl-l-phenylalanine) [PHEMAPA] cryogel discs were prepared. In this respect, phenylalanine containing N-methacryloyl-(L)-phenylalanine methyl ester (MAPA) was polymerized with 2-hydroxyethyl methacrylate (HEMA) without requirement of any activation step. Laccase bound poly(2-hydroxyethyl methacrylate-N-methacrylo

The Convention on Biological Diversity, and the Nagoya Protocol in particular, provide a framework for the fair and equitable sharing of benefits arising from the utilization of biological resources and traditional knowledge, and ultimately aim to promote capacity-building in the developing world. However, measuring capacity-building is a challenging task due to its intangible nature. By compiling

Aim: To report on the results of the online international consensus process to develop the comprehensive and brief International Classification of Functioning, Disability and Health (ICF) Core Sets for adults with cerebral palsy (CP). Method: An online iterative decision-making and consensus process involved 25 experts, including clinicians and researchers working with adults with CP, an adult wit

This paper presents a bottom boundary layer model for the unsteady and non-uniform flow in the swash zone, by extending the momentum integral method so as to include spatial gradients. The developed model is further incorporated into a hydrodynamic model based on the Nonlinear Shallow Water Equations. Two swash zone cases are examined to investigate the effect of the inclusion of spatial gradients

Background: Global transcriptional profiling of individual cells represents a powerful approach to systematically survey contributions from cell-specific molecular phenotypes to human disease states but requires tissue-specific protocols. Here we sought to comprehensively evaluate protocols for single cell isolation and transcriptional profiling from heart tissue, focusing particularly on frozen t

The RNA integrity number (RIN) is a frequently used quality metric to assess the completeness of rRNA, as a proxy for the corresponding mRNA in a tissue. Current methods operate at bulk resolution and provide a single average estimate for the whole sample. Spatial transcriptomics technologies have emerged and shown their value by placing gene expression into a tissue context, resulting in transcri

From the catalytic, semiconducting, and optical properties of zinc oxide (ZnO) numerous potential applications emerge. For the physical and chemical properties of the surface, under-coordinated atoms often play an important role, necessitating systematic studies of their influence. Here we study the vicinal ZnO(10 1 ¯ 4) surface, rich in under-coordinated sites, using a combination of several expe

Responding to today's often transboundary emergencies, frequently characterized by unclear root causes and indistinct responsibilities as well as multiple actors, will require that responding actors come together to meet societal needs and solve problems arising in relation to those needs. In collective problem solving, representing the problem is crucial, especially in emergency situations, where

The Danish religious landscape has been significantly transformed, especially during the last three decades. This transformation is marked by the shift from near religious hegemony towards a much more diverse religious population. Originally, the Danish Lutheran state church was closely intertwined with the governmental administration of the country after the reformation in Denmark of 1536 and the

The minimization of a functional consisting of a combined L 1/L 2-data-fidelity term and a total variation term, named L 1-L 2-TV model, is considered to remove a mixture of Gaussian and impulse noise in images, which are possibly additionally deformed by some convolution operator. We investigate analytically the stability of this model with respect to its parameters and link it to a constrained m

This paper assesses water quality that is used for vegetable irrigation in Tamale Metropolis, Ghana. A mixed-method of research design was employed in this study to collect and analyze the data based on survey instruments. The paper found that Escherichia coli (E. coli) that is usually used as an indicator of water contamination and heavy metals exist in all taken water samples. The mean concentra