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Coulomb (Velocity) Gauge Recommended in Multiconfiguration Calculations of Transition Data Involving Rydberg Series

Astronomical spectroscopy has recently expanded into the near-infrared (nIR) wavelength region, raising the demands on atomic transition data. The interpretation of the observed spectra largely relies on theoretical results, and progress towards the production of accurate theoretical data must continuously be made. Spectrum calculations that target multiple atomic states at the same time are by no

Circular Business Models that Extend Product Value : Going Beyond Recycling to Create New Circular Business Opportunities

Over the past ten years, significant industry, policy, and scientific attention has been given to the ‘circular economy’, which aims to create a more sustainable society by decoupling economic growth from resource consumption. Firms are expected to play a significant role in the shift to a circular economy model by implementing circular business models that encourage prolonged use of products, com

Time-dependent diffusion in undulating thin fibers : Impact on axon diameter estimation

Diffusion MRI may enable non-invasive mapping of axonal microstructure. Most approaches infer axon diameters from effects of time-dependent diffusion on the diffusion-weighted MR signal by modeling axons as straight cylinders. Axons do not, however, propagate in straight trajectories, and so far the impact of the axonal trajectory on diameter estimation has been insufficiently investigated. Here,

Spatiotemporal reconstructions of global CO2-fluxes using Gaussian Markov random fields

Atmospheric inverse modeling is a method for reconstructing historical fluxes of green-house gas between land and atmosphere, using observed atmospheric concentrations and an atmospheric tracer transport model. The small number of observed atmospheric concentrations in relation to the number of unknown flux components makes the inverse problem ill-conditioned, and assumptions on the fluxes are nee

Experimental Phenomenology in Mindfulness Research

The present paper argues that experimental phenomenology has an important role to play in research on mindfulness. Experimental phenomenology is defined as a subcategory of phenomenology (defined as the science of our subjective experience of being in the world), which explores the effects of intentional variations of subjective experiencing (direction of attention and choice of attitude) on subse

A theory stuck in evolutionary and historical time

We argue that the two temporal cognition systems are conceptually too confined to be helpful in understanding the evolution of temporal cognition. In fact, we doubt there are two systems. In relation to this, we question that the authors did not describe the results of our planning study on ravens correctly, as this is of consequence to their theory.

Limits to polycentricity? Institutional layering and policy feedbacks of building energy performance requirements in Sweden

Local governments have come to play an increasingly active role in addressing current environmental challenges. In addition to improving the environmental performance of a specific city, such initiatives can potentially spur policy change at other levels of government and thereby contribute to the addressing of global environmental challenges. This type of interplay between local and higher levels

Interactive model building in neutron macromolecular crystallography

This chapter aims to give an overview of the process of interactive model building in macromolecular neutron crystallography for the researcher transitioning from X-ray crystallography alone. The two most popular programs for refinement and model building, phenix.refine and Coot, respectively, are used as examples, and familiarity with the programs is assumed. Some work-arounds currently required

Pregnancy outcome in women with gestational diabetes – A longitudinal study of changes in demography and treatment modalities

Introduction: Gestational diabetes is on the rise and demographics are changing in many countries due to increased migration. Simultaneously, the treatment of gestational diabetes in our clinic has shifted towards metformin with substantially less insulin treatment. The aim was to study the impact of these changes on metabolic control and pregnancy outcome by comparing women diagnosed with gestati

Communicating emotional state and personality with eye-color and light intensity

We conducted two experiments where subjects rated images of a robot head with different eye colors and light intensities on how well they communicate emotions like anger, enjoyment, and surprise, as well as personality traits like friendliness, intelligence, and level of trust. Results indicate e.g. that green and turquoise eye colors were more associated with agreeable personality traits. We foun

Higher plasma fibroblast growth factor 23 levels are associated with a higher risk profile in pulmonary arterial hypertension

Metabolic abnormalities are proposed to contribute to pulmonary arterial as well as right ventricular remodelling in pulmonary arterial hypertension. Among the proposed abnormalities are altered glucose and lipid processing, mitochondrial malfunction, oxidative stress as well as vitamin D and iron abnormalities. In the present study, we investigated 11 metabolic plasma biomarkers, with the hypothe

Effect of exchange of the cysteine molybdenum ligand with selenocysteine on the structure and function of the active site in human sulfite oxidase

Sulfite oxidase (SO) is an essential molybdoenzyme for humans, catalyzing the final step in the degradation of sulfur-containing amino acids and lipids, which is the oxidation of sulfite to sulfate. The catalytic site of SO consists of a molybdenum ion bound to the dithiolene sulfurs of one molybdopterin (MPT) molecule, carrying two oxygen ligands, and is further coordinated by the thiol sulfur of

Identification of a bis-molybdopterin intermediate in molybdenum cofactor biosynthesis in escherichia coli

The molybdenum cofactor is an important cofactor, and its biosynthesis is essential for many organisms, including humans. Its basic form comprises a single molybdopterin (MPT) unit, which binds a molybdenum ion bearing three oxygen ligands via a dithiolene function, thus forming Mo-MPT. In bacteria, this form is modified to form the bis-MPT guanine dinucleotide cofactor with two MPT units coordina

Site-selective x-ray spectroscopy on an asymmetric model complex of the [FeFe] hydrogenase active site

The active site for hydrogen production in [FeFe] hydrogenase comprises a diiron unit. Bioinorganic chemistry has modeled important features of this center, aiming at mechanistic understanding and the development of novel catalysts. However, new assays are required for analyzing the effects of ligand variations at the metal ions. By high-resolution X-ray absorption spectroscopy with narrow-band X-

O 2 reactions at the six-iron active site (H-cluster) in [FeFe]-hydrogenase

Irreversible inhibition by molecular oxygen (O 2) complicates the use of [FeFe]-hydrogenases (HydA) for biotechnological hydrogen (H 2) production. Modification by O 2 of the active site six-iron complex denoted as the H-cluster ([4Fe4S]-2Fe H) of HydA1 from the green alga Chlamydomonas reinhardtii was characterized by x-ray absorption spectroscopy at the iron K-edge. In a time-resolved approach,