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Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase

Nitrogenase is the only enzyme that can cleave the triple bond in N2, making nitrogen available to plants (although the enzyme itself is strictly microbial). It has been studied extensively with both experimental and computational methods, but many details of the reaction mechanism are still unclear. X-ray crystallography is the main source of structural information for biomacromolecules, but it h

Which countries are prepared to green their coal-based steel industry with electricity? - Reviewing climate and energy policy as well as the implementation of renewable electricity

Global steel production is currently dependent on coal and capital-intensive production facilities with long economic lifetimes. While the Paris Agreement means carbon neutrality must be reached globally by 2050–2070, with negative emissions thereafter, coal-based steel production today accounts for around 8% of global energy-related CO2 emissions. Its production may stabilize or even decline in i

Differentiated Citizenship: Multiculturalism, Secularism and India's Foreign Policy

The Nehruvian policies propagated upon India’s independence envisaged no place for religion in political mobilization. Still, religion has continued to affect and influence Indian politics, even as India has become progressively affected by processes of liberalization and globalization. The particular politics of Indian secularism was based on keeping a distance from matters of faith and custom. H

I geoekonomins tid

It is increasingly evident that the centre of gravity of international relations is shifting in the direction of Asia. China’s economic and political rise is the single most important dimension of this development. This coincides with fading American hegemony, obvious during, but in essence not limited to, the Trump Presidency. These actor-level changes take place within a context of structural chIt is increasingly evident that the centre of gravity of international relations is shifting in the direction of Asia. China’s economic and political rise is the single most important dimension of this development. This coincides with fading American hegemony, obvious during, but in essence not limited to, the Trump Presidency. These actor-level changes take place within a context of structural ch

Spectral Analysis of Body Movement during Deep Brain Stimulation in Parkinson's Disease

Background: The characteristics of Parkinson's disease (PD) include postural instability and resting tremor. However, reductions of tremor amplitude do not always improve postural stability. Research question: What is the effect of deep brain stimulation (DBS) of the subthalamic nucleus (STN) on spectral analysis of body movement in patients with PD when tested without anti-PD medication? The effe

Binding of the human antioxidation protein α1-microglobulin (A1M) to heparin and heparan sulfate. Mapping of binding site, molecular and functional characterization, and co-localization in vivo and in vitro

Heparin and heparan sulfate (HS) are linear sulfated disaccharide polymers. Heparin is found mainly in mast cells, while heparan sulfate is found in connective tissue, extracellular matrix and on cell membranes in most tissues. α1-microglobulin (A1M) is a ubiquitous protein with thiol-dependent antioxidant properties, protecting cells and matrix against oxidative damage due to its reductase activi

Geomagnetic dipole moment variations for the last glacial period inferred from cosmogenic radionuclides in Greenland ice cores via disentangling the climate and production signals

The geomagnetic dipole moment (GDM) modulates the production rates of cosmogenic radionuclides via the shielding of galactic cosmic rays. Therefore, it is possible to use this linkage to reconstruct past changes in the GDM based on cosmogenic radionuclide records from natural archives such as ice cores. Here we present a GDM reconstruction based on 10Be and 36Cl data from two Greenland ice cores f

Human influence on the continental Si budget during the last 4300 years : δ30Sidiatom in varved lake sediments (Tiefer See, NE Germany)

The continental silicon (Si) cycle, including terrestrial and freshwater ecosystems (lakes, rivers, estuaries), acts as a filter and modulates the amount of Si transported to the oceans. In order to link the variation in the terrestrial Si cycle to aquatic ecosystems, knowledge on changes in vegetation cover, soil disturbance and the impact of human activity are required. This study on varved lake

Combined lifestyle factors and the risk of LADA and type 2 diabetes – Results from a Swedish population-based case-control study

Aims: We investigated the risk of latent autoimmune diabetes in adults (LADA) and type 2 diabetes in relation to a healthy lifestyle, the proportion of patients attributable to an unhealthy lifestyle, and the influence of family history of diabetes (FHD) and genetic susceptibility. Methods: The population-based study included incident LADA (n = 571), type 2 diabetes (n = 1962), and matched control

A European Registry Evaluating Symptomatic Effectiveness of Pharmacologically Treated Patients with Lower Urinary Tract Symptoms due to Benign Prostatic Enlargement : Lessons Learned

PURPOSE: We evaluated unmet needs of lower urinary tract symptoms-benign prostatic enlargement pharmacological treatment by measuring symptom improvement, persistence and deterioration in real life. A prospective registry was conducted for 24 months in 5 European countries and analyzed by the European Association of Urology Research Foundation. MATERIALS AND METHODS: Previously untreated and treat

A SET route to Ethyl Carboxylic Acid from Ethanol and Carbon Monoxide

As a hypothetical experiment the reaction between carbon monoxide and ethanol to form an ethyl carboxylic acid has been considered. The SET model for catalysis is used. The effect of the catalyst COS on the reactivity of these two species is found to lead to the expected result.

Emergence of an agriculture innovation system in Rwanda: Stakeholders and policies as points of departure

The concept of an innovation system is used to understand how innovation contributes to economic growth. However, innovation systems do not evolve evenly in different parts of the world. This paper contributes to the ongoing debate on the emergence of innovation systems in the context of developing countries. It uses the Rwandan case, where agriculture is a dominant socio-economic sector with high

Dynamic band-shift signal in two-dimensional electronic spectroscopy : A case of bacterial reaction center

Optical nonlinear spectroscopies carry a high amount of information about the systems under investigation; however, as they report polarization signals, the resulting spectra are often congested and difficult to interpret. To recover the landscape of energy states and physical processes such as energy and electron transfer, a clear interpretation of the nonlinear signals is prerequisite. Here, we

A randomised, open-label trial to assess the optimal treatment strategy in early diffuse cutaneous systemic sclerosis : The UPSIDE study protocol

Introduction Systemic sclerosis (SSc) is a chronic, autoimmune connective tissue disease associated with high morbidity and mortality, especially in diffuse cutaneous SSc (dcSSc). Currently, there are several treatments available in early dcSSc that aim to change the disease course, including immunosuppressive agents and autologous haematopoietic stem cell transplantation (HSCT). HSCT has been ado

An analysis of ammonia synthesis by the model of Selective Energy Transfer (SET)

The SET theory implies that energy is transferred from the catalyst system via infrared radiation to the molecules that are supposed to react. In previous investigations it has been demonstrated that the activation of the reacting species-as long as the molecules are infrared active-can occur at low adsorption strength. However, for molecules that are IR inactive, e.g. dinitrogen, this is not poss

Utility of Fetal Cardiovascular Magnetic Resonance for Prenatal Diagnosis of Complex Congenital Heart Defects

Importance: Prenatal diagnosis of complex congenital heart defects reduces mortality and morbidity in affected infants. However, fetal echocardiography can be limited by poor acoustic windows, and there is a need for improved diagnostic methods.Objective: To assess the clinical utility of fetal cardiovascular magnetic resonance imaging in cases in which fetal echocardiography could not visualize a

Ab initio electronic factors of the A and B hyperfine structure constants for the 5s25p6s1,3P01 states in Sn I

Large-scale ab initio calculations of the electronic contribution to the electric quadrupole hyperfine constant B were performed for the 5s25p6s1,3Po1 excited states of neutral tin. To probe the sensitivity of B to different electron correlation effects, three sets of variational multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations employing different strat