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The coordination number of the catalytic zinc ion in alcohol dehydrogenase has been studied by integrated ab initio quantum-chemical and molecular mechanics geometry optimisations involving the whole enzyme. A four-coordinate active-site zinc ion is 100-200 kJ/mol more stable than a five-coordinate one, depending on the ligands. The only stable binding site for a fifth ligand at the zinc ion is op
Spontaneous osteonecrosis of the knee (SONK) is a feared condition of unknown cause, in its classic form appearing in the medial femoral condyle in middle-aged or elderly subjects. Diagnosis with radiography is notoriously difficult with a long latency before typical changes appear. Magnetic resonance imaging (MRI) is regarded as a diagnostic tool with the possibility to give an earlier diagnosis
Nocturnal insects have evolved remarkable visual capacities, despite small eyes and tiny brains. They can see colour, control flight and land, react to faint movements in their environment, navigate using dim celestial cues and find their way home after a long and tortuous foraging trip using learned visual landmarks. These impressive visual abilities occur at light levels when only a trickle of p
In this study, we investigated the ability of Ru(ii) polypyridyl complexes to act as DNA binders. The substitution reactions of three Ru(ii) chlorophenyl terpyridine complexes, i.e. [Ru(Cl-Ph-tpy)(en)Cl]Cl (1), [Ru(Cl-Ph-tpy)(dach)Cl]Cl (2) and [Ru(Cl-Ph-tpy)(bpy)Cl]Cl (3) (Cl-Ph-tpy = 4′-(4-chlorophenyl)-2,2′:6′,2′′-terpyridine, en = 1,2-diaminoethane, dach = 1,2-diaminocyclohexane, bpy = 2,2′-bi
BACKGROUND: Autonomic disorders of the cardiovascular system, such as orthostatic hypotension and elevated resting heart rate, predict mortality and cardiovascular events in the population. Low-energy-fractures constitute a substantial clinical problem that may represent an additional risk related to such autonomic dysfunction.AIMS: To test the association between orthostatic hypotension, resting
There are several well-known risk factors for work-related musculoskeletal disorders (MSDs). Despite this knowledge, too many people still work in harmful conditions. The absence of occupational exposure limits (OELs) for physical workload impedes both supervision and preventive work. To prevent myalgia, tendon disorders, and nerve entrapments in the upper musculoskeletal system, we propose action
The United Nations is the arena for a renewed push to regulate transnational corporations (TNCs) and their supply chains. This article analyses the ongoing efforts of a multilateral organization to strengthen the human rights legal framework, especially the design choices posed by the treaty negotiations as well as the role of the UN Human Rights Council in the broader regulatory ecosystem around
The quantizer problem is a tessellation optimization problem where point configurations are identified such that the Voronoi cells minimize the second moment of the volume distribution. While the ground state (optimal state) in 3D is almost certainly the body-centered cubic lattice, disordered and effectively hyperuniform states with energies very close to the ground state exist that result as sta
A numerical method was used to study the effect of the broken rib locations on the heat transfer and flow structure in the latticework duct with various rotational numbers. The latticework duct had eleven subchannels on both the pressure side and the suction side. The crossing angle for each subchannel was 45 deg. The numerical studies were conducted with five different broken rib locations and si
This paper presents a measurement of forward-forward and forward-central dijet azimuthal angular correlations and conditional yields in proton-proton (pp) and proton-lead (p+Pb) collisions as a probe of the nuclear gluon density in regions where the fraction of the average momentum per nucleon carried by the parton entering the hard scattering is low. In these regions, gluon saturation can modify
A measurement of the associated production of a top-quark pair (tt) with a vector boson (W, Z) in proton-proton collisions at a center-of-mass energy of 13 TeV is presented, using 36.1 fb-1 of integrated luminosity collected by the ATLAS detector at the Large Hadron Collider. Events are selected in channels with two same- or opposite-sign leptons (electrons or muons), three leptons or four leptons
To improve the accuracy of indoor positioning systems it can be useful to combine different types of sensor data. This paper describes deep learning methods both for estimating absolute positions and for performing pedestrian dead reckoning, and then how to combine the resulting estimates using weighted least squares optimization. The positioning model is based on a custom neural network which use
Aim: The metabolite 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid (CMPF) is a fatty fish–intake biomarker. We investigated the association between plasma levels of CMPF in relation to gingival inflammation and periodontitis case definition, as well as the extent and severity variables. Materials and Methods: The Malmö Offspring Study is a population-based study, and the Malmö Offspring Dental
This chapter explores the relationship between public agencies and archival authorities in Denmark and Sweden regarding recordkeeping practices, born-digital records, and archival legislation. We provide a 360-degree look at recordkeeping within the Nordic Model, taking our point of departure from the records continuum model. The Danish and Swedish approaches we discuss predate the records continu
Using data from southern Sweden, this work analyses the development of maternal and infant health in five rural parishes and the town of Landskrona in Scania, Sweden, in the last 110 years. First, we address the overall development of maternal, perinatal and infant health using a range of indicators, such as maternal mortality, neonatal mortality, and stillbirth rates. We also describe how institu
