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The enzyme nitrogenase contains a complicated MoFe7CS9 cofactor with 35 possible broken- symmetry (BS) states. We have studied how the energies of these states depend on the geometry, the surrounding protein, the DFT functional and the basis set, studying the resting state, a one- electron reduced state and a protonated state. We find that the effect of the basis set is small, up to 11 kJ/mol. Lik
The development of business ecosystems in smart cities is currently hampered by the absence of established approaches for facilitating long-term value and sustainability. In our view, the underlying reason is the lack of collective action involving various organizations in the design process. Collective action for the good of the whole ecosystem does not take place in existing participatory practi
Är det något särskilt med äldres missbruksproblem? Finns det en ålder då samhället bör ge upp ambitionen att ge behandling och i stället sträva efter att skapa ett värdigt liv? Är lågtröskelboenden där äldre får fortsätta missbruka en värdig och human lösning? Eller ett uttryck för ålderism där samhället ger upp ambitionen att förändra livet för äldre personer?
Haemophilia B (HB) is a rare inherited bleeding disorder caused by the deficiency of coagulation factor IX (FIX). The major clinical issues are bleedings, often targeting the joints, and the development of neutralising antibodies, i.e. inhibitors, to the FIX replacement therapy. Historically HB has been seen as identical to the more common haemophilia A (HA), i.e. deficiency of coagulation factor
COVID-19 is a major public health threat associated with increased disease burden, mortality, and economic loss to countries and communities. Safe and efficacious COVID-19 vaccines are key in halting and reversing the pandemic. Low confidence in vaccines has been one of the factors leading to hesitancy. We aimed to assess the COVID-19 vaccine confidence (safety and effectiveness), associated facto
It has often been argued that the Earth is like an island in space and that its brittleness is most clearly reflected on small islands in the oceans. Easter Island, in particular, with its largely depleted resources, has been seen as a microcosmic warning about what could happen to our entire planet. However, the analogy of the Earth and islands with finite natural resources is not self-evident fr
Objective: To investigate the feasibility of active heart sparing (AHS) planning in patients with locally advanced and centrally located NSCLC receiving standard definitive radiotherapy (RT), while maintaining or improving appropriate lung, esophagus, and spinal cord constraints and planning target volume (PTV) coverage intent. Methods and materials: A total of 27 patients with stage IIIA/B NSCLC
The purpose of this thesis is to explore and analyze the processes and efforts involved in rebuilding the war-torn state of Afghanistan. The examined period span from the fall of the Taliban regime in 2001, to the elections in 2005. This period, commonly known as the Bonn-process, sets out the initial time for the reconstruction of the state. A theoretical framework, which considers the necessary
BACKGROUND: As mild cognitive impairment (MCI) is typically used to identify prodromal stages of dementia, it is essential to identify MCI criteria with high diagnostic stability and prediction of dementia. Moreover, further investigation into pinpointing key factors for reversion is required to foresee future prognosis of MCI patients accurately.OBJECTIVE: To explore disparities in diagnostic sta
Silene latifolia (white campion) is widespread in W Eurasia and shows clinal variation in seed morphology. Two extensive parapatric races, within which seed morphology changes gradually with geographic distance, are separated by a transition zone where the morphological gradient is steeper. A sample of seeds from across the species' native range was scored for morphological characters and analysed
BACKGROUND: Few studies have assessed the mental health of principals, or studied associations with both organizational and social work environment factors and occupational balance. The purpose of the present study was therefore to investigate associations between supporting and demanding organizational and social work environment factors, occupational balance and stress symptoms in principals.MET
The annual growth cycle of boreal trees is synchronized with seasonal changes in photoperiod and temperature. A warmer climate can lead to an earlier bud burst and increased risk of frost damage caused by temperature backlashes. In this study we analysed site- and provenance specific responses to interannual variation in temperature, using data from 18 Swedish and East-European provenances of Norw
Alzheimer's disease (AD) has been associated with increased local inflammation in the affected brain regions, and in some studies also with elevated levels of proinflammatory cytokines in peripheral blood. Cytomegalovirus (CMV) is known to promote a more effector-oriented phenotype in the T-cell compartment, increasing with age. The aim of this study was to investigate the inflammatory response of
Purpose: Bilateral adrenalectomy (BA) still plays an important role in the management of Cushing's disease (CD). Nelson’s syndrome (NS) is a severe complication of BA, but conflicting data on its prevalence and predicting factors have been reported. The aim of this study was to determine the prevalence of NS, and identify factors associated with its development. Data sources: Systematic literature
Background: Management of schizophrenia is sub-optimal in many patients. Targeting negative symptoms, among the most debilitating aspects of schizophrenia, together with positive symptoms, can result in significant functional benefits and dramatically improve quality of life for patients and their carers. Cariprazine, a partial agonist of the dopamine receptors D2/D3 has demonstrated effectiveness
Measurements of atmospheric composition have been made over a remote rainforest landscape. A box model has previously been demonstrated to model the observed daytime chemistry well. However the box model is unable to explain the nocturnal measurements of relatively high [NO] and [O3], but relatively low observed [NO2]. It is shown that a one-dimensional (1-D) column model with simple O3-NOx chemis
Spirocyclic acetal structures have recently received growing attention in polymer science due to their dual potential to raise the glass transition temperature (Tg) and enable chemical recycling of biobased polymers. In the present work, a vanillin-based diol with a spirocyclic acetal structure was incorporated in a series of rigid amorphous polyesters based on neopentyl glycol and dimethyl
The paper presents a study of key aspects in the design of a flexible unified data plane capable of integrating both fronthaul and backhaul transport in future 5G systems. In this study, we first review candidate access and multiplexing technologies from the state of the art and assess their capability to support legacy and new fronthaul and backhaul traffic. We then propose a new design framework
