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We have studied the geometry and singlet-triplet energy difference of two mono-nuclear Ni2+ models related to the active site in [NiFe] hydrogenase. Multiconfigurational second-order perturbation theory based on a complete active-space wavefunction with an active space of 12 electrons in 12 orbitals, CASPT2(12,12), reproduces experimental bond lengths to within 1 pm. Calculated singlet-triplet ene

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Background: Conventional radiography is insufficient for diagnosis in a small but not unimportant number of hip fractures, and secondary imaging with computed tomography (CT) or magnetic resonance imaging (MRI) is warranted. There are no convincing observer variation studies performed for conventional radiography or CT in occult fractures, and no large materials for MRI. Purpose: To assess observe

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Dose conversion coefficients relating the kerma free-in-air to effective dose have been studied. In order to do so a sampling scheme encompassing all the risk organs and tissues was developed for the Alderson RANDO phantom. Preliminary results are shown for some specific organs irradiated with a point source in the laboratory.

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This Letter presents a search for a hidden-beauty counterpart of the X(3872) in the mass ranges of 10.05-10.31 GeV and 10.40-11.00 GeV, in the channel X-b -> pi(+)pi(-)gamma(1S)(-> mu(+)mu(-)), using 16.2 fb(-1) of root s = 8 TeV pp collision data collected by the ATLAS detector at the LHC. No evidence for new narrow states is found, and upper limits are set on the product of the Xb cross section

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A concept for time-sensitive optical detectors is described that shows how to confirm whether the detection device is operating in the linear response regime. By evaluating the recorded time decay of a thermographic phosphor, even weak saturation effects far from obvious situations can be identified and further related to either optical or electrical saturation. The concept has been validated by r

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Assays detecting antigen (Ag)-specific T-cell responses in immune-mediated processes are increasingly employed to understand disease pathogenesis and "immune staging". The quantity and quality of starting peripheral blood mononuclear cell (PBMC) preparations are important factors in the performance of such assays. We therefore compared final PBMC yield and function by modifying parameters at the b

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A means for noninvasive measurement of transverse and longitudinal characteristics of bunched beams in synchrotrons has been developed based on high sensitivity slotted waveguide pickups. The pickups allow for bandwidths exceeding hundreds of MHz while maintaining good beam sensitivity characteristics. Wide bandwidth is essential to allow bunch-by-bunch measurements by means of a fast gate. The Sc

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The biothiols sensing mechanism of (E)-7-(diethylamino)-3-(2-nitrovinyl)-2H-chromen-2-one (DCO) has been investigated using the density functional theory (DFT) and time-dependent DFT methods. The theoretical results indicate that the excited-state intermolecular hydrogen bonding (H-B) plays an important role for the biothiols sensing mechanism of the fluorescence sensor DCO. Multiple H-B interacti

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Stable isotope analysis provides a powerful tool for describing the energetic pathways in a variety of ecosystems. However, isotope ratios of animal tissues can be altered by preservation methods, potentially leading to biased estimates of energy pathways when they are not taken into account. Here, we investigated the direct preservation effects of formalin, ethanol, NaCl, and drying on the delta

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OBJECTIVE: The aim of the study was to examine the double locked-in phenomenon at work (i.e., being in a non-preferred occupation and non-preferred work place), and its associations to psychological health, physical health and job satisfaction. METHODS: A total of 136 municipal employees who visited a career coaching center (response rate 59%) participated in the questionnaire study. RESULTS: The

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Arbetsrelaterade skador orsakar personligt lidande och ekonomiska förluster för både företag och privatpersoner. Repetitivt arbete och statiska arbetsställningar med armarna kan leda till belastningsskador i axel- och halsregionen. Detta examensarbete har haft som syfte att utveckla ett mjukt bärbart robotsystem med Bioservo Technologies Soft Extra Muscle (SEM) teknik, som ska ge assistans vid lyfWork related injuries causes personal suffering and economic loss for both companies and individuals. Repetitive work and static postures with the arms can lead to musculoskeletal disorders (MSD) in the shoulder and neck region. This thesis set out to develop a wearable soft robotic arm lifting system using Bioservo Technologies’ Soft Extra Muscle (SEM) technology. The objective was to develop a f

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En två-kolonn MCSGP process för upprening av Liraglutid genomfördes i laboratorieskala. Den här processen är inte en kommersiell uppreningsprocess, utan att den är ett modellsystem med en realistisk peptidblandning och med en icke-kommersiell harts. Först modellerades processen med en konvektiv dispersiv modell för att beskriva koncentrationen genom kolonnen och den steriska massaktionsmodellen föA twin-column MCSGP process for the purification of Liraglutide was implemented at lab scale. This process is not a commercial separation step, but it is a model system with a realistic peptide mixture and with a non-commercial resin. First, the process was modeled using a convective dispersive model to describe the concentration along the column and the steric mass action model to describe the ad

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This master’s thesis report describes the development of a new system for control and monitoring of a helium liquefaction plant which has been carried out at Kryolab, Lund University. At the plant, helium gas is purified and then cooled in several steps until it condensates. The plant is very similar to the ones constructed today, but Kryolab wished to replace the outdated control system. The new

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A model of the Swedish power plant Mälardalen Energi, developed by Solvina AB was simulated in Dymola with different types of control strategies in order to evaluate if they could improve the operational flexibility of the plant and, thus, its ability to deliver frequency control to the Swedish power grid. Several different control strategies and process modifications were tested and compared to p

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In order to transform the fossil fuel dependent transport sector the promotion of biofuels has been crucial in the European Union’s transition towards climate neutrality. To ensure the sustainability of biofuels the European Commission published a Delegated Act on March 13th 2019, proposing the gradual phase-out of high emitting biofuels that may cause indirect land use change (ILUC) – one of them

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The Light Dark Matter Experiment (LDMX) is a fixed target experiment that will search for dark matter, but is still in the development phase. An important aspect for the experiment is the discrimination of signal and background events. Here this signal and background discrimination is inspected using a machine learning technique called a Boosted Decision Tree (BDT). This is done using Monte Carlo

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This thesis set out to continue the development of a short-wave infrared (SWIR) optical parametric amplifier (OPA). The system is based on a Yb-ber chirped pulse amplification (CPA) laser delivering 400 fs long pulses, centered around 1030 nm, at 200 kHz repetition rate and 40 W average power. The thesis focuses on pulse characterization, through use of frequency-resolved optical gating (FROG), of

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Cerebral Palsy (CP) has an impact on muscles and movement. This happens due to brain damage before the age of two years. Either sometimes before birth, during childbirth or after birth. According to hjarnfonden.se, 200 children are added annually in Sweden with CP. People living with CP have these weaknesses for the rest of their lives. CP is not progressive disorder, that means brain damage can’