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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

OBJECTIVES: Mental ill-health has become a large health problem and it is important for caregivers to provide effective treatment alternatives. REGASSA is a randomized controlled study performed in primary care to study the effects of 12 weeks of Internet-based cognitive behaviour therapy (ICBT) and physical exercise (PE) compared with treatment as usual (TAU) in patients with mild-to-moderate men

Reconstructions of the geomagnetic field in the past represent a useful tool not only to investigate the geodynamo process, but also to estimate the effect of geomagnetic shielding for any studies on cosmogenic radionuclides and galactic cosmic rays. A number of new millennial-scale geomagnetic field reconstructions have been published over the last years, based on improved global archeo- and pale

This paper presents a probabilistic approach to analyse evacuation movement data. The approach relies on a detailed video analysis of people movement and pattern reconstruction. Conditional probabilities for travel path trajectories, walking speeds, and physical area occupied on stair landings are calculated for the evacuee population. The approach has been applied as a case study using data from

This study addresses development of a content-valid cross-Nordic version of the Housing Enabler and investigation of its inter-rater reliability when used in occupational therapy rating situations, involving occupational therapists, clients, and their home environments. The instrument was translated from the original Swedish version of the Housing Enabler, and adapted according to accessibility no

The application of treated sewage sludge on farmland is a suggested method for recycling nutrients and reducing demand for commercial fertilizer. However sludge needs to be safe from possible contaminants which can cause acute and long-term health and environmental problems. Residual pharmaceuticals and organic contaminants are mentioned as emerging threats since wastewater treatment plants are no

Popular Abstract in Swedish Avhandlingen studerar flera olika algoritmiska problem inom grafteori och geometri, applikationerna sträcker sig från kretskortsdesign till matrismultiplikation. Vi börjar med att studera en grafteoretisk modell för det så kallade "firefigher problem". Målet med detta problemet är att rädda så mycket som möjligt av en given area genom att placera ut brandmän på relevaThis thesis studies several different algorithmic problems in graph theory and in geometry. The applications of the problems studied range from circuit design optimization to fast matrix multiplication. First, we study a graph-theoretical model of the so called ''firefighter problem''. The objective is to save as much as possible of an area by appropriately placing firefighters. We provide both n

Opioids modulate the perception of breathlessness with a considerable variation in response, with poor correlation between the required opioid dose and symptom severity. The objective of this hypothesis-generating, secondary analysis was to identify candidate single nucleotide polymorphisms (SNP) from those associated with opioid receptors, signalling or pain modulation to identify any related to

Carotenoids are known for their antioxidant activity and health promoting effects. One of the richest sources of carotenoids are carrots. However, about 25% of the annual production is regarded as by-products due to strict market policies. The aim of this study was to extract carotenoids from those by-products. Conventional carotenoid extraction methods require the use of organic solvents, which a

Popular Abstract in Swedish Populärvetenskaplig sammanfattning på svenska Ben är ett levande material som ständigt omsätts och förnyas. Benvävnaden känner av den omgivande miljön och kan anpassa sig till förändringar i det dagliga livet och vid enskild punktbelastning. Precis som andra organ i kroppen kan benet drabbas av skador och sjukdomar men har en unik förmåga att läka helt utan ärrbildningAbstract Background Osteonecrosis (ON) is defined by the in situ death of bone cells, osteocytes, hematopoietic and fatty marrow precursor cells. Events and risk factors known to be associated with ON are femoral neck fracture, hip dislocation, slipped capital femoral epiphysis in children, humeral head fracture and insufficiency fractures in load-bearing joints. The etiology of non-traumatic ON

A fundamental part of many computer algorithms involves traversing a binary tree. One notable example is traversing a space-partitioning acceleration structure when computing ray-traced images. Traditionally, the traversal requires a stack to be temporarily stored for each ray, which results in both additional storage and memory-bandwidth usage. We present a novel algorithm for traversing a binary

To investigate the feasibility of multiecho balanced steady-state free precession (bSSFP)-based fast chemical shift mapping hyperpolarized C-13 metabolites. The overall goal was to reduce total imaging time and to increase spatial resolution compared to common chemical shift imaging (CSI). A multiecho bSSFP sequence in combination with an iterative reconstruction algorithm was implemented. H-1 exp

The luminosity calibration for the ATLAS detector at the LHC during pp collisions at root s = 7 TeV in 2010 and 2011 is presented. Evaluation of the luminosity scale is performed using several luminosity-sensitive detectors, and comparisons are made of the long-term stability and accuracy of this calibration applied to the pp collisions at root s = 7 TeV. A luminosity uncertainty of delta L/L = +/

The aim of this thesis was to explore and gain deeper insight into and understanding of mobility in public environments for people with acquired cognitive functional limitations (target group of this thesis) and of reasons why some of them do not use public transport. Using an explorative approach, the target group’s mobility was firstly discussed by experts in focus group interviews. Secondly the

The aim of this thesis is to solve an inverse source problem. The approach is based on an integral representation together with the extinction theorem. Both a scalar and a full-wave integral representation are implemented and solved by a Method of Moment procedure. The body of revolution enables usage of a Fourier transform to reduce the dimensions of the problem. A singular value decomposition is

Germline BRCA1 mutations predispose to breast cancer. To identify genetic modifiers of this risk, we performed a genome-wide association study in 1,193 individuals with BRCA1 mutations who were diagnosed with invasive breast cancer under age 40 and 1,190 BRCA1 carriers without breast cancer diagnosis over age 35. We took forward 96 SNPs for replication in another 5,986 BRCA1 carriers (2,974 indivi

Genetic alterations underlying the development of the cancer of the nose and paranasal sinuses (sinonasal cancer, SNC), a rare cancer that can be included in the group of head and neck cancers, are still largely unknown. We recently reported that TP53 mutations are a common feature of SNC, with an overall frequency of 77%, and they show association to adenocarcinoma and wood-dust exposure [15]. In