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A common approach for the computational modeling of enzyme reactions is to study a rather small model of the active site (20-200 atoms) with quantum mechanical (QM) methods, modeling the rest of the surroundings by a featureless continuum with a dielectric constant of approximately 4. In this paper, we discuss how the residues included in the QM model should be selected and how many residues need
Brain injury is the dominant cause of death for cardiac arrest patients who are admitted to an intensive care unit, and the majority of patients die after withdrawal of life sustaining therapy (WLST) based on a presumed poor neurologic outcome. Mild induced hypothermia was found to decrease the reliability of several methods for neurological prognostication. Algorithms for prediction of outcome, t
The recent progress in our work to implement salt (NaCl) as a dosemeter is presented. Laboratory investigations have indicated a linear dose response from 1 mGy to about 100 mGy and detection limits down to 0.1 mGy. Investigations in the clinic comparing TL-dosimetry in LiF and OSL in NaCl have indicated a similar dose response for the two dosemeters at different photon energies. Field studies wit
BACKGROUND: Female sex pheromones attracting mating partners over long distances are a major determinant of reproductive isolation and speciation in Lepidoptera. Males can also produce sex pheromones but their study, particularly in butterflies, has received little attention. A detailed comparison of sex pheromones in male butterflies with those of female moths would reveal patterns of conservatio
An approach for merging statically schedulable subr egions in dataflow models is pr esented. The approach combines abstr act int erpr etation, loop analysis, and static scheduling of cyclo-static dataflow networ ks. The approach has been implemented in a Java-based tool that per forms automatic classification of dataflow act or s, generat ion of stat ic schedules using constr aint programming, and
We report on the use of grazing-incidence time-resolved x-ray diffraction to investigate the evolution of strain in natural graphite excited by femtosecond-laser pulses in the fluence range of 6-35 mJ/cm(2). Strains corresponding to up to similar to 2.8% c-axis expansion were observed. We show that the experimental data is in good agreement with calculations based on the Thomsen strain model in co
High malignancy and early metastasis are hallmarks of melanoma. Here, we report that the transcription factor Snail1 inhibits expression of the tumor suppressor CYLD in melanoma. As a direct consequence of CYLD repression, the protooncogene BCL-3 translocates into the nucleus and activates Cyclin D1 and N-cadherin promoters, resulting in proliferation and invasion of melanoma cells. Rescue of CYLD
Popular Abstract in Swedish Plasma består av fria elektroner, joner och neutrala partiklar och utgör det fjärde tillståndet av materia där de andra tre är fast-, flytande- och gasfas. Plasma är den vanligast förekommande tillståndet av materia i universum och uppskattas utgöra mer än 99% av universums totala massa. Naturligt förekommande plasma återfinner vi i blixtar, sol vinden, jonosfären och iNon-thermal plasma is regarded as a collection of free electrons, ions and neutral particles that are not at local thermodynamic equilibrium. The high-energetic electrons formed in non-thermal plasmas are capable of generating chemically active species and modifying chemical kinetics in practical applications. One promising application of non-thermal plasmas is to achieve plasma-assisted combustio
Community mobility, defined as "moving [ones] self in the community and using public or private transportation", has a unique ability to promote older peoples' wellbeing by enabling independence and access to activity arenas for interaction with others. Early predictors of decreased community mobility among older men and women are useful in developing health promoting strategies. However, long-ter
The stem of Agave tequilana is used to obtain: agave syrup (AS) and native agave fructans (NAF). Ground-agave-fiber is the by-product from fructans production. These ingredients were used to design a food ingredient: agave dietary fiber (ADF), containing NAF (30 g/100 g) as soluble dietary fiber (DF) and ground-agave-fiber (70 g/100 g) as an insoluble DF. The objective of this work was to evaluate
RATIONALE AND OBJECTIVES: To compare differences in diffusion tensor imaging (DTI) and dynamic susceptibility-weighted contrast-enhanced (DSC) magnetic resonance (MR) perfusion imaging characteristics of recurrent neoplasm and radiation necrosis in patients with brain tumors previously treated with radiotherapy with or without surgery and chemotherapy. MATERIALS AND METHODS: Patients with a hist
We report a combination of physical property and neutron scattering measurements for polycrystalline samples of the one-dimensional spin-chain compound CoV2O6. Heat capacity measurements show that an effective S = 1/2 state is found at low temperatures and that magnetic fluctuations persist up to similar to 6T(N). Above T-N = 6.3 K, measurements of the magnetic susceptibility as a function of T an
Long-term records of environmental history at decadal to millennial time-scales enable an assessment of ecosystem variability and responses to past anthropogenic disturbances and are fundamental for the development of environmental management strategies. This study examines the local variability of land-use history in the South Swedish Uplands over the last 200 years based on pollen records from t
Vertebrate leukotriene A(4) hydrolases are bifunctional zinc metalloenzymes with an epoxide hydrolase and an aminopeptidase activity. In contrast, highly homologous enzymes from lower organisms only have the aminopeptidase activity. From sequence comparisons, it is not clear why this difference occurs. In order to obtain more information on the evolutionary relationship between these enzymes and t
