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The modular software MOLSIM for all-atom molecular and coarse-grained simulations is presented with focus on the underlying concepts used. The software possesses four unique features: (1) it is an integrated software for molecular dynamic, Monte Carlo, and Brownian dynamics simulations; (2) simulated objects are constructed in a hierarchical fashion representing atoms, rigid molecules and colloids
A more detailed mechanistic understanding of how low molecular weight (MW) carbon (C) substrates are mineralized within the rhizosphere by soil microbial communities is crucial to accurately model terrestrial C fluxes. Currently, most experiments regarding soil C dynamics are conducted ex-situ (laboratory) and can fail to account for key variables (e.g. temperature and soil water content) which va
Background: Inflammation and immune activation have repeatedly been suggested as pathogentic factors in irritable bowel syndrome (IBS). The driving force for immune activation in IBS remains unknown. The aim of our study was to find out if the obligate intracellular pathogen Chlamydia could be involved in the pathogenesis of IBS. Methods: We studied 65 patients (61 females) with IBS and 42 (29 fem
A highly sensitive competitive capacitive glucose biosensor was constructed based on gold nanoparticles, which were employed as a platform to immobilize concanavalin A (Con A). Gold nanoparticles were fixed on a gold electrode, on which a layer of polytyramine was preformed via electrochemical polymerization. The sensing mechanism is based on the competitive dissociation of a glucose polymer or a
Popular Abstract in Swedish Förbränning förknippas av många som förlegat. Att utvinna energi genom att ”elda” har människan gjort under årtusenden, men trots det bestod Sveriges totala energiproduktion 2004 till 52 % av förbränning. De flesta bilar, båtar, flyg och i vissa fall även tåg utnyttjar den kemiskt lagrade energin i fossila bränslen. Uppvärmningen av bostäder är inte heller att förringa,The thesis work, aimed at the development of laser-spectroscopic detection schemes, consists of three parts, concerned with the development and application of different techniques. The development of UV filtered Rayleigh scattering (FRS) for thermometry and fuel/air ratio measurements, using a frequency tripled, single-longitudinal-mode alexandrite laser at ~254 nm together with an isotopically en
The partial unfolding of human lysozyme underlies its conversion from the soluble state into amyloid fibrils observed in a fatal hereditary form of systemic amyloidosis. To understand the molecular origins of the disease, it is critical to characterize the structural and physicochemical properties of the amyloidogenic states of the protein. Here we provide a high-resolution view of the unfolding p
The design, construction, and commissioning of the ALICE Time-Projection Chamber (TPC) is described. It is the main device for pattern recognition, tracking, and identification of charged particles in the ALICE experiment at the CERN LHC. The TPC is cylindrical in shape with a volume close to 90 m(3) and is operated in a 0.5T solenoidal magnetic field parallel to its axis. In this paper we describ
ABSTRACT In high-risk pregnancies the chronic hypoxemic fetus redistributes its circulation to maintain the blood supply to the vital organs: brain, heart and adrenals. The aims of the studies included in this thesis were: 1) to establish reference curves for fetal cerebral venous blood velocity in normal pregnancies; 2) to determine in high-risk pregnancies the frequency of abnormal Doppler in
Intensive agriculture is often bad for wildlife. Does this imply that a goal to boost wildlife on agricultural land is best met through a general reduction in intensity? We argue that such an approach may not be optimal, since cost functions for provision of wildlife on agricultural land may be non-convex, due to fixed costs associated with such provision. This implies that, even when farms are id
Background: Currently available biomarkers for the early tissue process leading to joint damage in rheumatoid arthritis are insufficient and lack prognostic accuracy, possibly a result of variable activity of the disease over time. This study represents a novel approach to detect an altered activity of the disease process detected as increasing serum-COMP levels over a short time and whether this
We describe an one-step 11-min magnetic permeability based two-site immunoassay for C-reactive protein (CRP) utilizing polyclonal anti-canine CRP antibody conjugated dextran iron oxide nanoparticles (79 nm) as superparamagnetic labels and polyclonal anti-canine CRP conjugated silica microparticles (15 to 40 mu m) as carriers. An inductance based magnetic permeability reader was used to detect the
Background: Functional and morphological changes of the heart influence blood flow patterns. Therefore, flow patterns may carry diagnostic and prognostic information. Three-dimensional, time-resolved, three-directional phase contrast cardiovascular magnetic resonance (4D PC-CMR) can image flow patterns with unique detail, and using new flow visualization methods may lead to new insights. The aim o
Macroporous hydrogels (MHs) hold great promise as scaffolds in tissue engineering and cell-based assays. In this study, the possibility of combination of three-dimensional (3D) cell culture with a miniaturized screening format was demonstrated on human colon cancer HCT116, human acute myeloid leukemia KG-1 cells, and embryonic fibroblasts cultured on MHs (12.5 mm x 7.1 mm I.D.) in a 96-minicolumn
Chronic infection perturbs immune homeostasis. While prior studies have reported dysregulation of effector and memory cells, little is known about the effects on naïve T cell populations. We performed a cross-sectional study of chronic hepatitis C (cHCV) patients using tetramer-associated magnetic enrichment to study antigen-specific inexperienced CD8(+) T cells (i.e., tumor or unrelated virus-spe
