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Will molecular dynamics simulations of proteins ever reach equilibrium?

We show that conformational entropies calculated for five proteins and protein-ligand complexes with dihedral-distribution histogramming, the von Mises approach, or quasi-harmonic analysis do not converge to any useful precision even if molecular dynamics (MD) simulations of 380-500 ns length are employed (the uncertainty is 12-89 kJ mol(-1)). To explain this, we suggest a simple protein model inv

Phosphorus in soil treatment systems : accumulation and mobility

Septic tanks with subsequent soil treatment systems (STS) are a common treatment technique for domestic wastewater in rural areas. Phosphorus (P) leakage from such systems may pose a risk to water quality (especially if they are located relatively close to surface waters). In this study, six STS in Sweden (11-28 years old) were examined. Samples taken from the unsaturated subsoil beneath the distr

Charge transport in InAs nanowire Josephson junctions

We present an extensive experimental and theoretical study of the proximity effect in InAs nanowires connected to superconducting electrodes. We fabricate and investigate devices with suspended gate-controlled nanowires and nonsuspended nanowires, with a broad range of lengths and normal-state resistances. We analyze the main features of the current-voltage characteristics: the Josephson current,

Bacterial pH-optima for growth track soil pH, but are higher than expected at low pH

One of the most influential factors determining the growth and composition of soil bacterial communities is pH. However, soil pH is often correlated with many other factors, including nutrient availability and plant community, and causality among factors is not easily determined. If soil pH is directly influencing the bacterial community, this must lead to a bacterial community growth optimised fo

Interlamellar forces and the thermodynamic characterization of lamellar phospholipid systems

In this review, we summarize a series of experimental studies of the swelling of zwitterionic lamellar phospholipid and phospholipid-cholesterol systems using a novel double twin calorimeter. With this method, one can obtain simultaneous measures of the partial molar free energy and the partial molar enthalpy, and the experimental studies thus provide a complete thermodynamic characterization of t

A lysimeter study on the effect of temperature on CO2 emission from cultivated peat soils

A lysimeter method was evaluated for its suitability in gas emission studies by studying the effect of temperature on CO2 emissions (dark respiration) from cultivated peat soils. The study was carried out with organic soils from two locations in Sweden, a typical cultivated fen peat with low pH and high organic matter content (Orke) and a more uncommon fen peat with high pH and low organic matter

A generic surface modification strategy for sensing applications based on Au/SiO2 nanostructures

A generic protocol for the creation of material-mediated self-assembled patterns of streptavidin, defined solely by patterns of gold and SiO2, is presented. Protein-adsorption resistance of selected regions was obtained by material-specific adsorption of thiol-modified poly(ethylene)glycol (thiol-PEG) on gold followed by adsorption of poly-L-lysine (PLL) modified PEG (PLL-g-PEG) on SiO2. Selective

Wetland creation in agricultural landscapes: Biodiversity benefits on local and regional scales

Wetland creation aiming at a simultaneous increase in nutrient retention and species diversity in agricultural landscapes has recently become applied as a catchment-scale compensation measure for past wetland losses. Here, we evaluate if, and to what extend, dual-purpose wetlands benefit local and regional diversity of agricultural landscapes. We analysed composition and alpha, beta, and gamma div

Impact of early disease factors on metabolic syndrome in systemic lupus erythematosus: data from an international inception cohort

Background The metabolic syndrome (MetS) may contribute to the increased cardiovascular risk in systemic lupus erythematosus (SLE). We examined the association between MetS and disease activity, disease phenotype and corticosteroid exposure over time in patients with SLE. Methods Recently diagnosed (< 15 months) patients with SLE from 30 centres across 11 countries were enrolled into the Systemic

Rain-season trends in precipitation and their effect in different climate regions of China during 1961-2008

Using high-quality precipitation data from 524 stations, the trends of a set of precipitation variables during the main rain season (May-September) from 1961 to 2008 for different climate regions in China were analysed. However, different characteristics were displayed in different regions of China. In most temperate monsoon regions (north-eastern China), total rain-season precipitation and precip

Decarbonising industry in Sweden

This report analyses the technical opportunities for a complete decarbonisation of the basic material industry in Sweden by 2050. From this assessment, the report discusses policy implications for the industry sector given the overall framework set by the ongoing international climate negotiations. Relying on current production systems and applying “end-of-pipe” solutions will be insufficient to

Recruitment advantage of large seeds is greater in shaded habitats

Large seeds are assumed to have higher probability of successful recruitment than small seeds. This is because larger seeds give rise to larger seedlings and larger seedlings better withstand environmental hazards like deep shade and drought. Biotic and abiotic limitations to seedling growth and survival, and conversely availability of safe sites for recruitment, vary along environmental gradients

Small and large PROS1 deletions but no other types of rearrangements detected in patents with protein S deficiency

Protein S deficiency is a dominantly inherited disorder that results from mutations in the PROS] gene. Previous sequencing of the gene failed to detect mutations in eight out of 18 investigated Swedish families, whereas segregation analyses detected large deletions in three out of the eight families. The present study investigates more thoroughly for the presence of deletions but also for other ty

Widows: agents of change in a climate of water uncertainty

The African continent has been severely affected by the HIV and AIDS pandemic and as a consequence, development is being obstructed. Agriculture and food production systems are changing as a result of the burden of the pandemic. Many farming families are experiencing trauma from morbidity and mortality as well as facing labour losses and exhaustion. To further exacerbate the situation, climate var

Performance of Anisantha (Bromus) tectorum and Rumex acetosella in sandy calcareous soil

Many plants are adapted to an eroded landscape with a large proportion of virgin soil. Open and disturbed soils are today almost only restricted to agricultural fields with high loads of fertilizers. We conducted a pot experiment in order to investigate growth and nutritional constraints of one calcicole species, Anisantha (syn. Bromus) tectorum, and one calcifuge species, Rumex acetosella, in dec

Theoretical Studies of the Active-Site Structure, Spectroscopic and Thermodynamic Properties, and Reaction Mechanism of Multicopper Oxidases

In this article, we review recent theoretical work that has complemented the extensive experimental data available for multicopper oxidases (MCO) and led to the elucidation of the reaction mechanism of this class of enzymes. The MCOs couple four one-electron oxidations of substrates at the mononuclear type 1 copper (Cu-T1) site with the four-electron reduction of dioxygen at the trinuclear copper

Multifocal intraductal tubulopapillary neoplasm of the pancreas with total pancreatectomy: report of a case and review of literature.

Intraductal neoplasms of the pancreas are classified as intraductal tubulopapillary neoplasms (ITPNs) and intraductal papillary mucinous neoplasm (IPMNs) in the current WHO classification. ITPN is a rare tumor and there are only a few cases of ITPN reported in the literature. We present the case of an otherwise healthy 42-year-old male, who presented with upper abdominal pain. He was subsequently

The telomere binding proteins in yeast and their role in telomere maintenance

Popular Abstract in Swedish I de flesta organ i människokroppen pågår en ständig förnyelse av celler för att kompensera för gamla cellers bortfall som en följd av skador och naturlig död. En ensam cell kan på egen hand kopiera allt sitt DNA och därmed all information den bär på, för att därefter dela sig och skapa en exakt identisk kopia av sig själv. Kodat i DNA finns instruktionerna för hur en oTelomeres are the end-structures of linear chromosome which are crucial for maintaining genome integrity. The telomeres prevent the DNA-repair machinery from recognizing the chromosome ends as double-strand breaks and from end-to-end fusions. The telomeres are composed by short repetitive units of TG-rich DNA and associated specialized telomere-binding proteins. Due to that replication only can

Challenges for drought mitigation in Africa: The potential use of geospatial data and drought information systems

Understanding, monitoring and mitigating drought is a very difficult task as a consequence of the intrinsic nature of the phenomenon. In addition, assessing the impact of drought on ecosystems and societies is also a complex task, because the same drought severity may have different consequences in different regions and systems due to the underlying vulnerabilities. New technologies based on geosp

A cytochrome c- fusion protein domain for convenient detection, quantification and enhanced production of membrane proteins in Escherichia coli - expression and characterization of cytochrome-tagged complex I subunits

Overproduction of membrane proteins can be a cumbersome task, particularly if high yields are desirable. NADH:quinone oxidoreductase (complex I) contains several very large membrane-spanning protein subunits that hitherto have been impossible to express individually in any appreciable amounts in Escherichia coli. The polypeptides contain no prosthetic groups and are poorly antigenic, making optimi