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We here suggest and test a new method to obtain stable energies in proteins for charge-neutral reactions by running large quantum mechanical (QM) calculations on structures obtained by combined QM and molecular mechanics (QM/MM) geometry optimisation on several snapshots from molecular dynamics simulations. As a test case, we use a proton transfer between a metal-bound cysteine residue and a secon
Humans and most vertebrates have duplex retinae with multiple cone types for colour vision in bright light, and one single rod type for achromatic vision in dim light. Instead of comparing signals from multiple spectral types of photoreceptors, such species use one highly sensitive receptor type thus improving the signal-to-noise ratio at night. However, the nocturnal hawkmoth Deilephila elpenor,
The complexities of green consumption are often discussed. Studies bring to fore difficulties of choosing sustainable alternatives in a complex world. How are consumers to know what products to purchase in a market society with global commodity chains? Can consumers really trust corporations' environmental reporting? In arguing this, these studies are giving voice to some of the difficulties and a
ObjectiveThe progression of joint destruction in rheumatoid arthritis (RA) is determined by genetic factors. Changes in IL4 and IL4R genes have been associated with RA severity, but this finding has not been replicated. This study was undertaken to investigate the association between IL4- and IL4R-tagging single-nucleotide polymorphisms (SNPs) and the progression rate of joint damage in RA in a mu
Background: Tendon disease is characterized by extensive remodeling of the extracellular matrix. Results: Novel COMP cleavage fragments were identified in both an in vitro inflammatory model and natural disease. Conclusion: Inflammatory mediators drive distinct COMP fragmentation at different stages of tendon disease. Significance: Novel COMP neo-terminal fragments provide opportunities for develo
SHANK genes code for scaffold proteins located at the post-synaptic density of glutamatergic synapses. In neurons, SHANK2 and SHANK3 have a positive effect on the induction and maturation of dendritic spines, whereas SHANK1 induces the enlargement of spine heads. Mutations in SHANK genes have been associated with autism spectrum disorders (ASD), but their prevalence and clinical relevance remain t
Neurofibromatosis-Noonan syndrome (NFNS) is a rare condition with clinical features of both neurofibromatosis type 1 (NF1) and Noonan syndrome (NS). All three syndromes belong to the RASopathies, which are caused by dysregulation of the RAS-MAPK pathway. The major gene involved in NFNS is NF1, but co-occurring NF1 and PTPN11 mutations in NFNS have been reported. Knowledge about possible involvemen
Water-insoluble films of oppositely charged polyionsurfactant ion complex salts (CS) are readily cast on solid surfaces from ethanolic solutions. The methodology introduces new possibilities to study and utilize more or less hydrated CS. Direct SAXS measurements show that the surface films are water-responsive and change their liquid crystalline structure in response to changes in the water activi
Medulloblastoma is a highly malignant paediatric brain tumour currently treated with a combination of surgery, radiation and chemotherapy, posing a considerable burden of toxicity to the developing child. Genomics has illuminated the extensive intertumoral heterogeneity of medulloblastoma, identifying four distinct molecular subgroups. Group 3 and group 4 subgroup medulloblastomas account for most
Aim: Regression testing practices in industry have to be better understood, both for the industry itself and for the research community. Method: We conducted a qualitative industry survey by i) running a focus group meeting with 15 industry participants and ii) validating the outcome in an on line questionnaire with 32 respondents. Results: Regression testing needs and practices vary greatly betwe
We aimed to investigate the causal effect of circulating uric acid concentrations on type 2 diabetes risk. A Mendelian randomization study was performed using a genetic score with 24 uric acid associated loci. We used data of the EPIC-InterAct case-cohort study, comprising 24,265 individuals of European ancestry from eight European countries. During a mean (SD) follow-up of 10 (4) years, 10,576 ve
We present an update of a search for supersymmetry in final states containing jets, missing transverse momentum, and one isolated electron or muon, using 1.04 fb(-1) of proton-proton collision data at root s =7 TeV recorded by the ATLAS experiment at the LHC in the first half of 2011. The analysis is carried out in four distinct signal regions with either three or four jets and variations on the (
High-throughput sequencing data generation demands the development of methods for interpreting the effects of genomic variants. Numerous computational methods have been developed to assess the impact of variations because experimental methods are unable to cope with both the speed and volume of data generation. To harness the strength of currently available predictors, the Pathogenic-or-Not-Pipeli
Genetically based adaptation and phenotypic plasticity represent important means of coping with natural or human-induced increases in soil acidity. In the present study, we examined the role of phenotypic plasticity in the grass Deschampsia cespitosa by testing for general and trait-specific responses to acid and aluminium (Al) stress. We sampled tussocks (genets) from sites in southern Sweden dif
The present study seeks to investigate the extent to which the Acceptance and Action Questionnaire (AAQ-II) is successful in discriminating between experiential avoidance/psychological flexibility on the one hand and the supposed outcomes in terms of psychological well-being of having this trait on the other. This was done using exploratory factor analysis on an item pool containing the AAQ-II ite
The nonessential process of peptidoglycan synthesis during Bacillus subtilis sporulation is one model to study bacterial cell wall biogenesis. SpoVD is a class B high-molecular weight penicillin-binding protein that is specific for sporulation. Strains lacking this protein produce spores without the peptidoglycan cortex layer and are heat-sensitive. The detailed functions of the four different pro
In this work we investigate nascent soot particles by analyzing laser-induced incandescence (LII) signals obtained in low-sooting premixed flames. The analysis covers two data sets obtained in separate experimental campaigns. The first data set was obtained in a previous work (Mouton et al., 2013) in methane/oxygen/nitrogen flames (equivalence ratio range 1.95 < Phi < 2.32) at 26.7 kPa, whereas th
Perfluoroalkyl acids (PFAAs) are a large group of chemicals which are highly persistent in both nature and humans. The use of the most prominent ones, perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA), was reduced in the early 21st century, and since then levels in human matrices have decreased. However, these two compounds have been exchanged by other PFAAs, for which time trends
We examined combined effects of biochar, arbuscular mycorrhizal (AM) fungi and salinity on plant growth and physiology to test whether and how biochar influences AM fungi mediated growth and nutrition enhancements, and whether and how biochar provides amelioration in salt stressed soils. We carried out a full three-factorial greenhouse experiment with Lactuca sativa; and a second study with a wide
