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Accurate reaction energies in proteins obtained by combining QM/MM and large QM calculations

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

Night-time neuronal activation of Cluster N in a day- and night-migrating songbird

Magnetic compass orientation in a night-migratory songbird requires that Cluster N, a cluster of forebrain regions, is functional. Cluster N, which receives input from the eyes via the thalamofugal pathway, shows high neuronal activity in night-migrants performing magnetic compass-guided behaviour at night, whereas no activation is observed during the day, and covering up the birds' eyes strongly

Primary screening for human papillomavirus compared with cytology screening for cervical cancer in European settings: cost effectiveness analysis based on a Dutch microsimulation model

Objectives To investigate, using a Dutch model, whether and under what variables framed for other European countries screening for human papillomavirus (HPV) is preferred over cytology screening for cervical cancer, and to calculate the preferred number of examinations over a woman's lifetime. Design Cost effectiveness analysis based on a Dutch simulation model. Base case analyses investigated the

Cytokeratin 20 improves the detection of circulating tumor cells in patients with colorectal cancer.

Cytokeratin 20 (CK20) is a well-established marker for colon epithelium. Herein, we suggest that CK20 is a biomarker for detecting circulating tumor cells (CTCs) in patients with metastatic colorectal cancer. Blood specimens (7.5 mL) were collected during surgery after liver mobilization from 25 patients with colorectal cancer. The FDA approved CellSearch™ system and two panels of antibodies again

Liposuction in Lymphedema Treatment.

Background Lymphedema leads to early deposition of adipose tissue. This may explain why conservative therapies such as complex decongestive therapy (CDT) and controlled compression therapy (CCT), as well as various forms of microsurgical reconstructions, cannot completely remove the excess volume in patients with a large chronic nonpitting lymphedema. Liposuction is therefore a logical and temptin

Gardens benefit bees and enhance pollination in intensively managed farmland

The recent loss of pollinating insects and out-crossing plants in agricultural landscapes has raised concern for the maintenance of ecosystem services. Wild bees have been shown to benefit from garden habitats in urban and suburban areas. We investigated the effects of distance from garden habitats on wild bees and seed set of a native out-crossing plant Campanula persicifolia, in intensively mana

Genetics of coronary heart disease: towards causal mechanisms, novel drug targets and more personalized prevention.

Coronary heart disease (CHD) is an archetypical multifactorial disorder that is influenced by genetic susceptibility as well as both modifiable and nonmodifiable risk factors, and their interactions. Advances during recent years in the field of multifactorial genetics, in particular genomewide association studies (GWASs) and their meta-analyses, have provided the statistical power to identify and

Continuing Mobility and Occupational Participation Outside the Home in OldAge Is an Act of Negotiation

Facilitated by mobility, occupational participation outside the home is vital in old age. However, the relative importance of factors influencing mobility and occupational participation remains unclear. The present study describes older peoples’ motives for, and experiences of, mobility and occupational participation outside the home. Nine focus-group interviews were conducted and analyzed using c

Concurrent Isolation of Lymphocytes and Granulocytes Using Prefocused Free Flow Acoustophoresis

Microchip-based free flow acoustophoresis (FFA) in combination with two-dimensional cell prefocusing enables concurrent multiple target outlet fractionation of leukocytes into subpopulations (lymphocytes, monocytes, and granulocytes); we report on this method here. We also observed significantly increased accuracy in size-based fractionation of microbeads as compared to previously presented FFA mu

Improving methane production from wheat straw by digestate liquor recirculation in continuous stirred tank processes

Wheat straw is an abundant, cheap substrate that can be used for methane production. However, the nutrient content in straw is inadequate for methane fermentation. In this study, recycling digestate liquor was implemented in single-stage continuous stirred tank processes for enrichment of the nutrient content of straw with the aim of improving the methane production. The VS-based organic loading r

Albitization and quartz dissolution in Paleoproterozoic metagranite, central Sweden - Implications for the disposal of spent nuclear fuel in a deep geological repository

Hydrothermal alteration resulting in albitization and quartz dissolution has been identified in Paleoproterozoic metagranites down to - 1000 m elevation at Forsmark, Sweden. The alteration features were discovered during investigations to locate a site for the disposal of spent nuclear fuel in a deep geological repository. In general, albitization occurs extensively, but it is also observed locall

Metabolic factors and blood cancers among 578,000 adults in the metabolic syndrome and cancer project (Me-Can)

We investigated associations between metabolic factors and blood cancer subtypes. Data on body mass index (BMI), blood pressure, blood glucose, total cholesterol, and triglycerides from seven prospective cohorts were pooled (n = 578,700; mean age = 44 years). Relative risks of blood cancers were calculated from Cox regression models. During mean follow-up of 12 years, 2,751 incident and 1,070 fata

Further Insights into the Catalytical Properties of Deglycosylated Pyranose Dehydrogenase from Agaricus meleagris Recombinantly Expressed in Pichia pastoris

The present study focuses on fragmented deglycosylated pyranose dehydrogenase (fdgPDH) from Agaricus meleagris recombinantly expressed in Pichia pastoris. Fragmented deglycosylated PDH is formed from the deglycosylated enzyme (dgPDH) when it spontaneously loses a C-terminal fragment when stored in a buffer solution at 4 degrees C. The remaining larger fragment has a molecular weight of similar to

Fine mapping of genetic susceptibility loci for melanoma reveals a mixture of single variant and multiple variant regions

At least 17 genomic regions are established as harboring melanoma susceptibility variants, in most instances with genome-wide levels of significance and replication in independent samples. Based on genome-wide single nucleotide polymorphism (SNP) data augmented by imputation to the 1,000 Genomes reference panel, we have fine mapped these regions in over 5,000 individuals with melanoma (mainly from

Novel disease-specific promoters for use in gene therapy for Parkinson's disease.

Gene therapy is a promising therapeutic tool for Parkinson's disease (PD), but there is a lack of evaluated cell specific promoters that are relevant for the disease. We have chosen PD relevant promoter candidates for gene therapy vectors based on either previous studies; Drd1a, Drd2 and pDyn, or from a microarray study on parkinsonian patients; ACE, DNAJC3, GALNS, MAP1a and RNF25. These candidate

Identification of Novel Spinal Cholinergic Genetic Subtypes Disclose Chodl and Pitx2 as Markers for Fast Motor Neurons and Partition Cells

Spinal cholinergic neurons are critical for motor function in both the autonomic and somatic nervous systems and are affected in spinal cord injury and in diseases such as amyotrophic lateral sclerosis (ALS) and spinal muscular atrophy. Using two screening approaches and in situ hybridization, we identified 159 genes expressed in typical cholinergic patterns in the spinal cord. These include two g