The most general way to improve the accuracy of binding-affinity calculations for protein-ligand systems is to use quantum-mechanical (QM) methods together with rigorous alchemical-perturbation (AP) methods. We explore this approach by calculating the relative binding free energy of two synthetic disaccharides binding to galectin-3 at a reasonably high QM level (dispersion-corrected density functi

Purpose: High-grade osteosarcoma is a malignant primary bone tumor with a peak incidence in adolescence. Overall survival (OS) of patients with resectable metastatic disease is approximately 20%. The exact mechanisms of development of metastases in osteosarcoma remain unclear. Most studies focus on tumor cells, but it is increasingly evident that stroma plays an important role in tumorigenesis and

We demonstrate two-stage laser stabilization based on a combination of Fabry-Perot and spectral-hole burning techniques. The laser is first pre-stabilized by the Fabry-Perot cavity to a fractional-frequency stability of sigma(y)(tau) < 1 x 10(-13). A pattern of multiple spectral holes written in the absorption spectrum of Eu3+:Y2SiO5 serves to further stabilize the laser to sigma(y)(tau)

Background: Outcomes for many cancer forms are associated with socioeconomic status (SES). We investigated if SES was associated with management and mortality in men with high risk prostate cancer. Material and methods: A nation-wide population-based cohort in Prostate Cancer Data Base Sweden (PCBaSe), a merged database including data on incident prostate cancer identified in the National Prostate

Frontotemporal dementia (FTD) is a heterogeneous group of hereditary and sporadic neurodegenerative disorders affecting frontotemporal areas. FTD, a leading cause of young-onset dementia, is often initially mistaken for primary psychiatric disorders. Based on early and predominant symptoms, different clinical syndromes can be distinguished: the behavioral variant and 2 variants of progressive apha

There are few data on the joint influence of metabolic factors on risk of separate cancers.

Results from case-control and prospective studies suggest a moderate positive association between obesity and height and differentiated thyroid carcinoma (TC). Little is known on the relationship between other measures of adiposity and differentiated TC risk. Here, we present the results of a study on body size and risk of differentiated TC based on a large European prospective study (EPIC). Durin

The introduction of new medical treatments based on invasive technologies has often been surrounded by both hopes and fears. Hope, since a new intervention can create new opportunities either in terms of providing a cure for the disease or impairment at hand; or as alleviation of symptoms. Fear, since an invasive treatment involving implanting a medical device can result in unknown complications s

PURPOSE: To analyze the effect of germline mutations in BRCA1 and BRCA2 on mortality in patients with ovarian cancer up to 10 years after diagnosis.EXPERIMENTAL DESIGN: We used unpublished survival time data for 2,242 patients from two case-control studies and extended survival time data for 4,314 patients from previously reported studies. All participants had been screened for deleterious germlin

The serotonin (5-hydroxytryptamine [5HT]) system has recently emerged as an important player in the appearance of l-3,4-dihydroxyphenylalanine (levodopa [l-dopa])-induced dyskinesia in animal models of Parkinson's disease. In fact, dopamine released as a false transmitter from serotonin neurons appears to contribute to the pulsatile stimulation of dopamine receptors, leading to the appearance of t

Liming is a forest practice used to counteract forest decline induced by soil acidification. It consists of direct Ca and Mg input in forest soil and restores tree mineral nutrition, but also causes drastic changes in nutrient availability in soil. Ectomycorrhizal (ECM) fungi significantly contribute in nutrient uptake by trees, and can recover them through organic acid secretion or through enzyma

Ozonation to achieve removal of pharmaceuticals from wastewater effluents, with pH values in the upper and lower regions of the typical range for Swedish wastewater, was investigated. The main aim was to study the effects of varying pH values (6.0 and 8.0), and if small additions of H2O2 prior to ozone treatment could improve the removal and lower the reaction time. The effluents studied differed

Background: Bombesin (BOM) and gastrin releasing peptide (GRP) have been located to the lower urinary tract (LUT). However, there is a paucity of data demonstrating the impact of these endogenous peptides. Objectives: The aim of the present study was to investigate the contractile actions of BOM and GRP on the female rat urethra in vitro and in vivo. Female Sprague-Dawley rats (n = 37) weighing ap

Dichloromethane extract of the stem bark of Rheedia acuminata yielded three benzophenones with antioxidant activity, the new one named acuminophenone A (1), guttiferone K (2) and isoxanthochymol (3), along with the known xanthones formoxanthone C (4) and macluraxanthone (5). The structures were established through interpretation of their spectroscopic data, the stereochemistry of compounds (1) and

Past decades have witnessed a shift in international cooperation toward growing involvement of transnational actors (TNAs), such as nongovernmental organizations, multinational corporations, and philanthropic foundations. This article offers a comprehensive theoretical and empirical account of TNA access to IOs. The analysis builds on a novel data set, covering formal TNA access to 298 organizatio

BACKGROUND AND AIMS: Vanin-1 (gene name VNN1) is an enzyme with pantetheinase activity generating the amino-thiol cysteamine which is implicated in the regulation of red-ox status through its effect on glutathione. We tested the hypothesis that the rs2294757 VNN1 T26I polymorphism could affect blood pressure (BP) levels, hypertension prevalence, and risk of incident cardiovascular events. METHODS

Despite the holistic intention of physiotherapy, sexual health receives insufficient attention by physiotherapists. Sexual health is an important part of general health and well-being, which is often negatively affected by physical and psychological disorders. There are several reasons why sexual health should be addressed by physiotherapists, and this article aims to describe the role of the phys

We present an experimental and theoretical study of the F-2(5/2) -> F-2(7/2) M1 transition in Ag-like W (W27+). The experiments employed the Shanghai permanent magnet electron beam ion trap, which has been developed especially for assisting spectroscopic diagnostics of edge plasmas for magnetic fusion devices. The theoretical value was obtained using the GRASP2K set of computer codes and included

A palynological study of the upper Silurian Oved-Ramsasa Group in Skane, Sweden yields a well preserved spore assemblage with low relative abundances of marine microfossils. In total, 26 spore taxa represented by 15 genera were identified. The spore assemblage is dominated by long-ranging cryptospore taxa, and the trilete spore Ambitisporites avitus-dilutus. However, key-species identified include

Consumption of fruits and vegetables is associated with a lower overall mortality. The aim of this study was to identify causes of death through which this association is established. More than 450,000 participants from the European Prospective Investigation into Cancer and Nutrition study were included, of which 25,682 were reported deceased after 13 years of follow-up. Information on lifestyle,