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We have calculated relative binding affinities for eight tetrafluorophenyl-triazole-thiogalactoside inhibitors of galectin-3 with the alchemical free-energy perturbation approach. We obtain a mean absolute deviation from experimental estimates of only 2–3 kJ/mol and a correlation coefficient (R2) of 0.5–0.8 for seven relative affinities spanning a range of up to 11 kJ/mol. We also studied the effe

Background: Prostate-specific antigen (PSA) screening reduces prostate cancer deaths but leads to harm from overdiagnosis and overtreatment. Objective: To determine the long-term risk of prostate cancer mortality using kallikrein blood markers measured at baseline in a large population of healthy men to identify men with low risk for prostate cancer death. Design, setting, participants: Study base

Background: It is unclear to which degree Levodopa (L-dopa) remains effective also in the late stage of Parkinson's disease (PD) and to which degree motor fluctuations and dyskinesias remain a problem. Objective: To assess responsiveness of motor symptomatology to L-dopa in a group of patients with late stage PD. Moreover, to investigate the extent to which motor fluctuations and dyskinesias occur

Mankind has faced a huge increase in severe natural and man-made disasters worldwide in the last few years. Emergency responders on a strategic, tactical, and operational level can be assisted by decision support systems (DSS) to enhance disaster preparedness, response, and recovery. Policy makers are in need of an advanced, resilient and integrated incident command and control systems for emergen

Nursing in hypertension care comprises counselling about lifestyle changes, blood pressure measurement, and being a translator for the physician. For the patient, changing lifestyle means performing self-care. As not much in the form of research and guidelines for nurses is available, a middle-range theory of nursing in hypertension care was developed to guide nurses in their practice, in order to

We show that a quantum Szilard engine containing many bosons with attractive interactions enhances the conversion between information and work. Using an ab initio approach to the full quantum-mechanical many-body problem, we find that the average work output increases significantly for a larger number of bosons. The highest overshoot occurs at a finite temperature, demonstrating how thermal and qu

Cross Laminated Timber (CLT) at in-plane beam loading conditions present a very complex stress state and many failure modes need to be considered in design. The work presented here aims at finding improvements of a specific analytical model for stress analysis and strength verification that has been suggested in literature and which is also suggested as a basis for design equations for the next ve

TRIM28 is an epigenetic co-repressor protein that mediates transcriptional silencing. TRIM28 participates, together with the large family of Kruppel-associated box domain zinc finger proteins (KRAB-ZFP) transcription factors, in the repression of transposable elements (TE). Recent advances indicate that TRIM28-based repression of TEs occurs in the mammalian brain and may provide beneficial effects

Bile acids (BA) are formed from cholesterol in the liver and, apart from being part of fat digestion, they also act as signalling molecules in several health-related physiological processes. BA composition is regulated by gut microbiota as well as dietary fibre (DF) and fat in the diet. This thesis describes how different types of DF and fat levels, can alter BA composition in the caecum/faeces an

Aim: To evaluate aerobic exercise in migraine and co-existing tension-type headache and neck pain. Methods: Consecutively recruited persons with migraine and co-existing tension-type headache and neck pain were randomized into an exercise group or control group. Aerobic exercise consisted of bike/cross-trainer/brisk walking for 45 minutes, three times/week. Controls continued usual daily activitie

The aim of this work is the development of a thermodynamically consistent fully coupled thermo-viscoplastic material model for metals.The model is based on a split of the free energy into a thermo-elastic, a thermo-plastic and a purely thermal part and covers nonlinear cold-work hardening and thermal softening.Nonlinear temperature dependent effects are accounted for the elastic moduli, the plasti

The aim of this work is the development of a thermodynamically consistent fully coupled thermoviscoplastic material model for metals, especially for case hardening steels.The model is based on a split of the free energy into a thermo-elastic, a purely plastic and a purely thermal part and covers nonlinear cold-work hardening and thermal softening.Effects arising from phase transformations at auste

OBJECTIVES: Hazardous drinking could negatively affect health and lead to alcohol use disorders, but it is unclear how hazardous drinking affects treatment outcomes of depression and anxiety and stress-related mental health problems. The aim of this study was to examine whether hazardous drinking, measured by Alcohol Use Disorders Identification Test-Consumption (AUDIT-C), influences the outcomes

Non-small cell lung cancer is the most common type of lung cancer. Both environmental and genetic risk factors contribute to lung carcinogenesis. We conducted a genome-wide interaction analysis between single nucleotide polymorphisms (SNPs) and smoking status (never- versus ever-smokers) in a European-descent population. We adopted a two-step analysis strategy in the discovery stage: we first cond

Background: We have previously performed a Genome Wide Association and linkage study that indicated a new disease triggering mechanism involving amino acid metabolism and nutrient sensing signaling pathways. Objective: The aim of this study was to investigate if plasma amino acid levels differed among children with celiac disease compared with disease controls. Materials and methods: Fasting plasm