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Assessing the stability of free-energy perturbation calculations by performing variations in the method

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

Quantum Szilard Engine with Attractively Interacting Bosons

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 at in-plane beam loading - Prediction of shear stresses in crossing areas

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

The effects of aerobic exercise for persons with migraine and co-existing tension-type headache and neck pain. A randomized, controlled, clinical trial

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 influence of hazardous drinking on psychological functioning, stress and sleep during and after treatment in patients with mental health problems : a secondary analysis of a randomised controlled intervention study

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

Effects of Pay-For-Performance on Prescription of Hypertension Drugs among Public and Private Primary Care Providers in Sweden

This study exploits policy reforms in Swedish primary care to examine the effect of pay-for-performance (P4P) on compliance with hypertension drug guidelines among public and private health care providers. Providers in regions with P4P are compared to providers in other regions in a difference-in-differences analysis using data from the Swedish Prescription Register for the period 2005-2013. The r

Diversity of cnidarians and cycloneuralians in the Fortunian (early Cambrian) Kuanchuanpu Formation at Zhangjiagou, South China

The latest discovery of microfossils from the lower Cambrian (Fortunian Stage) Zhangjiagou Lagerstätte in South China are presented. This lagerstätte is rich in exceptionally preserved microfossils, including embryos of Olivooides multisulcatus, Olivooides mirabilis, and Pseudooides prima; hatched stages of O. multisulcatus, O. mirabilis, Hexaconularia sichuanensis, and Quadrapyrgites quadratacris

Measurement of differential cross-sections of a single top quark produced in association with a W boson at √s=13TeV with ATLAS

The differential cross-section for the production of a W boson in association with a top quark is measured for several particle-level observables. The measurements are performed using 36.1fb-1 of pp collision data collected with the ATLAS detector at the LHC in 2015 and 2016. Differential cross-sections are measured in a fiducial phase space defined by the presence of two charged leptons and exact

Absence of paired crossing in the positive parity bands of Cs 124

High-spin states in Cs124 were populated in the Ni64(Ni64,p3n) reaction and the Gammasphere detector array was used to measure γ-ray coincidences. Both positive- and negative-parity bands, including bands with chiral configurations, have been extended to higher spin, where a shape change has been observed. The configurations of the bands before and after the alignment are discussed within the fram

Perceptions of the EU’s Role in the Ukraine-Russian and the Israeli-Palestinian conflicts: A biased mediator?

This article focuses on how the European Union's (EU) mediation activities during the Russia-Ukraine and Israel-Palestine conflicts are perceived by local elites. Our analysis is based on recent interviews with decision makers in Ukraine, Israel and Palestine. Consistent with this special issue, we investigate perceptions of EU roles, strategies and effectiveness. We suggest that the EU's relation

A Simple System Dynamics Model for the Global Production Rate of Sand, Gravel, Crushed Rock and Stone, Market Prices and Long-Term Supply Embedded into the WORLD6 Model

A model for global supply of sand, gravel and cut stone for construction based on a system dynamics model was developed for inclusion in the WORLD6 model. The Sand-Gravel-Stone model simulates production and market supply, demand and price for natural sand and gravel, sand and gravel from crushed rock and cut stone. The model uses market mechanisms where the demand is depending on population size,

Greenhouse gas emissions of methanol from co-gasification of black liquor with by-product biomass

En hållbar omställning av transportsystemet kan komma att kräva olika typer av bränslen, tekniker och infrastrukturförändringar, och som ett möjligt alternativ finns biodrivmedel. En potentiell resurs för biodrivmedelsproduktion i Sverige är svartlut, en ligninrik biprodukt från pappers- och massaindustrin, som kan förgasas och omvandlas till metanol. Mängden svartlut som finns tillgänglig begräns

HIV-1 transmission networks in high risk fishing communities on the shores of Lake Victoria in Uganda : A phylogenetic and epidemiological approach

Background: Fishing communities around Lake Victoria in sub-Saharan Africa have been characterised as a population at high risk of HIV-infection. Methods: Using data from a cohort of HIV-positive individuals aged 13–49 years, enrolled from 5 fishing communities on Lake Victoria between 2009–2011, we sought to identify factors contributing to the epidemic and to understand the underlying structure

Exploring interdepencies and common goals in disaster recovery coordination

The present paper seeks to investigate the extent and nature of organizational interdependencies in recovery operations. It focuses on the recovery following the Boxing day tsunami in 2004 in Tamil Nadu, India. It uses the theoretical framework from infrastructure interdependencies to a disaster recovery setting. It takes a case study approach and is based on eighteen interviews conducted in Tamil