In the current work, in order to model a free electron solvated in water, we have implemented a method to represent the molecular charge distribution as a set of Slater-type functions within the framework of a QM/MM method called QMSTAT. Also, it has been introduced in this method a new approach to calculate the intermolecular induction energy in the presence of very strong electric fields. Unlike

Background: Pediatric anxiety disorders are highly prevalent and associated with significant functional disabilities and lifelong morbidity. Cognitive-behavioral therapy (CBT), sertraline, and their combination are effective treatments, but little is known about how these treatments exert their effects.Methods: Using network intervention analysis (NIA), we analyzed data from the largest randomized

How should a pedagogical agent in educational software be designed to support student learning? This question is complex seeing as there are many types of pedagogical agents and design features, and the effect on different student groups can vary. In this paper we explore the effects of designing a pedagogical agent’s self-efficacy in order to see what effects this has on students´ interaction wit

In this thesis, I critically explore the ways in which people consume extraordinary experiences and what this can tell us about contemporary society. My findings question the idea that extraordinary experiences are an escape from the demands of everyday life. I show instead that social (especially neoliberal) discourses discipline endurance runners and shape the ways in which they understand and a

This laboratory study evaluates head shaft angle (HSA) reliability using ranges of simulated femoral orientation often seen in children with cerebral palsy. A dry femur was mounted in a jig that enabled the bone to be positioned in a range of internal and external rotation (-40° to + 40°) and flexion (0°-60°), alone or in combination. A metal wire was placed as a surrogate physis to give two HSA a

BACKGROUND: Patients with new-onset atrial fibrillation in relation to infection are frequent in emergency departments (ED) and may require antithrombotic therapy due to increased risk of stroke. Our objective was to describe the one-year risk of stroke in ED patients with infection, new-onset atrial fibrillation and no antithrombotic therapy.METHODS: Population-based cohort study at four EDs in D

The continuous search for mineral resources such as gold, copper and base metals etc. requires a refined understanding of the thermal evolution and exhumation history of potential exploration targets, as only ore deposits can be exploited that have been exhumed to the surface or near to the surface. In order to better understand the exhumation history of the ore deposits a multidisciplinary approa

A large portion of atmospheric aerosol particles consists of secondary material produced by oxidation reactions. The relative importance of secondary organic aerosol (SOA) can increase with improved emission regulations. A relatively simple way to study potential particle formation in the atmosphere is by using oxidation flow reactors (OFRs) which simulate atmospheric ageing. Here we report on the

The resurgence of artificial intelligence (AI) has empowered organizations to concentrate their research efforts on enhancing decision-making and automation capabilities. This is being pursued with the goal of increasing productivity, whilst reducing costs. With this, it is perceived that the jobs within these organizations that are considered subject to ‘routine’, or repetitive and mundane tasks,

The aim of our project was to explore the effectiveness of a web-based mindfulness program for families living with mental and/or somatic illness by the means of a randomized controlled study including an experiment group (n=196) and a wait-list control (WLC) group (n=202) (Stjernswärd & Hansson, 2018). The test period for the 8-week program was set to 10 weeks, with pre– and post-test assessm

The advancement of wearable/ambulatory technologies has brought a huge change to data collection frameworks in recent decades. Mobile health (mHealth) care platforms, which utilize ambulatory devices to collect naturalistic and often intensively sampled data, produce innovative information of potential clinical relevance. For example, such data can inform clinical study design, recruitment approac

Objective: To study the difference in incidence and risk of fragility fractures between rheumatoid arthritis (RA) patients followed up early in the disease and the general population in Sweden; and the fracture risk changes in RA patients diagnosed in the 1990s and 2000s because of earlier, more potent pharmacological treatment in the later period. Method: Patients with early RA were recruited fro

Background: Hypofractionated radiotherapy for prostate cancer has gained increased attention due to its proposed high radiation-fraction sensitivity. Recent reports from studies comparing moderately hypofractionated and conventionally fractionated radiotherapy support the clinical use of moderate hypofractionation. To date, there are no published randomised studies on ultra-hypofractionated radiot