The effects of charge overlap, or charge penetration, are neglected in most force fields and interaction terms in QM/MM methods. The effects are however significant at intermolecular distances near the van der Waals minimum. In the present study, we propose a method to evaluate the intermolecular Coloumb interaction using Slater-type functions, thus explicitly modeling the charge overlap. The comp

The influence of standard language varieties on rural dialects is an important factor involved in dialect loss, which is widespread in Europe. In this study, we look at how the three-gender system in the Jämtlandic dialect of Sweden is changing under pressure from the two-gender system of Standard Swedish. The Jämtlandic dialect is an understudied Swedish dialect and an interesting object of study

The main objectives of the present study were to monitor minimal residual disease (MRD) in the bone marrow of patients with mantle cell lymphoma (MCL) to predict clinical relapse and guide preemptive treatment with rituximab. Among the patients enrolled in 2 prospective trials by the Nordic Lymphoma Group, 183 who had completed autologous stem cell transplantation (ASCT) and in whom an MRD marker

Background: Concerns have been raised about the quality of reporting in nutritional epidemiology. Research reporting guidelines such as the Strengthening the Reporting of Observational Studies in Epidemiology (STROBE) statement can improve quality of reporting in observational studies. Herein, we propose recommendations for reporting nutritional epidemiology and dietary assessment research by exte

We report on low-temperature transport measurements on four-terminal cross junction devices fabricated from high-quality graphene grown by chemical vapor deposition. At high magnetic fields, the bend resistance reveals pronounced peak structures at the quantum Hall plateau transition, which can be attributed to the edge state transport through the junctions. We further demonstrate that the bend re

Background: Eutrophication of aquatic environments is a major environmental problem in large parts of the world. In Europe, EU legislation (the Water Framework Directive and the Marine Strategy Framework Directive), international conventions (OSPAR, HELCOM) and national environmental objectives emphasize the need to reduce the input of nutrients to freshwater and marine environments. A widely used

Real-life environments have been used and framed as natural laboratories in which to study and develop new knowledge and understandings of human behaviour since the start of the last century (if not before). Likewise, urban researchers have been studying the phenomenon of urban experimentation for a long time (Bulkeley and Castán Broto 2013; Karvonen et al. 2014). Over the last decade, the city ha

Solid-phase extraction and HPLC methods are described for monitoring of 17-β-estradiol residues in Egyptian aquatic ecosystems (water, fish, mollusks, sediment, and drinking water) at the Nile River, Suez Canal region, and northeast of Egypt. Molecular imprinted polymer was prepared and used in extraction. High performance liquid chromatography (HPLC) columns used were Supelcosil C18 and Nucleosil

Transitions towards sustainability are urgently needed to address the interconnected challenges of economic development, ecological integrity, and social justice, from local to global scales. Around the world, collaborative science-society initiatives are forming to conduct experiments in support of sustainability transitions. Such experiments, if carefully designed, provide significant learning o

We develop a formalism to study the tetraquark production in hadronic collisions. We focus on double parton scattering and formulate a version of the color evaporation model for the production of the T4c tetraquark, a state composed by the quarks. We find that the production cross section grows rapidly with the collision energy and the T4c might be observable at LHC energies.

How do donors reason and justify their choices when faced with dilemmas in a charitable context? In two studies, Swedish students were confronted with helping dilemmas based on the identifiable victim effect, the proportion dominance effect and the ingroup effect. Each dilemma consisted of two comparable charity projects and participants were asked to choose one project over the other. They were t

The Fenna-Matthews-Olson (FMO) photosynthetic complex found in green sulfur bacteria has over the last decades been one of the favorite "model" systems for biological energy transfer. However, even after 40 years of studies, quantitative knowledge about its energy-transfer properties is limited. Here, two-dimensional electronic spectroscopy with full polarization control is used to provide an accu