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Water molecules play important roles in all biochemical processes. Therefore, it is of key importance to obtain information of the structure, dynamics, and thermodynamics of water molecules around proteins. Numerous computational methods have been suggested with this aim. In this study, we compare the performance of conventional and grand-canonical Monte Carlo (GCMC) molecular dynamics (MD) simula
In search for measures to reduce greenhouse gas emissions from transport, insights into the characteristics of all sorts of trips and specifically trips by car are needed. This paper focuses on everyday leisure trips for social and recreational purposes. Travel behaviour for these purposes is analysed considering individual and household factors as well as properties of the trip, based on Swedish
This work presents a case where a combination of electromagnetics (EM61), refraction seismic surveys and a geotechnical survey allowed a detailed mapping of the near surface at a soil depot.This work presents a case where a combination of electromagnetics (EM61), refraction seismic surveys and a geotechnical survey allowed a detailed mapping of the near surface at a soil depot. Such results together with knowledge of the glacial overburden and groundwater potential enabled accurate determination of digging depth within the area, and thereby optimizing extension of the soil depot. The
Increases in temperature related to global warming have important implications for organismal fitness. For ectotherms inhabiting temperate regions, ‘winter warming’ is likely to be a key source of the thermal variation experienced in future years. Studies focusing on the active season predict largely positive responses to warming in the reptiles; however, overlooking potentially deleterious conseq
This article reports on an investigation of audit independence in the context of local public audit in Sweden. The article focuses on the influence of two different sets of interests. The results show that there is a risk that the way the results of the audit process are communicated and disseminated in an organization is influenced by political, as well as market, interests. The article reveals t
Background In many scientific domains, it is becoming increasingly common to collect high-dimensional data sets, often with an exploratory aim, to generate new and relevant hypotheses. The exploratory perspective often makes statistically guided visualization methods, such as Principal Component Analysis (PCA), the methods of choice. However, the clarity of the obtained visualizations, and thereby
Through the integrated framework of participation theory and political economy, this article analyzes participatory opportunities in the virtual world Habbo Hotel, and how participation is constrained and framed by the producer’s commercial strategies, which are based on advertising and sales of virtual goods. The study also looks into the ways in which the producer Sulake Corporation discursively
Background We evaluated the accuracy and repeatability of a 3D method for polyethylene acetabular cup wear measurements using computed tomography (CT). We propose that the method be used for clinical in vivo assessment of wear in acetabular cups. Material and methods Ultra-high molecular weight polyethylene cups with a titanium mesh molded on the outside were subjected to wear using a hip simulato
The outstanding properties of graphene, a single graphite layer, render it a top candidate for substituting silicon in future electronic devices, The so far exploited synthesis approaches, however, require conditions typically achieved in specialized laboratories and result in graphene sheets whose electronic properties are often altered by interactions with substrate materials. The development of
Quantifying the water exchange between a forest stand and the atmosphere is of major interest for the prediction of future growth conditions and the planning of silvicultural treatments. In the present study, we address (i) the uncertainties of sap flow estimations at the tree level and (ii) the performance of the simulation of stand transpiration. Terrestrial laser scan images (TLS) of a mature b
Purpose – This paper aims to discuss a new tool for requirements gathering in the Web 2.0 era. It seeks to investigate the features that this kind of tool should have in order to be as widely applicable and useful as possible. Further, it aims to explore the extent to which business requirements for enterprise resource planning (ERP) systems can be collected and discussed collaboratively in a worl
OBJECTIVE-Hemoglobin A(1c) (A1C) has emerged as a recommended diagnostic tool for identifying diabetes and subjects at risk for the disease. This recommendation is based on data in adults showing the relationship between A1C with future development of diabetes and microvascular complications. However, studies in the pediatric population are lacking. RESEARCH DESIGN AND METHODS-We studied a multiet
The interactions of the ECM (extracellular matrix) protein asporin with ECM components have previously not been investigated. Here, we show that asporin binds collagen type I. This binding is inhibited by recombinant asporin fragment LRR (leucine-rich repeat) 10-12 and by full-length decorin, but not by biglycan. We demonstrate that the polyaspartate domain binds calcium and regulates hydroxyapati
In order to understand ritual in the past, archaeology has long relied on theories developed in other disciplines. While these theories, which often rely on written or oral information, have added many important dimensions to our interpretation of the archaeological record, they have often proven difficult to successfully articulate with the archaeological sources. Moreover, archaeology has tended
Regional climate models (RCMs) are used for forecasting future climate including precipitation characteristics. Performances of five different RCMs for predicting the precipitation characteristics for Gothenburg, Sweden were evaluated against the daily observed precipitation over the period 1961 to 2009. Statistical analysis was done on annual, monthly, multi-daily, and daily data. The statistical
There are currently several commercially available radiotherapy treatment units without a flattening filter in the beam line. Unflattened photon beams have an energy and lateral fluence distribution that is different from conventional beams and, thus, their attenuation properties differ. As a consequence, for flattening filter free (FFF) beams, the relationship between the beam-quality specifier T
