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A common approach for the computational modeling of enzyme reactions is to study a rather small model of the active site (20-200 atoms) with quantum mechanical (QM) methods, modeling the rest of the surroundings by a featureless continuum with a dielectric constant of approximately 4. In this paper, we discuss how the residues included in the QM model should be selected and how many residues need
Ethnographically inspired methods have in recent years been successfully applied in Information Science (IS) research on different forms of social media related practices (c.f. Sundin & Francke 2009a; 2009b, Kjellberg 2010). This paper aims to contribute to an emerging discussion on the use of this methodological approach for analysing and comprehending consequences of the 2.0-turn in public l
This dissertation deals with the question of Christian contextualization in a Chinese context, with special emphases on liturgical inculturation and the problem of colonization. The subject is studied through an analysis of the liturgical inculturation efforts of Karl Ludvig Reichelt, a Norwegian missionary who founded a separate mission work among Chinese Buddhist monks. The study is based on lit
This work deals with a detailed analysis of the vibrational spectra of methoxy (CH3O-) and ethoxy (CH3CH2O-) on W(110) and Cu(100) single crystal surfaces. By using theoretical ab initio quantum mechanical modeling, it is demonstrated that an unprecedented quantitative understanding of the vibrational frequencies of a surface adsorbate can be obtained. A qua
Popular Abstract in Swedish Hjärtats skrifter är en undersökning av brevet som kommunikationsform under 1700-talet. Brevkulturen i 1700-talets Tyskland betraktas som ett av startskotten för vad som brukar kallas den moderna tiden. I denna studie granskas brevkulturens funktion och betydelse för det epistemiska skifte som äger rum under senare hälften av 1700-talet. Undersökningens utgångspunkt ärThis dissertation examines the correspondence of the 18th-century German authors Anna Louisa Karsch and Johann Wilhelm Ludwig Gleim. The main emphasis of the present study is to demonstrate how readings of Karsch's and Gleim's correspondence shed light on epistolary culture. Particular attention is paid to the notion of epistolary culture as a relatively unrestrained ?experimental setting? for bou
Popular Abstract in Swedish ETT PARADIS FÖR ALLA. EPA MELLAN FOLKHEM OCH FÖRFÖRELSE I början av 1930-talet etablerades en ny form av konsumtion i Sverige när Enhetsprisaktibolaget Epa öppnade dörrarna för en hänförd och överväldigad allmänhet. Hörnstenar i Epa-systemet var fasta priser, massproducerade produkter, stora lagerutrymmen och låga leveranskostnader. Varorna var avsedda för en ny bred kA Paradise for All. Epa between the People's Home and Seduction. This dissertation is about the Epa department store chain, which existed in Sweden from 1930 to 1977. For many people, Epa was an arena for meeting modernity. By allowing issues of tradition and modernity, cultural learning processes, class, gender and aesthetics to collide with the Epa phenomenon, a complex picture of the Swedish P
Popular Abstract in Swedish Arbetare i gummiindustrin utsätts för ett stort antal kemikalier med hög giftighet. Tidigare forskning har visat att kemikalierna innebär en fara för hälsan. Gummiarbetarna har tidigare haft en ökad risk att drabbas av olika sjukdomar, t.ex. cancer, hjärtkärlsjukdomar och luftvägsbesvär, jämfört med allmänbefolkningen. Däremot vet man inte exakt vilka ämnen som är farliWorkers in the rubber industry have an increased risk of several diseases, such as airway disease, cancer and probably cardiovascular disease. The exposure is very complex; carbon disulfide (CS2) and polycyclic aromatic hydrocarbons (PAHs) being two of the contaminants. The general aim of this thesis was to find exposure-response relationships usable for risk assessments in the rubber industry. U
Catchment-scale material transport models are today important tools for water and environmental management. However, modelling of material transport is extremely complex due to the physical, chemical and biological processes involved. The complexity calls for spatial distribution and thereby a need for large amounts of input data that generally are not available. Lumped models based on conceptual
This work introduces a new approach to achieve a unimodal dome-shaped island population for the self-assembled Ge/Si (0 0 1) dots grown by ultra-high vacuum chemical vapour deposition at T = 620 degreesC. A step-wise growth mode is applied, consisting of two Ge deposition steps with a short growth interruption in between. In the first step, a "base structure" with pyramids and domes is grown while
The study aimed to find out the influence of sweating on footwear insulation with a thermal foot model. Simultaneously, the influence of applied weight (35 kg), sock and steel toe cap were studied. Water to 3 sweat glands was supplied with a pump at the rate of 10 g/h in total. Four models of boots with steel toe caps were tested. The same models were manufactured also without steel toe. Sweating
Popular Abstract in Swedish Elektrolyter är ämnen som sönderdelas i ett lösningsmedel och därvid ger upphov till positivt och negativt laddade joner. De starka elektrostatiska krafter i lösningen som detta i sin tur orsakar är typiska för elektrolytlösningar. Redan vid små tillsatser av en elektrolyt till ett lösningsmedel kan lösningens egenskaper förändras kraftigt. Lösningar av elektrolyter speA thermodynamic model for electrolyte solutions has been derived for binary and multicomponent solutions up to very high molalities. The model was extensively tested on 163 binary aqueous electrolyte systems up to very high molalities, and the results show that the model represents mean ionic activity coefficients and osmotic coefficients very accurately. The model parameters vary significantly be
We have investigated the electronic structure of excitons in InP quantum dots in GaInP. The exciton is theoretically expected to have four states. Two of the states are allowed to optically decay to the ground ( vacuum) state in the dipole approximation. We see these two lines in photoluminescence (PL) experiments and find that the splitting between the lines ( the fine structure splitting) is 150
PURPOSEThe LIVESTRONG Young Adult Alliance has conducted a meta-analysis of individual patient data from prospective neoadjuvant chemotherapy osteosarcoma studies and registries to examine the relationships of sex, age, and toxicity on survival. PATIENTS AND METHODSSuitable data sets were identified by a survey of published data reported in PubMed. The final pooled data set comprised 4,838 patient
OBJECTIVES: The aim of this study was to evaluate the applicability of total plasma protein adducts (TPPA) of 2 sensitizing low-molecular-weight allergens, hexahydrophthalic anhydride (HHPA) and methylhexahydrophthalic anhydride (MHHPA), as biomarkers of long-term exposure. METHODS: Urine samples from occupationally exposed workers were analyzed for the levels of urinary metabolites of HHPA and MH
We examined the effect of a range of pentobarbital concentrations on 0.5 microM gamma-aminobutyric acid (GABA)-activated channels (10 +/- 1 pS) in inside-out or outside-out patches from rat cultured hippocampal neurons. The conductance increased from 12 +/- 4 to 62 +/- 9 pS as the pentobarbital concentration was raised from 10 to 500 microM and the data could be fitted by a Hill-type equation. At
