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The combination of quantum mechanics and molecular mechanics (QM/MM) is one of the most promising approaches to study the structure, function, and properties of proteins. We here review our applications of QM/MM methods to alcohol dehydrogenase, blue copper proteins, iron–sulphur clusters, ferrochelatase, and myoglobin. We also describe our new quantum refinement method, which is a combination of
Background: Tibial osteotomy is a treatment for younger and/or physically active patients suffering from uni-compartmental knee osteoarthritis. The open wedge osteotomy by the hemicallotasis technique includes the use of external fixation. The use of external fixation has several advantages, as early mobilization and the opportunity for optimal correction. However, the hemicallotasis technique has
1976 through 1992, 30,003 primary knee arthroplasties and their revisions have been recorded in a nation-wide Swedish study. We report on the structure of the register, demographic data and survivorship. We found that operations for osteoarthrosis (OA) counted for the increase in number of arthroplasties in contrast to rheumatoid arthritis (RA), where the number had slightly declined. For primary
Uppsatsen är en studie med huvudsyfte att undersöka vilken betydelse domstolen fäster vid våld inom familjen vid bedömning av umgänge och vårdnad. Den försöker även finna svar på om och i så fall i vilken utsträckning det görs skillnad mellan fäder och mödrar som förövare. Gällande rätt och dess utveckling redovisas inom områdena vårdnad, umgänge samt riskbedömning. Dessutom presenteras relevanta The essay is a study with a main aim of investigating to what extent the court attaches importance to family violence in their assessment of right of access to children and custody. It also attempts to see to what extent male and female parents as perpetrators are treated differently. Current law and its development in the areas of custody, right of access to children and risk assessment are explo
This is a Master's thesis, and it is a report on a study on different secondary packaging for the Tetra Brik Aseptic 1500 ml Slim package (TBA 1500 S). At the beginning of this study no installed filling line for the TBA 1500 S package existed. The first line was installed in October. Therefore a similar package was studied, the TBA 1000 S package. Data were collected on this package and then
The purpose of this work is to map what inspiration means to people who work with music, how it feels when you are inspirated compared to how it feels when you`re not. How does inspiration affect us? Are we depending on it? What do you do when you lack inspiration? Is it possible to ?inspire? one self? My method has been to interview eight persons, selected by me, who all work with music. I have u
Animal migration is a fascinating phenomenon that has puzzled mankind since the time of ancient Greece. It is a process widespread across a varied range of taxa and it shines especially in birds which, because of their mobility, display an amazing diversity of routes and strategies. With the advances in tracking devices and improvements of sequencing technologies, recent work provides support for
The prospect of death influences people’s thoughts about and how they deal with their remaining time. We aimed to understand whether patients with progressive, life-limiting diseases are oriented in the past, present, or future and how they deal with temporality. We conducted 57 in-depth interviews with end-of-life patients in 10 countries using thematic analysis at three levels (i.e., locally in
Despite slow ongoing progress in increasing the representation of women in academia, women remain significantly under-represented at senior levels, in particular in the natural sciences and engineering. Not infrequently, this is downplayed by bringing forth arguments such as inherent biological differences between genders, that current policies are adequate to address the issue, or by deflecting t
Popular Abstract in Swedish POPULÄRVETENSKAPLIG SAMMANFATTNING PÅ SVENSKA Kadmium är en giftig metall vilken finns i mat som vi rekommenderas äta mycket av, exempelvis sädesprodukter, grönsaker och skaldjur. Våra matjordar är kontaminerade med kadmium och föroreningen kommer att kvarstå under mycket lång tid framöver. Kadmium skadar framförallt njurarna och skelettet och kan antagligen även orsaAbstract: Cadmium (Cd) is ubiquitous in the environment. Human exposure in non-smokers occurs mainly via intake of healthy food like vegetables, cereals, and shellfish. Adverse health effects on kidney and bone at low-level environmental Cd exposure are well-documented in adults. There is considerable inter-individual variation in both metabolism (toxicokinetics) and toxicity (toxicodynamics) of C
The Natural gas Combined Cycle (NGCC) with post combustion capture using liquid solvents may in some cases be of interest to design with a flexible steam bottoming cycle, so that it can operate both with and without CO2 capture. It is then important that the choice of the low pressure (LP) steam turbine exhaust size is made accordingly. The paper describes why a flexible NGCC requires a LP steam t
In this article I explore the different and changing meanings of the concept “privat” in records from the Swedish Riksdag (state assembly) from the sixteenth to the beginning of the eighteenth century. I analyze how the concept was used in different contexts, such as questions concerning e.g. private and public religious practices, relations between individuals and communities, and relations betweIn this article I explore the different and changing meanings of the concept “privat” in records from the Swedish Riksdag (state assembly) from the sixteenth to the beginning of the eighteenth century. I analyze how the concept was used in different contexts, such as questions concerning e.g. private and public religious practices, relations between individuals and communities, and relations betwe
We incorporate age-specific socio-economic interactions in a SIR macroeconomic model to study the role of demographic factors for the COVID-19 epidemic evolution, its macroeconomic effects and possible containment measures. We capture the endogenous response of rational individuals who choose to reduce inter- and intra-generational social interactions, consumption- and labor-related personal expos
The ancient city of Pompeii presents a wide range of mosaic-floors that drew inspiration from both the Hellenistic tradition and its Roman successor. By the time the city was buried by the eruption of Vesuvius in A.D. 79, a number of atrium-houses were decorated with mosaic-floors, although this floor type never surpassed the more popular version of the cement floors. A certain group of mosaics, f
Background: The study of thoracic injuries and biomechanics during CPR requires detailed studies that are very scarce. The role of the heart in CPR biomechanics has not been determined. This study aimed to determine the risk factors importance for serious ribcage damage due to CPR. Methods: Data were collected from a prospective registry of out-of-hospital cardiac arrest between April 2014 and Apr
Energy efficiency is a priority goal and an important part of the transformation to a more sustainable society. The industrial sector is an important actor in this setting. In this chapter we outline the major principles for energy efficiency and energy management in industry and discuss how to develop the energy management perspective with theories from social science focusing on how situated act
Aims: Abdominal aortic aneurysm is a life-threatening condition due to the risk of aneurysm growth and rupture. There are no approved diagnostic or prognostic biomarkers for abdominal aortic aneurysm. We aimed to identify diagnostic and prognostic biomarkers for abdominal aortic aneurysm and to investigate their relationship with abdominal aortic aneurysm diameter and growth. Methods: In this case
