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

OBJECTIVE: Between 1985 and 1994, 883 cases of acute pancreatitis were treated in Malmö, Sweden (population 233,000). The purpose of this study was to report the short- and long-term outcome of the 79 cases that were severe, according to the Atlanta classification. DESIGN: Retrospective and follow-up study a median time of 7 years since the attack. SETTING: University hospital, Sweden. SU

We are facing a water crisis because the world’s water resources must supplya population of record size. Strategic use of water and utilisation of damsin some form will be an important part of the solution. The pressure for multiobjective utilisation of dams will increase. But if one and the same dam isto be employed for a number of purposes, conflicts of interest may arise. Whendams are to provid

Popular Abstract in Swedish På Internet initieras en mängd tjänster på många områden. Det är tjänster som på flera sätt ingår i vardagslivet. I avhandlingen undersöks en av dessa tjänster och sätthur den används. Avhandlingen är en studie av e-handel av livsmedel i Sverige i perioden 1998-2003. Det är en period då e-handel bedrivs av de flesta stora aktörer på den svenska livsmedelsmarknaden men äFrom a social constructivist point of view this thesis investigates how e-commerce of grocery develops in the period 1998-2003. The empirical research is done in Sweden. Most Swedish grocery concerns that have had e-commerce and have been forced to shut down as a result of lack of demand. The starting point for this thesis is that technological development is an ongoing process where different act

A new nuclear microscopy technique called ion photon emission microscopy or IPEM was recently invented. IPEM allows analysis involving single ions, such as ion beam induced charge (IBIC) or single event upset (SEU) imaging using a slightly modified optical microscope. The spatial resolution of IPEM is currently limited to more than 10 mu m by the scattering and reflection of ion-induced photons, i

Objective: The formation of glucose degradation products (GDPs) during sterilization of peritoneal dialysis fluids (PDFs) is one of the most important aspects of biocompatibility of glucose-containing PDFs. Producers of PDFs are thus trying to minimize the level of GDPs in their products. 3,4-Dideoxyglucosone-3-ene (3,4-DGE) has been identified as the most bioreactive GDP in PDFs. It exists in a t

Abstract in German Handekzeme sind sehr häufig, können verschiedene Ursachen haben und trotz einer Vielzahl von Behandlungsoptionen, die von topischen Kortikosteroiden über Phototherapie bis zur oralen Gabe von Ciclosporin und Retinoiden reichen, eine therapeutische Herausforderung darstellen. In den führenden Literaturdatenbanken (ldquorCochraneldquo, ldquorMEDLINEldquo, ldquorEmbaseldquo, ldquor

The issue of this article is the direction of the Swedish compulsory school. The article is based upon the results of a longitudinal study of four schools participating in a probation, initiated by the Swedish government, where they are allowed to work without the timetable. What regulates school activity when there is no timetable that prescribes the amount of time for each subject? What are the

In this paper, a number of challenges, which need to be overcome if multivariate monitoring of wastewater treatment operation is to be successful, are presented. For each challenge, one or several solutions are discussed. The methodologies are illustrated using an example from full-scale wastewater treatment operation. Some guidelines regarding choices of methods and implementation aspects are giv

Rheumatoid arthritis is a chronic inflammatory disease associated with certain HLA-DR4 subtypes. The target autoantigen(s) is unknown, but type II collagen (CII) is a candidate, with a single immunodominant DR4-restricted 261-273 T cell epitope (CII(261273)). In the present study, we have prepared HLA-DR4:CII(261-273) tetramers and analyzed peripheral blood, lymph node, and synovial fluid cells fr

We describe the detectors for identification of charged particles and fragments in CHICSi, a large solid angle multitelescope system mounted inside an ultra-high vacuum (UHV), cluster-jet target chamber. CHICSi performs nuclear reaction experiments at storage rings. The telescopes consist of a first very thin, 10-14 mum Si detector, a second 300 mum (or possibly 500 pm) ion implanted Si detector s

Acoustic driving techniques can produce luminescence in semiconductors quite efficiently. A mixture of grain particles, for example, emits light when driven by sufficiently intense acoustic fields. This effect is therefore particularly interesting for exploring the dynamics of granular solids. By applying this novel technique, further insight is gained when monitoring the driving-induced evolution

The main purpose of the pursued research is to increase knowledge of the effects of knots in structural timber so that characteristics of weaker timber may be determined and applied to improve current grading techniques. In the process, a three-dimensional fiber paradigm was established, which describes variations of local principle material axes in timber containing knots. The adaptability of the

Maturity-onset diabetes of the young (MODY) is a heterogeneous single gene disorder characterized by non–insulin-dependent diabetes, an early onset and autosomal dominant inheritance. Mutations in six genes have been shown to cause MODY. Approximately 15–20% of families fitting MODY criteria do not have mutations in any of the known genes. These families provide a rich resource for the identificat

Wider use of oral anticoagulants has led to an increasing frequency of warfarin-related intracerebral hemorrhage (ICH). The high early mortality of approximately 50% has remained stable in recent decades. In contrast to spontaneous ICH, the duration of bleeding is, 12 to 24 hours in many patients, offering a longer opportunity for Intervention. Treatment varies widely, and optimal therapy has yet