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We have studied the conformational dependence of molecular mechanics atomic charges for proteins by calculating the charges fitted to the quantum mechanical (QM) electrostatic potential (ESP) for all atoms in complexes between avidin and seven biotin analogues for 20 snapshots from molecular dynamics simulations. We have studied how various other charge sets reproduce those charges. The QM charges
The topic of this thesis is bioprocess control, more specifically control of industrial-scale microbial fed-batch bioprocesses. Its focus is therefore on methods which are easy to implement in an industrial setting, which gives certain limitations on sensors, actuators and control systems. The main part of the work in the thesis concerns control of the microbial substrate uptake rate by manipulat
We use statistical correlation of palaeomagnetic secular variation (PSV) curves from a varved Holocene lake sediment sequence in west central Sweden (Lake Kälksjön) against those of a Fennoscandian master stack (FENNOSTACK) to correct for an apparent error in the varve chronology. Additional correlation between a lead pollution-derived chronology for the last 2000 years corroborates the PSV result
Habitat selection is an important process that affects the distribution and abundance of organisms, and habitat selection theory is one of the flagships of theoretical ecology. Because of the importance of habitat selection in natural ecosystems and the successful history of the theoretical concepts, it has been Suggested that habitat selection theory can inform decision-making in population monit
Although heavy on labor and equipment, thus not often applied, cryoanalysis of frozen hydrated biological specimens can provide information that better reflects the living state of the organism, compared with analysis in the freeze-dried state. In this paper we report a study where the cryoanalysis facility with cryosectioning capabilities at Materials Research Department, iThemba LABS, South Afri
Aims To investigate the causal role of high-density lipoprotein cholesterol (HDL-C) and triglycerides in coronary heart disease (CHD) using multiple instrumental variables for Mendelian randomization. Methods and results We developed weighted allele scores based on single nucleotide polymorphisms (SNPs) with established associations with HDL-C, triglycerides, and low-density lipoprotein cholestero
Adsorption of uncharged homopolymers in good and theta solvents onto planar surfaces at various chain flexibility and polymer-surface attraction strengths was investigated by using a coarse-grained bead-spring polymer model and simulation techniques. Equilibrium properties of the interfacial systems were obtained from Monte Carlo simulations by monitoring the bead and polymer density profiles, the
Streptococcus pyogenes is an important human pathogen and surface structures allow it to adhere to, colonize and invade the human host. Proteins containing leucine rich repeats (LRR) have been indentified in mammals, viruses, archaea and several bacterial species. The LRRs are often involved in protein-protein interaction, are typically 20-30 amino acids long and the defining feature of the LRR mo
We perform a minimum distance analysis of a class of two-dimensional intersymbol interference (ISI) channels applicable to multitrack magnetic recording and orthogonal frequency division multiplex transmission systems. Exact minimum distance for a wide class of ISI responses is derived. The fundamental analytical technique is to transform the channel into an equivalent minimum phase channel. The r
Objective. Due to the high incidence of neonatal complications in diabetic pregnancies, the aim of our study was to investigate whether elective cesarean section could prevent adverse neonatal outcome. Design. Population-based study. Setting. Data were extracted from the Swedish Medical Birth Registry. Population. All women (n=13 491) with diabetic pregnancies during the period 1990-2007. Methods.
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Denna artikel analyserar den Europeiska upphovsrättens stigberoende (path dependence) i termer av en rättslig inlåsning oförmögen att anpassa sig till nyare sociala praktiker i ett digitalt samhälle. Artikeln härleder inlåsningen till framförallt tre huvudskäl relaterade till a) transaktionskostnader, b) makt, och c) nyckelmetaforers relation till tankestrukturer. Genom att analysera den moderna e
Aims: To examine biomarkers of oxidative stress (oxs), and endothelin (ET)-1, in hypertensive patients with atherosclerotic renal artery stenosis (ARAS) and to evaluate the effect of percutaneous transluminal renal angioplasty (PTRA). Methods: Baseline measurements were made immediately before renal angiography in patients with suspected ARAS (significant ARAS, n = 83, and non-RAS, n = 59) and in
Feedbacks mechanisms are essential components of our climate system, as they either increase or decrease changes in climate-related quantities in the presence of external forcings. In this work, we provide the first quantitative estimate regarding the terrestrial climate feedback loop connecting the increasing atmospheric carbon dioxide concentration, changes in gross primary production (GPP) asso
Orchestral playing is a central practice within Western European classical music. Previous research in the field of orchestral musicians’ learning and knowledge has mainly focused on students’ learning orchestral playing. Working conditions and work-related problems were also emphasized in previous studies. This thesis, however, focuses on professional orchestral musicians’ knowledge and learning.
My research has been focused on eye and limb development with regard to the transcription factor PITX2. In the first paper we present an Axenfeld-Rieger syndrome PITX2 gain-of-function eye mouse model. Axenfeld-Rieger syndrome is a rare autosomal disorder affecting the development of eyes, teeth and abdomen. The eye defects consist of anomalies in the anterior segment. In addition, almost 50% of A
