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Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. [NiFe] hydrogenase (H2ase), dimethyl sulfoxide reductase (DMSOR) and formate dehydrogenase (FDH), by theoretical methods, namely quantum mechanics (QM), combined quantum mechanical and molecular mechanics (QM/MM), as well as QM/MM thermodynamic cycle per

Isoprene is a highly reactive volatile organic compound emitted by vegetation, known to be a precursor of secondary organic aerosols and to enhance tropospheric ozone formation under polluted conditions. Isoprene emissions respond strongly to changes in meteorological parameters such as temperature and solar radiation. In addition, the increasing CO2 concentration has a dual effect, as it causes b

Background: The use of analgesic antipyretics (ANAP) in children have long been a matter of controversy. Data on their practical use on an individual level has, however, been scarce. There are indications of possible effects on glucose homeostasis and immune function related to the use of ANAP. The aim of this study was to analyze patterns of analgesic antipyretic use across the clinical centers o

Cu+-specific P-type ATPase membrane protein transporters regulate cellular copper levels. The lack of crystal structures in Cu+-binding states has limited our understanding of how ion entry and binding are achieved. Here, we characterize the molecular basis of Cu+ entry using molecular-dynamics simulations, structural modeling, and in vitro and in vivo functional assays. Protein structural rearran

Odorant receptors (OR) play a critical role in signal transduction and olfactory recognition in insects. Unfortunately, insect ORs are difficult to express and purify, and limited structural data are available. Computational methods were used to predict models for aphid ORs, and binding interactions with aphid pheromones and other semiochemicals were investigated. Previously functionally character

Aim: Statins lower cholesterol and reduce the risk of cardiovascular disease. However, the exact mechanisms of statins remain unknown. We investigated whether statin therapy associates with epigenetics in Type 2 diabetes (T2D) patients. Materials & methods: DNA methylation was analyzed in blood from newly diagnosed T2D patients in All New Diabetics in Scania (ANDIS) and a replication cohort Al

Genetic divergence and the frequency of hybridization are central for defining species delimitations, especially among cryptic species where morphological differences are merely absent. Rotifers are known for their high cryptic diversity and therefore are ideal model organisms to investigate such patterns. Here, we used the recently resolved Brachionus calyciflorus species complex to investigate w

Na2FePO4F is a promising cathode material for Na-ion batteries owing to its relatively high discharge voltage and excellent cycling performance. Now, the long- and short-range structural evolution of Na2FePO4F during cycling is studied by in situ high-energy X-ray diffraction (XRD), ex situ solid-state nuclear magnetic resonance (NMR), and first-principles DFT calculations. DFT calculations sugges

Inosine triphosphatase (ITPA) is a ubiquitous key regulator of cellular non-canonical nucleotide levels. It breaks down inosine and xanthine nucleotides generated by deamination of purine bases. Its enzymatic action prevents accumulation of ITP and reduces the risk of incorporation of potentially mutagenic inosine nucleotides into nucleic acids. Here we describe the crystal structure of human ITPA

Sjösås nya kyrka stod färdig 1865: mitt i socknen, mitt i människors vardagsliv. En nyklassicistisk kyrka, byggd under en tid då den svenska landsbygden fortfarande ökade sin befolkning. Tiderna förändrades och människor lämnade landsbygden för staden. Kvar stod kyrkan, byggd för 400 besökare. De sista åren användes den i snitt åtta gånger per år. Efter en brand 2022 står endast murväggarna efter Sjösås nya kyrka was finished 1865: in the centre of the parish, in the centre of people’s daily life. A neoclassical church, built during a period when the Swedish countryside still had an increasing population. Times changed, people left the countryside for the city. The church remained, built for 400 visitors. The past years it has been used approximately eight times per year. After a fire 2022

Japanese knotweed (Reynoutria japonica) is a problematic plant species that causes a lot of damage on anthropological constructions as well as ecosystems throughout Europe. Several attempts have been made to control this species, such as glyphosates, cutting/mowing, covering with geoweave and digging, so far with varying degrees of success. In recent times different techniques of heat treatment ha

During the first two decades of the 2000s, new perspectives on feasts and their social functions have been brought to the forefront by proponents of ethnoarchaeology. Concerns about diet, subsistence and reciprocity have been present in archaeology for a long time but recently the perspective has shifted somewhat, to include theories of the cultural symbolism and function of food and the importanc