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Myrosinase from Sinapis alba hydrolyzes glycosidic bonds of β-d-S-glucosides. The enzyme shows an enhanced activity in the presence of l-ascorbic acid. In this work, we employed combined quantum mechanical and molecular mechanical (QM/MM) calculations and molecular dynamics simulations to study the catalytic reaction of wild-type myrosinase and its E464A, Q187A, and Q187E mutants. Test calculation

Contemporary debates on sustainability usually relies on standardised and normative categories, such as ‘social’ and ‘nature’, and on linear notions of time. This study explores a more complex perspective on the delicate borderlands between the ‘un-sustainable’ and the ‘sustainable’. A particular material and a particular place stand at the centre of attention: woollen Merino fibre on the South Am

Quantum refinement (QR) is an approach in which the empirical restraints used in standard structural refinement to ensure that the details of the structure, e.g. bond lengths and angles, make chemical sense are replaced by more accurate quantum mechanical calculations for a small but interesting part of the structure. QR has previously been used for X-ray and neutron crystallography, cryogenic e

We have engineered apolipoprotein A-I (apoA-I), a major protein constituent of high-density lipoprotein (HDL), to contain DOTA-chelated Gd(III) as an MRI contrast agent for the purpose of imaging reconstituted HDL (rHDL) biodistribution, metabolism and regulation in vivo. This protein contrast agent was obtained by attaching the thiol-reactive Gd[MTS-ADO3A] label at Cys residues replaced at four d

In order to better address the feedbacks between climate and wetland methane (CH4) emissions, we tested several mechanistic improvements to the wetland CH4 emission model Peatland-VU with a longer Arctic data set than any other model: (1) inclusion of an improved hydrological module, (2) incorporation of a gross primary productivity (GPP) module, and (3) a more realistic soil-freezing scheme. A lo

A portable and time-integrating field sampler based on the supported liquid membrane (SLM) extraction technique was constructed. Using two programmable syringe pumps and one programmable valve, the sampler could carry out automatic unattended extraction for up to seven extracts, combining the steps of sampling, trace enrichment and clean-up. The sampler was applied to the extraction of four s-tria

Cyclin-dependent kinases (CDKs) that control cell cycle progression are regulated in many ways, including activating phosphorylation of a conserved threonine residue. This essential phosphorylation is carried out by the CDK-activating kinase (CAK). Here we examine the effects of replacing this threonine residue in human CDK2 by serine. We found that cyclin A bound equally well to wild-type CDK2 (C

Background: Atherosclerotic plaque ruptures, triggered by blood flow–associated biomechanical forces, cause most myocardial infarctions and strokes. Objectives: This study aims to investigate the exact location and underlying mechanisms of atherosclerotic plaque ruptures, identifying therapeutic targets against cardiovascular events. Methods: Histology, electron microscopy, bulk and spatial RNA se

In this report the preparation of colloidal molecules through electrostatically driven self-assembly of spherical, thermoresponsive microgel building blocks is investigated. Colloidal molecules are of interest to the scientific community because, unlike spherical colloids, they account for anisotropic interactions that can also be found in atomic molecules. The added benet of using thermoresponsiv

Factor IX is a vitamin K-dependent procoagulant zymogen of a serine protease. In the presence of Ca2+ the active form of factor IX (factor IXa beta) forms a complex with factor VIIIa on suitable phospholipid surfaces such as aggregated platelets. This macromolecular complex rapidly activates factor X. We have previously provided data that suggest an interaction between the NH2-terminal epidermal g

We have investigated the inhibition of the recently identified family C13 cysteine peptidase, pig legumain, by human cystatin C. The cystatin was seen to inhibit enzyme activity by stoichiometric 1:1 binding in competition with substrate. The Ki value for the interaction was 0.20 nM, i.e. cystatin C had an affinity for legumain similar to that for the papain-like family C1 cysteine peptidase, cath

Semi-natural grasslands in Scandinavia have been created by humans since many millennia ago, but the agricultural intensification in the last few centuries caused them to decline heavily. Accordingly, the biodiversity associated to these open, nutrient-poor habitats declined as well and many remnant populations are slowly declining and threatened to go extinct. In this study, I focused on declin

Popular Abstract in Swedish Våra kroppar är uppbyggda av celler. Dessa celler har olika funktioner beroende på var i kroppen de finns. Varje cell tar upp näring, omvandlar den till energi, och energin används för att cellen ska kunna fortleva och utöva specialiserade funktioner samt eventuellt reproducera sig. Kolhydrater är viktiga beståndsdelar i celler. De flesta av oss förknippar kolhydrater Proteoglycans (PGs) is a class of highly anionic macromolecules that consist of one or more linear polysaccharide chains (glycosaminoglycans, GAGs) covalently attached to a core protein. The biological functions of PGs are mainly due to the interactions of GAG chains with various protein ligands and regulatory factors, such as cytokines and growth factors. PGs and GAGs are critical for a diverse s

The chemical composition of foraminiferal calcite is widely used for studying past environmental conditions and biogeochemistry. However, high rates of microbial organic matter degradation and abundant dissolved metal sources in sediments and pore waters may impede the application of foraminifera-based proxies due to formation of secondary carbonates or other authigenic minerals on and/or inside o