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Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations

Nitrogenase is the only enzyme that can cleave the strong triple bond in N2, making nitrogen available for biological life. There are three isozymes of nitrogenase, differing in the composition of the active site, viz., Mo, V, and Fe-nitrogenase. Recently, the first crystal structure of Fe-nitrogenase was presented. We have performed the first combined quantum mechanical and molecular mechanical (

Constraints on Earth System Functioning at the Paleocene-Eocene Thermal Maximum From the Marine Silicon Cycle

The Paleocene-Eocene Thermal Maximum (PETM, ca. 56 Ma) is marked by a negative carbon isotope excursion (CIE) and increased global temperatures. The CIE is thought to result from the release of 13C-depleted carbon, although the source(s) of carbon and triggers for its release, its rate of release, and the mechanisms by which the Earth system recovered are all debated. Many of the proposed mechanis

Methane dynamics in northern wetlands: Significance of vascular plants

Popular Abstract in Swedish Metan är en växthusgas med stor potential att påverka klimatet på Jorden. Den vattenmättade miljön i våtmarker erbjuder perfekta livsbetingelser för metanproducerande bakterier och detta medför att naturliga våtmarker är den största enskilda källan till metan i atmosfären, även då man räknar med antropogena utsläpp från, till exempel, förbränning av fossila bränslen. MoThe studies presented in Papers I to VI illustrate several different aspects of the impact of vascular plants on methane emissions from northern natural wetlands. The subject has been approached on different scales, ranging from the study of microbial substrates in the vicinity of a single plant root, to an attempt to extrapolate some of the results to the entire northern hemisphere north of 50°N.

New injection recommendations for patients with diabetes.

AIM: Injections administered by patients are one of the mainstays of diabetes management. Proper injection technique is vital to avoiding intramuscular injections, ensuring appropriate delivery to the subcutaneous tissues and avoiding common complications such as lipohypertrophy. Yet few formal guidelines have been published summarizing all that is known about best practice. We propose new injecti

Protein-lipid interactions of human dihydroorotate dehydrogenase and three mutants associated with Miller syndrome

Human dihydroorotate dehydrogenase (DHODH) catalyzes the fourth step of the de novo pyrimidine biosynthesis pathway and uses ubiquinone Q10, a lipophilic molecule located in the inner mitochondrial membrane (IMM), as its co-substrate. DHODH is anchored to the IMM by a single transmembrane helix located at its N-terminus. Nevertheless, how DHODH function is determined by its surrounding membrane en

Pollination deficits and their relation with insect pollinator visitation are cultivar-dependent in an entomophilous crop

Insects contribute considerably to global crop pollination, with pollination deficits being documented for multiple entomophilous or pollinator-dependent crops. Different cultivars of crops are being cultivated within and across production regions, so it is essential to understand the cultivar variability of pollination deficits. Here, we used a dataset from 286 sites from multiple production regi

Enhanced remote sensing of water surface elevation through fusion of Sentinel-3 altimeter data and climate variables using machine learning

Accurate and continuous monitoring of inland surface‌ water dynamics is vital for sustainable water resource management, climate impact assessment, and ecological planning. This study introduces a machine learning-based remote sensing-based data-fusion framework that improves Sentinel-3 radar altimeter (SRAL) estimations of water surface elevation (WSE) by integrating ERA5 reanalysis climate varia

Specific and efficient peptide substrates for assaying the proteolytic activity of prostate-specific antigen

Prostate-specific antigen (PSA) is a serine protease secreted by hath normal prostate glandular celts and prostate cancer cells. The major proteolytic substrates for PSA are the gel-forming proteins in semen, semenogelin (Sg) I and II. On the basis of the PSA cleavage map for Sg I and II, a series of small peptides (ie., ≤ 7 amino acids) was synthesized and coupled at the COOH terminus to 7-amino-

Investigating Ancient Agricultural Field Systems In Sweden From Airborne Lidar Data By Using Convolutional Neural Network

Today, the advances in airborne LIDAR technology provide high-resolution datasets that allow specialists to detect archaeological features hidden under wooded areas more efficiently. Still, the complexity and large scale of these datasets require automated analysis. In this respect, artificial intelligence (AI)-based analysis has recently created an alternative approach for interpreting remote sen

Accumulation of Intraneuronal beta-Amyloid 42 Peptides Is Associated with Early Changes in Microtubule-Associated Protein 2 in Neurites and Synapses

Pathologic aggregation of beta-amyloid (A beta) peptide and the axonal microtubule-associated protein tau protein are hallmarks of Alzheimer's disease (AD). Evidence supports that A beta peptide accumulation precedes microtubule-related pathology, although the link between A beta and tau remains unclear. We previously provided evidence for early co-localization of A beta 42 peptides and hyperphosp

Isolated hepatic perfusion as a treatment for uveal melanoma liver metastases (the SCANDIUM trial): study protocol for a randomized controlled trial

Background: Uveal melanoma is the most common primary intraocular malignancy in adults. Despite successful control of the primary tumor, metastatic disease will ultimately develop in approximately 50% of patients, with the liver being the most common site for metastases. The median survival for patients with liver metastases is between 6 and 12 months, and no treatment has in randomized trials eve

Comprehensive bioinformatic analysis of the specificity of human immunodeficiency virus type 1 protease

Rapidly developing viral resistance to licensed human immunodeficiency virus type 1 (HIV-1) protease inhibitors is an increasing problem in the treatment of HIV-infected individuals and AIDS patients. A rational design of more effective protease inhibitors and discovery of potential biological substrates for the HIV-1 protease require accurate models for protease cleavage specificity. In this stud

Experiences in urban governance for sustainability: the Constructive Dialogue in Swedish municipalities

The objective of this paper is to analyse the Constructive Dialogue, an initiative for collaborative and integrated urban governance for a sustainable built environment. The dialogue processes, implemented in six Swedish cities in 2004-2009, involved various actors and many types of initiative. Designed as a meta-analysis based on existing evaluations and supplementary interviews, this study exami

Condensation and evaporation heat transfer characteristics in horizontal smooth, herringbone and enhanced surface EHT tubes

An experimental investigation was performed to evaluate convective condensation and evaporation of R22, R32 and R410A inside a smooth tube (inner diameter 11.43 mm), a herringbone tube (fin root diameter 11.43 mm) and a newly developed enhanced surface EHT tube (inner diameter 11.5 mm) at low mass fluxes. The inner surface of the EHT tube is enhanced by dimple/protrusion and secondary petal arrays

Estimation of high-resolution terrestrial evapotranspiration from Landsat data using a simple Taylor skill fusion method

Estimation of high-resolution terrestrial evapotranspiration (ET) from Landsat data is important in many climatic, hydrologic, and agricultural applications, as it can help bridging the gap between existing coarse-resolution ET products and point-based field measurements. However, there is large uncertainty among existing ET products from Landsat that limit their application. This study presents a

Plan- och volymteknikproducerade bostadshus i trä: Jämförelse av stomstabilisering för två och fyra våningar

Traditionellt produceras trähus högst i två våningar p.g.a. historiskt svårkontrollerade brän-der. Idag är byggtekniken utvecklad och det är tillåtet att bygga trähus i flera våningar. Andel trähus som byggs med prefabricerade delar ökar idag i Sverige. Genom att producera montagefärdiga element i varierande storlek förflyttas husproduktionen från byggarbetsplats till fabrik. Syftet med studien äTraditionally, wooden houses are produced with a maximum of two floors, due to historical difficulties to control fires. Today, construction technology is developed so far that it is con-sidered safe to build wooden houses with additional floors. The percentage of wooden houses built with prefabricated parts is increasing in Sweden today. By producing module elements in various sizes, house produc

Waste management in Sweden – Case study at the IKEA warehouses in Älmhult

Caroline Eliasson Avfall – en av framtidens viktigaste resurser Avfallshanteringen har i både Sverige och EU genomgått stora förändringar de senaste åren. Ny lagstiftning och nya styrmedel har implementerats och gett gott resultat genom att minska mängden avfall som deponeras. Nästa utmaning är att kunna utnyttja materialet i avfallet mer än en gång. För det krävs nya strategier. AvfallshanterThe thesis consists of a description of the waste management in Sweden today, related to a case study at IKEA’s warehouses in Älmhult. Waste is globally one of the most important environmental challenges. Waste management in Sweden has developed a lot during the past years and is now standing in front of the next big challenge: to reach higher up in the waste hierarchy. By studying the academic li

Att sparera gående och cyklister

Pedestrians and cyclists are so-called unprotected road users which are sensitive in the context of road safety. When it comes to road safety focus are often placed on pedestrians-cars and cyclist-cars, in this report focus are placed on the road safety between pedestrians and cyclists. Pedestrians and cyclists are often referred to a combined space, with or without a separation. The purpose of th

SARs for the antiparasitic plant metabolite pulchrol. : 3. Combinations of new substituents in A/B-rings and A/C-rings

The natural products pulchrol and pulchral, isolated from the roots of the Mexican plant Bourreria pulchra, have previously been shown to possess an antiparasitic activity toward Trypanosoma cruzi, Leishmania braziliensis and L. amazonensis, protozoa responsible for the Chagas disease and leishmaniasis. These infections have been classified as neglected diseases, and still require the development