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Combined quantum mechanics and molecular mechanics (QM/MM) calculations are a popular approach to study reaction mechanisms of enzymes. However, recently, the reproducibility of such calculations has been questioned, comparing the results of two software: NWChem and Q-Chem. Here, we continue and extend this study by including three additional software─ComQum, ORCA, and AMBER─using the same test ca
Background: Peritoneal recurrence (PREC) following nephrectomy for localized renal cancer (RCC) is rare. Our objective was to report a multicenter analysis of PREC to analyze incidence, treatment, survival and risk factors. Methods: Between 1987 and 2023, patients with PREC following radical or partial nephrectomy (PN) for localized RCC across ten European institutions (UroCCR, NKI, IRCCS, Foch an
The radioactive noble gas radon (222Rn) is a suitable tracer for atmospheric transport and mixing processes that can be used to evaluate and calibrate atmospheric transport models or to estimate greenhouse gas (GHG) emissions using the so-called radon tracer method (RTM). However, these applications require reliable estimates of the 222Rn fluxes from the soil. This study evaluates two process-base
Dissolved organic matter (DOM) is a major source of macronutrients to freshwaters, yet it has variable and poorly understood bioavailability. Because intrinsic variation in bioavailability is caused by chemical structures of organic nutrients, DOM composition data should improve predictions of bioavailable resource pool sizes. We hypothesized that bioavailable organic carbon (C) and nitrogen (N) f
Examining the archaeological material of the modern period, over a period of the last 500 years, this open access book presents a series of case studies that challenges the fallacy of Nordic egalitarianism. The widening gap between rich and poor Western countries is now a well-known phenomenon and, while Scandinavia has often been hailed as one of the regions where inequality has been the lowest,
Organic pollutants in aquatic environments pose a threat to ecosystems and human health, a challenge that requires urgent resolution. This urgent threat highlights the need for the development of efficient technologies for pollutant detection and degradation in environmental protection. This study presents the successful fabrication of a composite nanomaterial consisting of Ag nanoparticle-decorat
Aducanumab, a human IgG1 antibody with plaque-clearing effects and modest clinical benefit, binds selectively to aggregated Aβ via the N-terminal region. Yet, the molecular details of how the antibody engages Aβ1-42 fibrils remain unresolved. Using magic-angle spinning NMR, we show that binding of aducanumab preserves the overall architecture of the Aβ1-42 fibril core while inducing significant st
Objective To investigate the relationship between active commuting and atherosclerosis in middle age using state-of-the-art coronary CT angiography (CCTA). Methods This cross-sectional study used data from the Swedish CArdioPulmonary bioImage Study (SCAPIS) and included 23 722 randomly recruited individuals aged 50–64 years from six different regions in Sweden. The exposure was commuting mode, ass
Questions: Earth observation is an important tool in biological monitoring. Previous studies have shown that variation in grassland canopy reflectance can explain gradients in plant community composition. However, there is a need for methods that allow the interpretation of the overall spectral signal of complex grassland vegetation in terms of existing knowledge about individual species' habitat
Antibiotika är en av de viktigaste upptäckterna under 1900-talet. Med antibiotika blev det möjligt att bekämpa och förhindra bakteriella infektioner. Ett växande och svårlöst problem är antibiotikaresistans. Detta projekt syftar till att hitta alternativ till klassisk antibiotika. Vi har arbetat med sialinsyra, en kolhydrat som återfinns på cellytan. De flesta bakterier tillverkar inte själva siaThe development and the use of anibiotics since the second half of XX century really affected the approach on treatment and prevention of infectious diseases. Despite a lot of resources and energies has been invested on the research, antibiotics resistance is a growing phenomenon in the last years. Today this problem has become a real public health priority worldwide, not only for the important cl
Flödescytometri som verktyg i dricksvattenproduktionens kvalitetssäkrande arbete Dricksvattenproducenter har flera metoder för att undersöka och kontrollera vattnets kvalitet. Den mikrobiella kvaliteten kan ta allt ifrån 18h till sju dygn att fastställa. Flödescytometri är en metod som har föreslagits som ett potentiellt alternativ eller tillägg till dessa metoder, och som erbjuder korta analystiQuality assurance is crucial for producers of drinking water, and several steps are taken to ensure a safe and aesthetically acceptable drinking water. Monitoring the microbiological quality of drinking water, both finished and within the drinking water treatment plants, is done through cultivation-based techniques. These techniques can take up several days before results can be seen, and quicker
Neophobia, or aversion to novelty, is important for adaptability and survival as it influences the ways in which animals navigate risk and interact with their environments. Across individuals, species and other taxonomic levels, neophobia is known to vary considerably, but our understanding of the wider ecological drivers of neophobia is hampered by a lack of comparative multispecies studies using
This doctoral thesis investigates mediaeval earthenware production, distribution and consumption based on material from Lund, Sweden, moving beyond simple technological shifts to explore the interplay of material factors, social practices, and economic influences. It presents a typology of hard greyware, redware and glazed redware, as well as the chemical analysis of circa 400 samples. The study a
Amelogenin self-assembly is a critical step in enamel matrix organization, supporting the spatial confinement of transient ACP and orchestrating hydroxyapatite nucleation and ordered growth. Studies have demonstrated that amelogenin self-assembles into nanoribbons by forming an amyloid-like structure that matches the cross-β pattern observed in the developing enamel matrix. However, molecular dete
Wind energy is an important form of clean energy, and its rational utilization represents a crucial solution for mitigating the energy crisis and global warming. In this study, wind energy potential and its long-term changes in the South China Sea (SCS) are evaluated using ERA5 100 m wind data from 1944 to 2023, validated against ASCAT observations. High wind speeds and high wind power density (WP
Beaches are important coastal features that provide vital ecosystem services; however, these systems are threatened by coastal erosion, sea-level rise, and coastal squeeze. Beach nourishments are a commonly applied coastal protection measure to mitigate erosion and flood risks while maintaining or enhancing recreational values. Nourishments vary in scale from mega-nourishments to small-scale nouri
Due to large losses of seagrass meadows worldwide, restoration is proposed as a key strategy for increasing coastal resilience and recovery. The emergence of a seagrass meadow is expected to substantially amplify biodiversity and enhance benthic metabolism by increasing primary productivity and respiration. Nevertheless, open questions remain regarding the metabolic balance of aging seagrass meado
