3,176 research outputs found
Keep it flexible: Driving macromolecular rotary motions in atomistic simulations with GROMACS.
Differential Effects of Alpha-Particle Radiation and X-Irradiation on Genes Associated with Apoptosis
This study examined differential effects of alpha-(α-) particle radiation and X-rays on apoptosis and associated changes in gene expression. Human monocytic cells were exposed to α-particle radiation and X-rays from 0 to 1.5âGy. Four days postexposure, cell death was measured by flow cytometry and 84 genes related to apoptosis were analyzed using real-time PCR. On average, 33% of the cells were apoptotic at 1.5âGy of α-particle radiation. Transcript profiling showed statistical expression of 15 genes at all three doses tested. Cells exposed to X-rays were <5% apoptotic at ~1.5âGy and induced less than a 2-fold expression in 6 apoptotic genes at the higher doses of radiation. Among these 6 genes, Fas and TNF-α were common to the α-irradiated cells. This data suggests that α-particle radiation initiates cell death by TNF-α and Fas activation and through intermediate signalling mediators that are distinct from X-irradiated cells
Long-term monitoring of black carbon across Germany
Lately, black carbon (BC) has received significant attention due to its climate-warming properties and adverse health effects. Nevertheless, long-term observations in urban areas are scarce, most likely because BC monitoring is not required by environmental legislation. This, however, handicaps the evaluation of air quality models which can be used to assess the effectiveness of policy measures which aim to reduce BC concentrations.
Here, we present a new dataset of atmospheric BC measurements from Germany constructed from over six million measurements at over 170 stations. Data covering the period between 1994 and 2014 were collected from twelve German Federal States and the Federal Environment Agency, quality checked and harmonized into a database with comprehensive metadata. The final data in original time resolution are available for download (https://doi.org/10.1594/PANGAEA.881173). Though assembled in a consistent way, the dataset is characterized by differences in (a) measurement methodologies for determining evolved carbon and optical absorption, (b) covered time periods, and (c) temporal resolutions that ranged from half hourly to measurements every 6th day. Usage and interpretation of this dataset thus requires a careful consideration of these differences.
Our analysis focuses on 2009, the year with the largest data coverage with one single methodology, as well as on the relative changes in long-term trends over ten years. For 2009, we find that BC concentrations at traffic sites were at least twice as high as at urban background, industrial and rural sites. Weekly cycles are most prominent at traffic stations, however, the presence of differences in concentrations during the week and on weekends at other station types suggests that traffic plays an important role throughout the full network. Generally higher concentrations and weaker weekly cycles during the winter months point towards the influence of other sources such as domestic heating. Regarding the long-term trends, advanced statistical techniques allow us to account for instrumentation changes and to separate seasonal and long-term changes in our dataset. Analysis shows a downward trend in BC at nearly all locations and in all conditions, with a high level of confidence for the period of 2005â2014. In depth analysis indicates that background BC is decreasing slowly, while the occurrences of high concentrations are decreasing more rapidly.
In summary, legislation â both in Europe and locally â to reduce particulate emissions and indirectly BC appear to be working, based on this analysis. Adverse human health and climate impacts are likely to be diminished because of the improvements in air quality
Hansen's Disease in an HIV Patient Complicated by Deep Vein Thrombosis: a Rare Complication of Thalidomide Therapy
Gromex: Electrostatics with chemical variability for realistic molecular simulations on the exascale.
A flexible, GPU - powered fast multipole method for realistic biomolecular simulations in Gromacs.
Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC.
Here we report on the performance of GROMACS 4.6 on the SuperMUC cluster at the Leibniz Rechenzentrum in Garching. We carried out benchmarks with three biomolecular systems consisting of eighty thousand to twelve million atoms in a strong scaling test each. The twelve million atom simulation system reached a performance of 49 nanoseconds per day on 32,768 cores
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