Optimizing power-to-H2 participation in the Nord Pool electricity market: effects of different bidding strategies on plant operation

The operation of power-to-X systems requires measures to control the cost and sustainability of electricity purchased from spot markets. This study investigated different bidding strategies for the dayahead market with a special focus on Sweden. A price independent order (PIO) strategy was developed assisted by forecasting electricity prices with an artificial neural network. For comparison, a price dependent order (PDO) with fixed bid price was used. The bidding strategies were used to simulate H2 production with both alkaline and proton exchange membrane electrolysers in different years and technological scenarios. Results showed that using PIO to control H2 production helped to avoid the purchase of expensive and carbon intense electricity during peak loads, but it also reduced the total number of operating hours compared to PDO. For this reason, under optimal conditions for both bidding strategies, PDO resulted in an average of 10.9% lower levelised cost of H2, and more attractive cash flows and net present values than PIO. Nevertheless, PIO showed to be a useful strategy to control costs in years with unexpected hourly price behaviour such as 2018. Furthermore, PIO could be successfully demonstrated in a practical case study to fulfil the on-demand requirement of an industrial captive customer

Targeting proinflammatory cytokines ameliorates calcifying phenotype conversion of vascular progenitors under uremic conditions in vitro

Severe vascular calcification develops almost invariably in chronic kidney patients posing a substantial risk to quality of life and survival. This unmet medical need demands identification of novel therapeutic modalities. We aimed to pinpoint components of the uremic microenvironment triggering differentiation of vascular progenitors to calcifying osteoblast-like cells. In an unbiased approach, assessing the individual potency of 63 uremic retention solutes to enhance calcific phenotype conversion of vascular progenitor cells, the pro-inflammatory cytokines IL-1 beta and TNF-alpha were identified as the strongest inducers followed by FGF-2, and PTH. Pharmacologic targeting of these molecules alone or in combination additively antagonized pro-calcifying properties of sera from uremic patients. Our findings stress the importance of pro-inflammatory cytokines above other characteristic components of the uremic microenvironment as key mediators of calcifying osteoblastic differentiation in vascular progenitors. Belonging to the group of "middle-sized molecules", they are neither effectively removed by conventional dialysis nor influenced by established supportive therapies. Specific pharmacologic interventions or novel extracorporeal approaches may help preserve regenerative capacity and control vascular calcification due to uremic environment

Apoptosome activation, an important molecular instigator in 6-mercaptopurine induced Leydig cell death.

Leydig cells are crucial to the production of testosterone in males. It is unknown if the cancer chemotherapeutic drug, 6-mercaptopurine (6 MP), produces Leydig cell failure among adult survivors of childhood acute lymphoblastic leukemia. Moreover, it is not known whether Leydig cell failure is due to either a loss of cells or an impairment in their function. Herein, we show, in a subset of childhood cancer survivors, that Leydig cell failure is related to the dose of 6 MP. This was extended, in a murine model, to demonstrate that 6 MP exposure induced caspase 3 activation, and the loss of Leydig cells was independent of Bak and Bax activation. The death of these non-proliferating cells was triggered by 6 MP metabolism, requiring formation of both cytosolic reactive oxygen species and thiopurine nucleotide triphosphates. The thiopurine nucleotide triphosphates (with physiological amounts of dATP) uniquely activated the apoptosome. An ABC transporter (Abcc4/Mrp4) reduced the amount of thiopurines, thereby providing protection for Leydig cells. The studies reported here demonstrate that the apoptosome is uniquely activated by thiopurine nucleotides and suggest that 6 MP induced Leydig cell death is likely a cause of Leydig cell failure in some survivors of childhood cancer

Excess free energy and Casimir forces in systems with long-range interactions of van-der-Waals type: General considerations and exact spherical-model results

We consider systems confined to a $d$-dimensional slab of macroscopic lateral extension and finite thickness $L$ that undergo a continuous bulk phase transition in the limit $L\to\infty$ and are describable by an O(n) symmetrical Hamiltonian. Periodic boundary conditions are applied across the slab. We study the effects of long-range pair interactions whose potential decays as $b x^{-(d+\sigma)}$ as $x\to\infty$, with $2<\sigma<4$ and $2<d+\sigma\leq 6$, on the Casimir effect at and near the bulk critical temperature $T_{c,\infty}$, for $2<d<4$. For the scaled reduced Casimir force per unit cross-sectional area, we obtain the form L^{d} {\mathcal F}_C/k_BT \approx \Xi_0(L/\xi_\infty) + g_\omega L^{-\omega}\Xi\omega(L/\xi_\infty) + g_\sigma L^{-\omega_\sigm a} \Xi_\sigma(L \xi_\infty). The contribution $\propto g_\sigma$ decays for $T\neq T_{c,\infty}$ algebraically in $L$ rather than exponentially, and hence becomes dominant in an appropriate regime of temperatures and $L$. We derive exact results for spherical and Gaussian models which confirm these findings. In the case $d+\sigma =6$, which includes that of nonretarded van-der-Waals interactions in $d=3$ dimensions, the power laws of the corrections to scaling $\propto b$ of the spherical model are found to get modified by logarithms. Using general RG ideas, we show that these logarithmic singularities originate from the degeneracy $\omega=\omega_\sigma=4-d$ that occurs for the spherical model when $d+\sigma=6$, in conjunction with the $b$ dependence of $g_\omega$.Comment: 28 RevTeX pages, 12 eps figures, submitted to PR

Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces

Independent electron surface hopping (IESH) is a computational algorithm for simulating the mixed quantum-classical molecular dynamics of adsorbate atoms and molecules interacting with metal surfaces. It is capable of modelling the nonadiabatic effects of electron-hole pair excitations on molecular dynamics. Here we present a transparent, reliable, and efficient implementation of IESH, demonstrating its ability to predict scattering and desorption probabilities across a variety of systems, ranging from model Hamiltonians to full dimensional atomistic systems. We further show how the algorithm can be modified to account for the application of an external bias potential, comparing its accuracy to results obtained using the hierarchical quantum master equation. Our results show that IESH is a practical method for modelling coupled electron-nuclear dynamics at metal surfaces, especially for highly energetic scattering events

Automated analysis and benchmarking of GCMC simulation programs in application to gas adsorption.

<p>In this work we set out to evaluate the computational performance of several popular Monte Carlo simulation programs, namely Cassandra, DL Monte, Music, Raspa and Towhee, in modelling gas adsorption in crystalline materials. We focus on the reference case of adsorption in IRMOF-1 at 208 K. To critically assess their performance, we first establish some criteria which allow us to make this assessment on a consistent basis. Specifically, the total computational time required for a program to complete a simulation of an adsorption point, consists of the time required for equilibration plus time required to generate a specific number of uncorrelated samples of the property of interest. Our analysis shows that across different programs there is a wide difference in the statistical value of a single MC step, however their computational performance is quite comparable. We further explore the use of energy grids and energy bias techniques, as well as the efficiency of the parallel execution of the simulations. The test cases developed are made openly available as a resource for the community, and can be used for validation and as a template for further studies.</p

Ebola Outbreak Containment: Real-Time Task and Resource Coordination With SORMAS

Background: Since the beginning of the Ebola outbreak in West Africa in 2014, more than 11,000 people died. For outbreaks of infectious diseases like this, the rapid implementation of control measures is a crucial factor for containment. In West African countries, outbreak surveillance is a paper-based process with significant delays in forwarding outbreak information, which affects the ability to react adequately to situational changes. Our objective therefore was to develop a tool that improves data collection, situation assessment, and coordination of response measures in outbreak surveillance processes for a better containment. Methods: We have developed the Surveillance and Outbreak Response Management System (SORMAS) based on findings from Nigeria's 2014 Ebola outbreak. We conducted a thorough requirements engineering and defined personas and processes. We also defined a data schema with specific variables to measure in outbreak situations. We designed our system to be a cloud application that consists of interfaces for both mobile devices and desktop computers to support all stakeholders in the process. In the field, health workers collect data on the outbreak situation via mobile applications and directly transmit it to control centers. At the control centers, health workers access SORMAS via desktop computers, receive instant updates on critical situations, react immediately on emergencies, and coordinate the implementation of control measures with SORMAS. Results: We have tested SORMAS in multiple workshops and a field study in July 2015. Results from workshops confirmed derived requirements and implemented features, but also led to further iterations on the systems regarding usability. Results from the field study are currently under assessment. General feedback showed high enthusiasm about the system and stressed its benefits for an effective outbreak containment of infectious diseases. Conclusions: SORMAS is a software tool to support health workers in efficiently handling outbreak situations of infectious diseases, such as Ebola. Our tool enables a bi-directional exchange of situational data between individual stakeholders in outbreak containment. This allows instant and seamless collection of data from the field and its instantaneous analysis in operational centers. By that, SORMAS accelerates the implementation of control measures, which is crucial for a successful outbreak containment.Peer Reviewe

MRI atlas of a lizard brain

Magnetic resonance imaging (MRI) is an established technique for neuroanatomical analysis, being particularly useful in the medical sciences. However, the application of MRI to evolutionary neuroscience is still in its infancy. Few magnetic resonance brain atlases exist outside the standard model organisms in neuroscience and no magnetic resonance atlas has been produced for any reptile brain. A detailed understanding of reptilian brain anatomy is necessary to elucidate the evolutionary origin of enigmatic brain structures such as the cerebral cortex. Here, we present a magnetic resonance atlas for the brain of a representative squamate reptile, the Australian tawny dragon (Agamidae: Ctenophorus decresii), which has been the subject of numerous ecological and behavioral studies. We used a high-field 11.74T magnet, a paramagnetic contrasting-enhancing agent and minimum-deformation modeling of the brains of thirteen adult male individuals. From this, we created a high-resolution three-dimensional model of a lizard brain. The 3D-MRI model can be freely downloaded and allows a better comprehension of brain areas, nuclei, and fiber tracts, facilitating comparison with other species and setting the basis for future comparative evolution imaging studies. The MRI model and atlas of a tawny dragon brain (Ctenophorus decresii) can be viewed online and downloaded using the Wiley Biolucida Server at wiley.biolucida.net.Government of Australia, Grant/Award Numbers: APA#31/2011, IPRS#1182/2010; National Science and Engineering Research Council of Canada, Grant/Award Number: PGSD3-415253-2012; Quebec Nature and Technology Research Fund, Grant/AwardNumber: 208332; National Imaging Facility of Australia; Spanish Ministerio de Economía y Competitividad and Fondo Europeo de Desarrollo Regional, Grant/Award Number:BFU2015-68537-

Tubulin polyglutamylation stimulates spastin-mediated microtubule severing

Microtubules with long polyglutamylated C-terminal tails are more prone to severing by spastin, establishing the importance of tubulin posttranslational modifications