Decomposition in HTPB bonded HMX followed by heat generation rate and chemiluminescence

The decomposition in HTPB bonded HMX was characterized with two highly sensitive methods: heat flow microcalorimetry (HFMC) and Chemiluminescence (CL). The material is stabilized with a phenolic antioxidant. The heat generation (HFMC) rate was determined from 120 to 150°C using a TAM™ microcalorimeter and the oxidation of the substance was followed by the CL emission between 100 and 140°C directly from the solid state sample. The end of antioxidant activity results in both measurements sets in characteristic changes in the curves. Kinetic parameters were calculated applying Arrhenius parameterization for the times to the end of antioxidant activity and by applying modelling with an autocatalytic model extended by a side reaction, which is assigned to the antioxidant consumption. The evaluation with the characteristic times gives good agreement between the two methods; the modelling represents the different but supplementing probing of the two measurement method

The consequences of compromising the EU's free movement of persons principle on Swiss research: how to survive constrained access to regional funding

Between 2014 and 2016, Switzerland's access to some of the EU funding was limited after a referendum against mass immigration was accepted and the country refused to sign the free movement accord to the EU's newest member, Croatia. It is well documented that Switzerland has suffered from a drop in participation, funding and a decrease in consortium lead positions. However, there is no account of the consequences on institutional level. We therefore aimed at describing the immediate- and longer-term impact of the partial association status to the Swiss Tropical and Public Health Institute (Swiss TPH) and to identify key strategies for minimizing institutional damage during a limited access period to a key regional funding source. A quantitative analysis of the institute's grants database, from 2007 to 2019, did not show any clear trends related to the partial association status of Switzerland for funding and projects awarded. The qualitative outcomes changed along the timeline assessed; whereas in 2014 a range of negative effects were stated by Swiss TPH researchers, a survey conducted in 2019 with Swiss TPH applicants and project partners to Horizon 2020, revealed that most project leaders felt that the partial association did neither affect their external partners' willingness to collaborate nor Swiss TPH's role in the proposal or consortium. On the other hand, the institutional strategic goal of taking on consortia leads was delayed by several years as a direct consequence of the partial association. Also, the exclusion from European research networks and the lack of consultation of expertise by the European partner institutions was widely seen as damaging. A policy of favouring long-term partnerships over ad-hoc collaborations, along with constant and trustful communication, as immediate mitigation measure, helped averting some of the reputational and access damage. Moreover, the Swiss TPH business model based on a three-way strategy of research, education and services has proven highly viable allowing to build a large pool of potential funding sources internationally, resulting in relative resilience in terms of income lost

Regional wave propagation using the discontinuous Galerkin method

We present an application of the discontinuous Galerkin (DG) method to regional wave propagation. The method makes use of unstructured tetrahedral meshes, combined with a time integration scheme solving the arbitrary high-order derivative (ADER) Riemann problem. This ADER-DG method is high-order accurate in space and time, beneficial for reliable simulations of high-frequency wavefields over long propagation distances. Due to the ease with which tetrahedral grids can be adapted to complex geometries, undulating topography of the Earth's surface and interior interfaces can be readily implemented in the computational domain. The ADER-DG method is benchmarked for the accurate radiation of elastic waves excited by an explosive and a shear dislocation source. We compare real data measurements with synthetics of the 2009 L'Aquila event (central Italy). We take advantage of the geometrical flexibility of the approach to generate a European model composed of the 3-D <i>EPcrust</i> model, combined with the depth-dependent <i>ak135</i> velocity model in the upper mantle. The results confirm the applicability of the ADER-DG method for regional scale earthquake simulations, which provides an alternative to existing methodologies

On the Effect of Aleatoric and Epistemic Errors on the Learnability and Quality of NN-based Potential Energy Surfaces

The effect of noise in the input data for learning potential energy surfaces (PESs) based on neural networks for chemical applications is assessed. Noise in energies and forces can result from aleatoric and epistemic errors in the quantum chemical reference calculations. Statistical (aleatoric) noise arises for example due to the need to set convergence thresholds in the self consistent field (SCF) iterations whereas systematic (epistemic) noise is due to, {\it inter alia}, particular choices of basis sets in the calculations. The two molecules considered here as proxies are H$_{2}$CO and HONO which are examples for single- and multi-reference problems, respectively, for geometries around the minimum energy structure. For H$_2$CO it is found that adding noise to energies with magnitudes representative of single-point calculations does not deteriorate the quality of the final PESs whereas increasing the noise level commensurate with electronic structure calculations for more complicated, e.g. metal-containing, systems is expected to have a more notable effect. However, the effect of noise on the forces is more noticeable. On the other hand, for HONO which requires a multi-reference treatment, a clear correlation between model quality and the degree of multi-reference character as measured by the $T_1$ amplitude is found. It is concluded that for chemically "simple" cases the effect of aleatoric and epistemic noise is manageable without evident deterioration of the trained model - although the quality of the forces is important. However, considerably more care needs to be exercised for situations in which multi-reference effects are present

The Impact of the Introduction of Total Mesorectal Excision on Local Recurrence Rate and Survival in Rectal Cancer: Long-Term Results

Purpose: To investigate the influence of the introduction of total mesorectal excision (TME) on local recurrence rate and survival in patients with rectal cancer. Methods: A total of 171 consecutive patients underwent anterior or abdominoperineal resection for primary rectal cancer. When the TME technique was introduced, the clinical setting, including the surgeons, remained the same. Group 1 (1993-95, n=53) underwent conventional surgery and group 2 (1995-2001, n=118) underwent TME. All patients were followed for 7years or until death. Results: Between the two groups, no statistically significant differences were present with regards to patient-, treatment-, or tumor-related characteristics apart from the time point of radiotherapy. The total local recurrence rates were 11 of 53 (20.8%) in group 1 and 7 of 118 (5.9%) in group 2, and the rates of isolated local recurrences were 6 of 53 (11.3%) in group 1 and 2 of 118 (1.7%) in group 2. Both differences were highly statistically significant. The disease-free survival in groups 1 and 2 was 60.4 and 65.3% at 5years, and 58.5 and 65.3% at 7years, respectively. Excluding patients with synchronous or metachronous distant metastasis from the analysis, both the disease-free survival and the cancer-specific survival were statistically significantly better in group 2 than in group 1. No statistically significant difference between the two groups was detected regarding the overall survival. Conclusions: The introduction of TME led to an impressive reduction of the local recurrence rate. Survival is mainly determined by the occurrence of distant metastasis, but TME seems to improve survival in patients without systemic diseas

Dynamic rupture modeling on unstructured meshes using a discontinuous Galerkin method

We introduce the application of an arbitrary high-order derivative (ADER) discontinuous Galerkin (DG) method to simulate earthquake rupture dynamics. The ADER-DG method uses triangles as computational cells which simplifies the process of discretization of very complex surfaces and volumes by using external automated tools. Discontinuous Galerkin methods are well suited for solving dynamic rupture problems in the velocity-stress formulation as the variables are naturally discontinuous at the interface between two elements. Therefore, the fault has to be honored by the computational mesh. The so-called Riemann problem can be solved to obtain well defined values of the variables at the discontinuity itself. Fault geometries of high complexity can be modeled thanks to the flexibility of unstructured meshes, which solves a major bottleneck of other high-order numerical methods. Additionally, element refinement and coarsening are easily controlled in the meshing process to better resolve the near-fault area of the model. The fundamental properties of the method are shown, as well as a series of validating exercises with reference solutions and a comparison with the well-established finite difference, boundary integral, and spectral element methods, in order to test the accuracy of our formulation. An example of dynamic rupture on a nonplanar fault based upon the Landers 1992 earthquake fault system is presented to illustrate the main potentials of the new method

Identifying Genes Involved in Paraganglioma Genesis

The paraganglion system is composed of a collection of chromaffin cells that is distributed throughout the body. Embryonically, chromaffin cells arise from the neuroectodermal tissue of the neural crest and are thought to migrate along the innervating nerves or vasculature towards their primordial location to form the paraganglia. The largest paraganglion is the adrenal medulla, an important neuroendocrine organ, which is the body’s main source of catecholamines (adrenalin, noradrenalin and dopamine). The adrenal medulla receives input from the sympathetic nervous system through preganglionic fibers upon which it releases its secretions directly into the blood. Besides this adrenal station there are many extra‐adrenal paraganglia that are distributed along the body axis and located in the proximity of ganglia of the sympathetic chain or in association with cranial nerves and blood vessels

Sero-Epidemiology as a Tool to Screen Populations for Exposure to Mycobacterium ulcerans

Sero-epidemiological analyses revealed that a higher proportion of sera from individuals living in the Buruli ulcer (BU) endemic Densu River Valley of Ghana contain Mycobacterium ulcerans 18 kDa small heat shock protein (shsp)-specific IgG than sera from inhabitants of the Volta Region, which was regarded so far as BU non-endemic. However, follow-up studies in the Volta Region showed that the individual with the highest anti-18 kDa shsp-specific serum IgG titer of all participants from the Volta Region had a BU lesion. Identification of more BU patients in the Volta Region by subsequent active case search demonstrated that sero-epidemiology can help identify low endemicity areas. Endemic and non-endemic communities along the Densu River Valley differed neither in sero-prevalence nor in positivity of environmental samples in PCR targeting M. ulcerans genomic and plasmid DNA sequences. A lower risk of developing M. ulcerans disease in the non-endemic communities may either be related to host factors or a lower virulence of local M. ulcerans strains

LPMLE3 : a novel 1-D approach to study water flow in streambeds using heat as a tracer

We introduce LPMLE3, a new 1-D approach to quantify vertical water flow components at streambeds using temperature data collected in different depths. LPMLE3 solves the partial differential equation for coupled water flow and heat transport in the frequency domain. Unlike other 1-D approaches it does not assume a semi-infinite halfspace with the location of the lower boundary condition approaching infinity. Instead, it uses local upper and lower boundary conditions. As such, the streambed can be divided into finite subdomains bound at the top and bottom by a temperature-time series. Information from a third temperature sensor within each subdomain is then used for parameter estimation. LPMLE3 applies a low order local polynomial to separate periodic and transient parts (including the noise contributions) of a temperature-time series and calculates the frequency response of each subdomain to a known temperature input at the streambed top. A maximum-likelihood estimator is used to estimate the vertical component of water flow, thermal diffusivity, and their uncertainties for each streambed subdomain and provides information regarding model quality. We tested the method on synthetic temperature data generated with the numerical model STRIVE and demonstrate how the vertical flow component can be quantified for field data collected in a Belgian stream. We show that by using the results in additional analyses, nonvertical flow components could be identified and by making certain assumptions they could be quantified for each subdomain. LPMLE3 performed well on both simulated and field data and can be considered a valuable addition to the existing 1-D methods

Measurement of the beam-helicity asymmetry I⊙I^{\odot} in the photoproduction of π0π±\pi^0\pi^{\pm}-pairs off protons and off neutrons

Beam-helicity asymmetries have been measured at the MAMI accelerator in Mainz for the photoproduction of mixed-charge pion pairs in the reactions $\boldsymbol{\gamma}p\rightarrow n\pi^0\pi^+$ off free protons and $\boldsymbol{\gamma}d\rightarrow (p)p\pi^0\pi^-$ and $\boldsymbol{\gamma}d\rightarrow (n)n\pi^0\pi^+$ off quasi-free nucleons bound in the deuteron for incident photon energies up to 1.4 GeV. Circularly polarized photons were produced from bremsstrahlung of longitudinally polarized electrons and tagged with the Glasgow-Mainz magnetic spectrometer. The charged pions, recoil protons, recoil neutrons, and decay photons from $\pi^0$ mesons were detected in the 4$\pi$ electromagnetic calorimeter composed of the Crystal Ball and TAPS detectors. Using a complete kinematic reconstruction of the final state, excellent agreement was found between the results for free and quasi-free protons, suggesting that the quasi-free neutron results are also a close approximation of the free-neutron asymmetries. A comparison of the results to the predictions of the Two-Pion-MAID reaction model shows that the reaction mechanisms are still not well understood, in particular at low incident photon energies in the second nucleon-resonance region.Comment: accepted for publication in Eur. phys. J.