Insights into the structural complexity and local disorder of crystalline AsTe from semi-automated first-principles modelling.

A semi-automated workflow relying on atomic-scale modelling is introduced to explore and understand the yet-unsolved structure of the crystalline AsTe material, recently obtained from crystallization of the parent AsTe glass, which shows promising properties for thermoelectric applications. The seemingly complex crystal structure of AsTe is investigated with density functional theory, from the stand point of As/Te disorder, in a structural template derived from elemental-Te (Te), following experimental findings from combined X-ray total scattering and diffraction. Our workflow includes a combinatorial structure generation step followed by successive structure selection and relaxation steps with progressively-increasing accuracy levels and a multi-criterion evaluation procedure.

Encapsulating Nickel-Iron Alloy Nanoparticles in a Polysilazane-Derived Microporous Si-C-O-N-Based Support to Stimulate Superior OER Activity.

The in situ confinement of nickel (Ni)-iron (Fe) nanoparticles (NPs) in a polymer-derived microporous silicon carboxynitride (Si-C-O-N)-based support is investigated to stimulate superior oxygen evolution reaction (OER) activity in an alkaline media. Firstly, we consider a commercial polysilazane (PSZ) and Ni and Fe chlorides to be mixed in N,N-dimethylformamide (DMF) and deliver after overnight solvent reflux a series of Ni-Fe : organosilicon coordination polymers. The latter are then heat-treated at 500 °C in flowing argon to form the title compounds.

Caffeic Acid-Zinc Basic Salt/Chitosan Nanohybrid Possesses Controlled Release Properties and Exhibits In Vivo Anti-Inflammatory Activities.

Caffeic acid (CA) exhibits a myriad of biological activities including cardioprotective action, antioxidant, antitumor, anti-inflammatory, and antimicrobial properties. On the other hand, CA presents low water solubility and poor bioavailability, which have limited its use for therapeutic applications. The objective of this study was to develop a nanohybrid of zinc basic salts (ZBS) and chitosan (Ch) containing CA (ZBS-CA/Ch) and evaluate its anti-edematogenic and antioxidant activity in dextran and carrageenan-induced paw edema model.

Low temperature immobilization of nanoscale fcc and hcp polymorphic nickel particles in polymer-derived Si-C-O-N(H) to promote electrocatalytic water oxidation in alkaline media.

We synthesized nickel (Ni) nanoparticles (NPs) in a high specific surface area (SSA) p-block element-containing inorganic compound prepared the polymer-derived ceramics (PDC) route to dispatch the obtained nanocomposite towards oxygen evolution reaction (OER). The formation of Ni NPs in an amorphous silicon carboxynitride (Si-C-O-N(H)) matrix is allowed by the reactive blending of a polysilazane, NiCl and DMF followed by the subsequent thermolysis of the Ni : organosilicon polymer coordination complex at a temperature as low as 500 °C in flowing argon. The final nanocomposite displays a BET SSA as high as 311 m g while the structure of the NPs corresponds to face-centred cubic (fcc) Ni along with interstitial-atom free (IAF) hexagonal close-packed (hcp) Ni as revealed by XRD.

Tick transmission of Borrelia burgdorferi to the murine host is not influenced by environmentally acquired midgut microbiota.

Background: Ixodes scapularis is the predominant tick vector of Borrelia burgdorferi, the agent of Lyme disease, in the USA. Molecular interactions between the tick and B. burgdorferi orchestrate the migration of spirochetes from the midgut to the salivary glands-critical steps that precede transmission to the vertebrate host.

Europe-Wide Atmospheric Radionuclide Dispersion by Unprecedented Wildfires in the Chernobyl Exclusion Zone, April 2020.

From early April 2020, wildfires raged in the highly contaminated areas around the Chernobyl nuclear power plant (CNPP), Ukraine. For about 4 weeks, the fires spread around and into the Chernobyl exclusion zone (CEZ) and came within a few kilometers of both the CNPP and radioactive waste storage facilities. Wildfires occurred on several occasions throughout the month of April.

An updated strategic research agenda for the integration of radioecology in the european radiation protection research.

The ALLIANCE Strategic Research Agenda (SRA) for radioecology is a living document that defines a long-term vision (20 years) of the needs for, and implementation of, research in radioecology in Europe. The initial SRA, published in 2012, included consultation with a wide range of stakeholders (Hinton et al., 2013).

Short range order and network connectivity in amorphous AsTe: a first principles, machine learning, and XRD study.

The atomic scale structure of amorphous AsTe is investigated through X-ray diffraction, first-principles molecular dynamics (FPMD), and machine learning interatomic potentials (ML-GAP) obtained by exploiting the ab initio data. We obtain good agreement between the measured and modelled diffraction patterns. Our FPMD results show that As and Te obey the 8-N rule with average coordination numbers of 3 and 2, respectively.

What can gross alpha/beta activities tell about Po and Pb in the atmosphere?

Po and Pb represent the most abundant part of atmospheric aerosol long-lived natural radioactivity. Moreover, Pb-Po monitoring in the atmosphere can be of interest for tracking extreme natural events that can enhance the level of alpha/beta radioactivity in air. In this paper, we question the possibility to use routine gross alpha/beta measurements in order to monitor Po, Pb and Po/Pb ratio in the atmosphere.

Atmospheric modeling and source reconstruction of radioactive ruthenium from an undeclared major release in 2017.

In October 2017 unusual Ru detections across most of Europe prompted the Institut de Radioprotection et de Sûreté Nucléaire (IRSN) to analyze the event in order to locate the origin and identify the magnitude of the release. This paper presents the inverse modeling techniques used during the event to achieve this goal. The method is based on a variational approach and consists of using air concentration measurements with the ldX long-range dispersion model included in the IRSN's C3X operational platform.

Detrimental Effect and Neutralization of Produced Water on Zirconia Nanoparticles Obtained by a Nonaqueous Sol-Gel Method.

In this work, the phase purity and size of zirconia nanocrystals samples were studied in terms of zirconium concentration, added water content, and subsequent use of a post solvothermal treatment. The progressive tetragonal-to-monoclinic transformation of zirconia sample was observed to be strongly related to the water content of the alcoholic medium. But more surprisingly, it has been shown that even under initially anhydrous conditions and for particle size below 5 nm, the phase purity of the samples was deteriorated by a side-reaction of alcohol dehydration catalyzed by the surface of the nanoparticles (NPs).

Airborne concentrations and chemical considerations of radioactive ruthenium from an undeclared major nuclear release in 2017.

In October 2017, most European countries reported unique atmospheric detections of aerosol-bound radioruthenium (Ru). The range of concentrations varied from some tenths of µBq·m to more than 150 mBq·m The widespread detection at such considerable (yet innocuous) levels suggested a considerable release. To compare activity reports of airborne Ru with different sampling periods, concentrations were reconstructed based on the most probable plume presence duration at each location.

ErbB2-driven downregulation of the transcription factor Irf6 in breast epithelial cells is required for their 3D growth.

Background: The ability of solid tumor cells to resist anoikis, apoptosis triggered by cell detachment from the extracellular matrix (ECM), is thought to be critical for 3D tumor growth. ErbB2/Her2 oncoprotein is often overproduced by breast tumor cells and blocks their anoikis by partially understood mechanisms. In our effort to understand them better, we observed that detachment of nonmalignant human breast epithelial cells from the ECM upregulates the transcription factor Irf6.

Raman spectra and structural peculiarities of TeO-TeO mixed oxides.

Raman spectra of the mixed crystalline oxides of the (1  -  x)TeO  +  xTeO (x  =  0, ¼, ½, 1) series were recorded and simulated by using the DFT calculations. Good agreement between observed and calculated Raman spectra makes it possible to establish unambiguous assignment for all prominent Raman lines. This result gives an insight into relations between structural peculiarities and observed spectral features for the crystals promising as nonlinear optical materials.

Potential Source Apportionment and Meteorological Conditions Involved in Airborne I Detections in January/February 2017 in Europe.

Traces of particulate radioactive iodine (I) were detected in the European atmosphere in January/February 2017. Concentrations of this nuclear fission product were very low, ranging 0.1 to 10 μBq m except at one location in western Russia where they reached up to several mBq m.

Local structure and oxide-ion conduction mechanism in apatite-type lanthanum silicates.

The local structure of apatite-type lanthanum silicates of general formula La(SiO)O has been investigated by combining the atomic pair distribution function (PDF) method, conventional X-ray and neutron powder diffraction (NPD) data and density functional theory (DFT) calculations. DFT was used to build structure models with stable positions of excess oxide ions within the conduction channel. Two stable interstitial positions were obtained in accordance with literature, the first one located at the very periphery of the conduction channel, neighbouring the SiO tetrahedral units, and the second one closer to the channel axis.

Empirical calibration of uranium releases in the terrestrial environment of nuclear fuel cycle facilities.

In the present paper the activity of uranium isotopes measured in plants and aerosols taken downwind of the releases of three nuclear fuel settlements was compared between them and with the activity measured at remote sites. An enhancement of U activity as well as U/U anomalies and U are noticeable in wheat, grass, tree leaves and aerosols taken at the edge of nuclear fuel settlements, which show the influence of uranium chronic releases. Further plants taken at the edge of the studied sites and a few published data acquired in the same experimental conditions show that the U activity in plants is influenced by the intensity of the U atmospheric releases.

ErbB2-dependent downregulation of a pro-apoptotic protein Perp is required for oncogenic transformation of breast epithelial cells.

The ability of breast cancer cells to resist anoikis, apoptosis caused by detachment of the non-malignant epithelial cells from the extracellular matrix (ECM), is thought to be critical for breast tumor growth, invasion and metastasis. ErbB2, an oncoprotein that is often overproduced in breast tumors, can block breast cancer cell anoikis via mechanisms that are understood only in part. In an effort to understand them better we found that detachment of the non-malignant human breast epithelial cells from the ECM upregulates a protein Perp in these cells.

The IUR Forum: Worldwide Harmonisation of Networks to Support Integration of Scientific Knowledge and Consensus Development in Radioecology.

During the past decades, many specialised networks have formed to meet specific radioecological objectives, whether regional or sectorial (purpose-oriented). Regional networks deal with an array of radioecological issues related to their territories. Examples include the South Pacific network of radioecologists, and the European network of excellence in radioecology.

Environmental releases from fuel cycle facility: part 1: radionuclide resuspension vs. stack releases on ambient airborne uranium and thorium levels.

Airborne activity levels of uranium and thorium series were measured in the vicinity (1.1 km) of a uranium (UF4) processing plant, located in Malvési, south of France. Regarding its impact on the environment, this facility is characterized by its routine atmospheric releases of uranium and by the emission of radionuclide-labelled particles from a storage pond filled with waste water or that contain dried sludge characterized by traces of plutonium and thorium ((230)Th).

Anoikis of colon carcinoma cells triggered by β-catenin loss can be enhanced by tumor necrosis factor receptor 1 antagonists.

Detachment of non-malignant epithelial cells from the extracellular matrix causes their apoptosis, a phenomenon called anoikis. By contrast, carcinoma cells are anoikis-resistant, and this resistance is thought to be critical for tumor progression. Many oncogenes trigger not only anti- but also pr-apoptotic signals.

Environmental consequences of uranium atmospheric releases from fuel cycle facility: II. The atmospheric deposition of uranium and thorium on plants.

Uranium and thorium isotopes were measured in cypress leaves, wheat grains and lettuce taken in the surroundings of the uranium conversion facility of Malvési (South of France). The comparison of activity levels and activity ratios (namely (238)U/(232)Th and (230)Th/(232)Th) in plants with those in aerosols taken at this site and plants taken far from it shows that aerosols emitted by the nuclear site (uranium releases in the atmosphere by stacks and (230)Th-rich particles emitted from artificial ponds collecting radioactive waste mud) accounts for the high activities recorded in the plant samples close to the site. The atmospheric deposition process onto the plants appears to be the dominant process in plant contamination.

Atomistic simulations of TeO₂-based glasses: interatomic potentials and molecular dynamics.

In this work we present for the first time empirical interatomic potentials that are able to reproduce TeO2-based systems. Using these potentials in classical molecular dynamics simulations, we obtained first results for the pure TeO2 glass structure model. The calculated pair distribution function is in good agreement with the experimental one, which indicates a realistic glass structure model.