GC-MS Study of Mono- and Bishaloethylphosphonates Related to Schedule 2.B.04 of the Chemical Weapons Convention: The Discovery of a New Intramolecular Halogen Transfer

A new class of compounds, mono- and bis-haloethylphosphonates (HAPs and bisHAPs, respectively), listed in Schedule 2.B.04 of the Chemical Weapons Convention (CWC), has been synthesized and studied by GC-MS with two aims. First, to improve the identification of this type of chemicals by the Organization for the Prohibition of Chemical Weapons, (OPCW). Second, to study the synergistic effect of halogen and silicon atoms in molecules undergoing mass spectrometry. Fragmentation patterns of trimethylsilyl derivatives of HAPs were found to depend on the nature of the halogen atom; this was in agreement with DFT-calculations. The data suggest that a novel intramolecular halogen transfer takes place during the fragmentation process.

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Probing structural integrity of single walled carbon nanotubes by dynamic and static compression

We report on a first study of single walled carbon nanotubes (SWCNTs) after application of dynamic (shock) compression. The experiments were conducted at 19 GPa and 36 GPa in a recovery assembly. For comparison, an experiment at a static pressure of 36 GPa was performed on the material from the same batch in a diamond anvil cell (DAC). After the high pressure treatment the samples were characterized by Raman spectroscopy and transmission electron microscopy (TEM). After exposure to 19 GPa of shock compression the CNT material exhibited substantial structural damage such as CNT wall disruption, opening of the tube along its axis (“unzipping”) and tube shortening (“cutting”). Dynamic compression to 36 GPa resulted in essentially complete CNT destruction whereas at least a fraction of the nanotubes was recovered after 36 GPa of static compression though severely damaged. The results of these shock wave experiments underline the prospect of using SWCNTs as reinforcing units in material WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

A discussion on the origin of quantum probabilities

We study the origin of quantum probabilities as arising from non-Boolean propositional-operational structures. We apply the method developed by Cox to non distributive lattices and develop an alternative formulation of non-Kolmogorovian probability measures for quantum mechanics. By generalizing the method presented in previous works, we outline a general framework for the deduction of probabilities in general propositional structures represented by lattices (including the non-distributive case).     

Benchmarking and validation of a Geant4–SHADOW Monte Carlo simulation for dose calculations in microbeam radiation therapy

Microbeam radiation therapy (MRT) is a synchrotron‐based radiotherapy modality that uses high‐intensity beams of spatially fractionated radiation to treat tumours. The rapid evolution of MRT towards clinical trials demands accurate treatment planning systems (TPS), as well as independent tools for the verification of TPS calculated dose distributions in order to ensure patient safety and treatment efficacy. Monte Carlo computer simulation represents the most accurate method of dose calculation in patient geometries and is best suited for the purpose of TPS verification. A Monte Carlo model of the ID17 biomedical beamline at the European Synchrotron Radiation Facility has been developed, including recent modifications, using the Geant4 Monte Carlo toolkit interfaced with the SHADOW X‐ray optics and ray‐tracing libraries. The code was benchmarked by simulating dose profiles in water‐equivalent phantoms subject to irradiation by broad‐beam (without spatial fractionation) and microbeam (with spatial fractionation) fields, and comparing against those calculated with a previous model of the beamline developed using the PENELOPE code. Validation against additional experimental dose profiles in water‐equivalent phantoms subject to broad‐beam irradiation was also performed. Good agreement between codes was observed, with the exception of out‐of‐field doses and toward the field edge for larger field sizes. Microbeam results showed good agreement between both codes and experimental results within uncertainties. Results of the experimental validation showed agreement for different beamline configurations. The asymmetry in the out‐of‐field dose profiles due to polarization effects was also investigated, yielding important information for the treatment planning process in MRT. This work represents an important step in the development of a Monte Carlo‐based independent verification tool for treatment planning in MRT.     

Switchable magnetic bottles and field gradients for particle traps

Versatile methods for the manipulation of individual quantum systems, such as confined particles, have become central elements in current developments in precision spectroscopy, frequency standards, quantum information processing, quantum simulation, and alike. For atomic and some subatomic particles, both neutral and charged, a precise control of magnetic fields is essential. In this paper, we discuss possibilities for the creation of specific magnetic field configurations which find application in these areas. In particular, we pursue the idea of a magnetic bottle which can be switched on and off by transition between the normal and the superconducting phase of a suitable material in cryogenic environments, for example, in trap experiments in moderate magnetic fields. Methods for a fine-tuning of the magnetic field and its linear and quadratic components in a trap are presented together with possible applications.     

Simultaneous EEG-fMRI acquisition: how far is it from being a standardized technique?

Simultaneous EEG–fMRI is a powerful tool to study spontaneous and evoked brain activity because of the complementary advantages of the two techniques in terms of temporal and spatial resolution. In recent years, a significant number of scientific works have been published on this subject. However, many technical problems related to the intrinsic incompatibility of EEG and MRI methods are still not fully solved. Furthermore, simultaneous acquisition of EEG and event-related fMRI requires precise synchronization of all devices involved in the experimental setup. Thus, timing issue must be carefully considered in order to avoid significant methodological errors.

The aim of the present work is to highlight and discuss some of technical and methodological open issues associated with the combined use of EEG and fMRI. These issues are presented in the context of preliminary data regarding simultaneous acquisition of event-related evoked potentials and BOLD images during a visual odd-ball paradigm.     

Determination of Chlorinated Solvent Sorption by Porous Material—Application to Trichloroethene Vapor on Cement Mortar

Experiments have been performed to investigate the sorption of trichloroethene (TCE) vapor by concrete material or, more specifically, the cement mortar component. Gas-flow experiments were conducted using columns packed with small pieces of cement mortar obtained from the grinding of typical concrete material. Transport and retardation of TCE at high vapor concentrations (500 mg L \(^{-1})\) was compared to that of a non-reactive gas tracer (Sulfur Hexafluoride, SF \(_{6})\) . The results show a large magnitude of retardation (retardation factor \(=\) 23) and sorption (sorption coefficient \(=\) 10.6 cm \(^{3}\)  g \(^{-1})\) for TCE, compared to negligible sorption for SF \(_{6}\) . This magnitude of sorption obtained with pollutant vapor is much bigger than the one obtained for aqueous-flow experiments conducted for water-saturated systems. The considerable sorption exhibited for TCE under vapor-flow conditions is attributed to some combination of accumulation at the air-water interface and vapor-phase adsorption, both of which are anticipated to be significant for this system given the large surface area associated with the cement mortar. Transport of both SF \(_{6}\) and TCE was simulated successfully with a two-region physical non-equilibrium model, consistent with the dual-medium structure of the crushed cement mortar. This work emphasizes the importance of taking into account sorption phenomena when modeling transport of volatile organic compounds through concrete material, especially in regard to assessing vapor intrusion.     

Direct Numerical Simulation of an Accelerating Channel Flow

Direct Numerical Simulation of a linearly accelerating channel flow starting from an initially statistically steady turbulent flow has been performed. It is shown that the response of the accelerating flow is fundamentally the same as that of the step-change transient flow described in He and Seddighi (J Fluid Mech 715:60–102, 2013). The flow structure again behaves like a boundary layer bypass transition undergoing three distinct phases, namely, (i) initially (pre-transition), the flow is laminar-like and the pre-existing turbulent structures are modulated resulting in elongated streaks leading to a strong and continuous increase in the streamwise fluctuating velocity but little changes in the other two components; (ii) it then undergoes transition when isolated turbulent spots are generated which spread and merge with each other, and (iii) they eventually cover the entire surface of the wall when the flow is fully turbulent. The similarity between the turbulence responses in the two flows is significant noting the contrasting features of the two types of mean flow unsteadiness: in the step-change flow, a sharp boundary layer is resulted in nearly instantly on the wall which closely resembles the spatially developing boundary layer, whereas the linear flow acceleration causes a continuing change of velocity gradient adjacent to the wall which propagates into the flow field with time, resulting in a gradually-developing boundary layer. There are, however, quantitative differences in the detailed behavior of the two flows and especially the transition is much delayed in the accelerating flow. It is also shown that the late pre-transition and early transition stages in both flows are characterised by significantly increased inwards sweep events in the wall region and ejection events in the outer layer. The flatness of the wall-normal velocity increases markedly near the wall around the time of onset of transition as a consequence of the huge intermittency of the velocity fluctuations. That is, there are long periods of quiescent flow coupled with occasional turbulent bursts.     

Effect of magnetic field orientation on fluidized beds of magnetic particles： Theory and experiment

Geldart-A fluidized beds of fine particles experience a jamming transition between a fluid-like state and a solid-like state at a certain superficial gas velocity, that depends on the relative strength of interparticle attractive forces with respect to particle weight, lnterparticle forces provide the bed with a certain tensile strength in the jammed state. In the work presented here we analyze the behavior of a fluidized bed of magnetic particles subjected to an externally applied magnetic field, which contributes to enhance interparticle forces. The importance of the magnetic contribution to interparticle forces is measured by the changes in the tensile strength and the superficial gas velocity at the jamming transition. The link of the field orientation with the microstructure of the bed is discussed,     

Preliminary thermodynamic study for an efficient turbo-blower external combustion Rankine cycle

This research paper presents a preliminary thermodynamic study of an innovative power plant operating under a Rankine cycle fed by an external combustion system with turbo-blower (TB). The power plant comprises an external combustion system for natural gas, where the combustion gases yield their thermal energy, through a heat exchanger, to a carbon dioxide Rankine cycle operating under supercritical conditions and with quasi-critical condensation. The TB exploits the energy from the pressurised exhaust gases for compressing the combustion air. The study is focused on the comparison of the combustion system’s conventional technology with that of the proposed. An energy analysis is carried out and the effect of the flue gas pressure on the efficiency and on the heat transfer in the heat exchanger is studied. The coupling of the TB results in an increase in efficiency and of the convection coefficient of the flue gas with pressure, favouring a reduced volume of the heat exchanger. The proposed innovative system achieves increases in efficiency of around 12 % as well as a decrease in the heat exchanger volume of 3/5 compared with the conventional technology without TB.