Exhaled breath condensate: Determination of non-volatile compounds and their potential for clinical diagnosis and monitoring. A review

Exhaled breath condensate is a promising, non-invasive, diagnostic sample obtained by condensation of exhaled breath. Starting from a historical perspective of early attempts of breath testing towards the contemporary state-of-the-art breath analysis, this review article focuses mainly on the progress in determination of non-volatile compounds in exhaled breath condensate. The mechanisms by which the aerosols/droplets of non-volatile compounds are formed in the airways are discussed with methodological consequences for sampling. Dilution of respiratory droplets is a major problem for correct clinical interpretation of the measured data and there is an urgent need for standardization of EBC. This applies also for collection instrumentation and therefore various commercial and in-house built devices are described and compared with regard to their design, function and collection parameters. The analytical techniques and methods for determination of non-volatile compounds as potential markers of oxidative stress and lung inflammation are scrutinized with an emphasis on method suitability, sensitivity and appropriateness. The relevance of clinical findings for each group of possible non-volatile markers of selected pulmonary diseases and methodological recommendations with emphasis on interdisciplinary collaboration that is essential for future development into a fully validated clinical diagnostic tool are given.     

Fictitious domain methods for two‐phase flow energy balance computations in nuclear components

This paper is dedicated to the numerical simulation of nuclear components (cores and steam generators) by fictitious domain methods. The fictitious domain approach consists in immersing the physical domain under study in a Cartesian domain, called the fictitious domain, and in performing the numerical resolution on this fictitious domain. The calculation times are then efficiently reduced by the use of fast solvers. In counterpart, one has to handle with an immersed boundary, generally non‐aligned with the Cartesian mesh, which can be non‐trivial. The two fictitious domain methods compared here on industrial simulations and developed by Ramière et al. deal with an approximate immersed interface directly derived from the uniform Cartesian mesh. All the usual immersed boundary conditions (Dirichlet, Robin, Neumann), possibly mixed, are handled through a unique formulation of the fictitious problem. This kind of approximation leads to first‐order methods in space that exhibit a good ratio of the precision of the approximate solution over the CPU time, which is very important for industrial simulations. After a brief recall of the fictitious domain method with spread interface (Ramière et al., CMAME 2007) and the fictitious domain method with immersed jumps (Ramière et al., JCP 2008), we will focus on the numerical results provided by these methods applied to the energy balance equation in a steam generator. The advantages and drawbacks of each method will be pointed out. Generally speaking, the two methods confirm their very good efficiency in terms of precision, convergence, and calculation time in an industrial context. Copyright © 2011 John Wiley & Sons, Ltd.     

基于咔唑-靛红双-硫代碳酰腙衍生物的NMR研究

采用多种核磁共振（NMR）技术（包括¹H NMR、¹³C NMR、¹H-¹H COSY、¹H-¹³C HSQC、¹H-¹³C HMBC），对基于咔唑-靛红双-硫代碳酰腙新型衍生物2，即1-[（3Z）-2-氧代吲哚-3-亚基]-5-[（9-己基-3-咔唑基）亚基]硫代碳酰腙的¹H和¹³C NMR信号进行了全归属，确定了其结构．     

Binary collision simulations of ion transmission through silicon single crystal films

Abstract

Computer simulation studies of the energy distribution of transmitted ions such as alpha-particles, He-, and B-ions through crystalline silicon, using the enhanced binary-collision cascade simulator MARLOWE, will be reviewed. The enhancement includes an additional electronic-energy loss (EEL) model which takes into account explicitly both the target electron density variation via the structure factors and the electron density of the projectile. Investigations of the stopping power for He ions and protons in silicon, at intermediate- and high-energies, based on the adapted EEL model and a velocity-dependent effective charge will be presented. The overall agreement between the calculated and experimentally determined stopping power data and the simulated and measured transmission spectra will be demonstrated. Effects of energy-loss straggling, core-electron contribution to the energy loss at high-energies and charge-state effects at low energies on the transmission spectra will also be discussed.     

Reinvestigation of the ν2 + 2ν3 subband in the overtone icosad of 12CH4 using cavity ring-down (CRD) spectroscopy of a supersonic jet expansion

We report a detailed reinvestigation of the ν₂?+?2ν₃ combination band of methane ¹²CH₄ centred at (7510.3378?±?0.003)?cm^?1 ((225.154263?±?0.0001)?THz) within the icosad of the overtone absorption. A new experimental setup is described, allowing us to carry out cw-laser cavity ring-down spectroscopy (cw-CRDS) at instrumental resolution in the MHz range in seeded supersonic jet expansions down to rotational temperature of 7?K compared to previous cw-CRDS measurements in our group achieving about 50?K in expansions of neat CH₄. We provide a careful re-analysis on the basis of our new experimental results for the Q and R branch transitions including data obtained between about 7 and 300?K under various conditions. We resolve previously observed discrepancies of assignments and are able to present a definitive assignment for lines involving angular momentum quantum numbers up to J?=?4. The analysis of relative intensities in spectra taken at rotational and effective translational temperatures between about 50?K and less than 10?K indicate conservation of nuclear spin symmetry upon supersonic jet expansion, in agreement with previous results using other techniques and covering other spectral ranges.     

10 Jahre Ständige Kommission des RGW für die friedliche Anwendung der Atomenergie

0. Einleitwng

1. Reaktorwissenschaft und -technik und Kernenergetik

2. Kerntechnischer Gerätebau

3. Produktion von Isotopenerzeugnissen

4. Strahlenschulz und Schutztechnik

5. Isotopenanwendung

6. Strahlentechnik

7. Zur weiteren Tätigkeit der Ständigen Kommission Atomenergie des RGW     

Reaktion von Pyridin-2-Carbonsäure Mit Tetrabutylammonium-Tetrachloro-Nitridotechnetat(VI) Sowie Tetrabutylammonium-Tetrachlorooxotechnetat (V)

Abstract

The reaction of 2-pyridine carboxylic acid (Hpic) with (n-Bu₄N)[TcNCl₄] and (n-Bu₄N)[TcOCl₄] in ethanol and methanol, respectively, yields the dinuclear μ-oxo complex [(pic)₂NTc-O-TcN(pic)(Hpic)Cl] and the monomeric complex [TcO(pic)₂Cl].

Visible and infrared spectroscopy, ESR, ¹H-NMR and ⁹⁹Tc-NMR have been used to characterize the new compounds. The most important field of application for the new compounds synthesized is radiodiagnostics.