Reactions of some 2H-Chromenes and 2H-Thiochromenes with triazolinediones

Simple 2H-chromenes and 2H-thiochromenes form the [2+2]-adducts, tetrahydro[1]benzo(thio)pyrano[3,4-c] [1,2]diazeto[1,2-a][1,2,4]triazoles, with triazolinediones, whereas their 3- and 4-bromo and the corresponding cycloalkylamino derivatives undergo an overall etectrophilic substitution sequence.     

Spot tests for calcium sulphate, lead sulphate, silver, thallium, and formaldehyde based on reactions with selenosulphate

Summary Spot tests have been described for calcium sulphate, lead sulphate, silver, thallium and formaldehyde based on the reaction with selenosulphate. In these reactions either red elemental selenium (CaSO₄, CH₂O) or black metal selenide (PbSO₄ Tl, Ag) is formed. The limits of identification are: 0.2 mg of PbS04 or CaSO₄, 2 g of Ag, 10 g of Tl, 0.2 g of CH₂O.

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Zusammenfassung Für Calciumsulfat, Bleisulfat, Silber, Thallium und Formaldehyd werden Tüpfelproben beschrieben, die auf Umsetzungen mit Selenosulfat beruhen. Hierbei -wird entweder rotes elementares Selen abgeschieden (CaSO₄ CH₂O) oder schwarze Selenide werden gebildet (PbSO₄, Tl, Ag). Die Nachweisgrenzen betragen: 0,2 mg PbSO₄ oder CaSO₄, 2 g Ag, 10 g Tl, 0,2 g CH₂O.

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This paper has been dedicated to Prof. Dr.Fritz Wessely, Vienna, on the occasion of his 70th birthday.     

Determination of triacylglycerol regioisomers using electrospray ionization-quadrupole ion trap mass spectrometry with a kinetic method

The kinetic method was applied to differentiate and quantify mixtures of regioisomeric triacylglycerols (TAGs) by generating and mass selecting alkali ion bound metal dimeric clusters with a TAG chosen as reference (ref) and examining their competitive dissociations in a quadrupole ion trap mass spectrometer. This methodology readily distinguished pairs of regioisomers (AAB/ABA) such as LLO/LOL, OOP/OPO and SSP/SPS and consequently distinguished sn-1/sn-3, sn-2 substituents on the glycerol backbone. The dimeric complex ions [ref, Li, TAG_{(AAB and/or ABA)}]⁺ generated by electrospray ionization mass spectrometry were subjected to collision induced dissociation causing competitive loss of either the neutral TAG reference (ref) leading to [Li(AAB and/or ABA)]⁺ or the neutral TAG molecule (TAG_{(AAB and/or ABA)}) leading to [ref, Li]⁺. The ratio of the two competitive dissociation rates, defined by the product ion branching ratio (R_iso), was related via the kinetic method to the regioisomeric composition of the investigated TAG mixture. In this work, a linear correlation was established between composition of the mixture of each TAG regioisomer and the logarithm of the branching ratio for competitive fragmentation. Depending on the availability of at least one TAG regioisomer as standard, the kinetic method and the standard additions method led to the quantitative analysis of natural TAG mixtures.     

Collisional effects in the tokamap

Plasmas confined in tokamaks with non-symmetric perturbations are surrounded by a chaotic layer of magnetic field lines that guide charged particles to the tokamak wall. We use an analytical two-dimensional symplectic mapping to study the resulting fractal patterns of field line escape. However, particles may experience several collisions before escaping toward the tokamaks wall. We add a random collisional term to the field line mapping to investigate how the particle collisions modify their escape patterns.     

Tokamak magnetic field lines described by simple maps

The magnetic field line structure in a tokamak can be obtained by direct numerical integration of the field line equations. However, this is a lengthy procedure and the analysis of the solution may be very time-consuming. Otherwise we can use simple two-dimensional, area-preserving maps, obtained either by approximations of the magnetic field line equations, or from dynamical considerations. These maps can be quickly iterated, furnishing solutions that mirror the ones obtained from direct numerical integration, and which are useful when long-term studies of field line behavior are necessary (e.g. in diffusion calculations). In this work we focus on a set of simple tokamak maps for which these advantages are specially pronounced.     

First-principles theory of correlated transport through nanojunctions

We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron system. We apply this framework to analyze the effect of short-range interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.     

Global simulation for laser-driven MeV electrons in fast ignition

A comprehensive examination of the interaction of a picosecond-long ignition pulse on high-density (40 times critical density) pellets using a two-dimensional particle-in-cell model is described. The global geometry consists of a 50 mum diameter pellet surrounded by a corona which is isolated by a vacuum region from the boundary. For cone-attached targets, as much as 67% of the incident laser energy is absorbed with 12% sent forward as fast electrons in a 23 degrees cone. The current filaments are driven by the Weibel instability of the forward-going fast electron flux and its return current with the ions playing an important role of neutralizing the space charge. No global current filament coalescence has been observed. The electron distribution function obeys a power law, which begins at E approximately 0.2 MeV and falls off as E-(2-3).     

Chemical Kinetics Database and Predictive Schemes for Humid Air Plasma Chemistry. Part I: Positive Ion–Molecule Reactions

Reliable kinetic and thermodynamic data are required to model the evolution of electric discharge or electron-beam decomposition chemistry of gases in humid air streams. In this first segment of a continuing series, we provide a core database describing the initially dominant ion-neutral molecule reactions in humid air plasmas. Recommended reaction rate data and extrapolation tools are presented in a manner to facilitate prediction of reactivities and reaction channels as a function of temperature, pressure, and applied electric field.