On the inclusion of collisional correlations in quantum dynamics

We present a formalism to describe collisional correlations responsible for thermalization effects in finite quantum systems. The approach consists in a stochastic extension of time dependent mean field theory. Correlations are treated in time dependent perturbation theory and loss of coherence is assumed at some time intervals allowing a stochastic reduction of the correlated dynamics in terms of a stochastic ensemble of time dependent mean-fields. This theory was formulated long ago in terms of density matrices but never applied in practical cases because of its complexity. We propose here a reformulation of the theory in terms of wave functions and use a simplified 1D model of cluster and molecules allowing to test the theory in a schematic but realistic manner. We illustrate the performance in terms of several observables, in particular global moments of the density matrix and single particle entropy built on occupation numbers. The occupation numbers remain fixed in time dependent mean-field propagation and change when evaluating the correlations, then taking fractional values. They converge asymptotically towards Fermi distributions which is a clear indication of thermalization.     

Stereoselective synthesis of erythro-β-chloroamines and their conversion into functionalized trans-oxazolidin-2-ones

New erythro-β-chloroamines were synthesized by a mild and efficient stereoselective chlorination of unprotected amino alcohol diesters. These products are shown to be excellent building blocks for the synthesis of new substituted trans-oxazolidin-2-ones.     

Removal of methoxyethoxymethyl ethers with trimethylsilyl chloride-sodium iodide

Trimethylsilyl chloride-sodium iodide has been used for the mild removal of methoxyethoxymethyl ethers.     

On the combination of kernel principal component analysis and neural networks for process indirect control

ABSTRACT

A new adaptive kernel principal component analysis (KPCA) for non-linear discrete system control is proposed. The proposed approach can be treated as a new proposition for data pre-processing techniques. Indeed, the input vector of neural network controller is pre-processed by the KPCA method. Then, the obtained reduced neural network controller is applied in the indirect adaptive control. The influence of the input data pre-processing on the accuracy of neural network controller results is discussed by using numerical examples of the cases of time-varying parameters of single-input single-output non-linear discrete system and multi-input multi-output system. It is concluded that, using the KPCA method, a significant reduction in the control error and the identification error is obtained. The lowest mean squared error and mean absolute error are shown that the KPCA neural network with the sigmoid kernel function is the best.     

Distribution of trenbolone residues in liver and various muscle groups of heifers that received multiple implants at the recommended site of application

Twenty heifers which were each administered 3 or 4 implants containing trenbolone acetate were slaughtered at 30 days post-implantation. Liquid chromatographic analyses were conducted on muscle collected from the rump, loin, shoulder, and neck, and on the liver of each animal. Residues present in liver were primarily 17alpha-trenbolone, and the residues found in the various muscle samples were primarily 17beta-trenbolone. The mean concentration of 17alpha-trenbolone in liver was 4.3 +/- 2.3 ng/g; the mean concentration of 17beta-trenbolone in muscle tissues was < 0.4 ng/g. There was a small but statistically significant effect of the number of implants used on the mean concentration of residues in loin muscles; animals with 3 trenbolone implants had higher mean residue concentrations than animals with 4 trenbolone implants. This suggests that, though the impact of implant numbers on the mean concentration of residues in muscle tissues is negligible relative to currently generally accepted maximum residue levels, mechanisms may exist for selective distribution and retention of residues within different muscle groups.     

Towards surface quantum optics with Bose–Einstein condensates in evanescent waves

We present a surface trap which enables the study of coherent interactions between ultracold atoms and evanescent waves. The trap combines a magnetic Joffe trap with a repulsive evanescent dipole potential. Exploiting the advantages of both approaches this technique improves recent surfaces traps, which are based either on magnetic or optical traps alone. On the one hand, the position of the magnetic trap can be controlled with high precision which makes it possible to move ultracold atoms to the surface of a glass prism or to withdraw the atoms from the surface in a controlled way. On the other hand, the optical potential of the evanescent wave partially compensates for strong attractive surface forces and generates a potential barrier at only a few hundred nanometers from the surface. This barrier prevents the surface potentials from limiting the trap depth of the magnetic trap. The surface trap is probed with ⁸⁷Rb Bose–Einstein condensates (BECs), which are stably positioned at distances from the surfaces below one micrometer.     

Modeling and measurements of size distributions in premixed ethylene and benzene flames

This study demonstrates the major differences in the evolution of the particle size distributions (PSDs), both measured and modeled, of soot in premixed benzene and ethylene flat flames. In the experiments, soot concentration and PSDs were measured by using a scanning mobility particle sizer (SMPS, over the size range of 3-80 nm). The model employed calculations of gas phase species coupled with a discrete sectional approach for the gas-to-particle conversion. The model includes reaction pathways leading to the formation of nano-sized particles and their coagulation to larger soot particles. The particle size distribution, both experimental and modeled, evolved from a single particle mode (the nucleation mode) to a bimodal size distribution. An important distinction between the results for the ethylene and benzene flames is the behavior of the nucleation mode which persists at all heights above the burner (HAB) for ethylene whereas it was greatly suppressed at greater HAB for the benzene flames. The explanation for the decreased nucleation mode at higher elevations in the benzene flame is that the aromatics are consumed in the oxidation zone of the flame. Fair predictions of particle-phase concentrations and particle sizes in the two flames were obtained with no adjustments to the kinetic scheme. In agreement with experimental data, the model predicts a higher formation of particulate in the benzene flame as compared with the ethylene flame.     

Papierchromatographische Trennung des Galliums von Eisen,Titan und Aluminium und seine fluorometrische Bestimmung mit 5,7-Dibrom-8-hydroxychinolin

Zusammenfassung Mit dem Lösungsmittelgemisch Butanol-Eisessig-Acetessigester-Wasser gelang nach einer Laufzeit von 40 Stunden eine vollkommene Trennung des Galliums von der mehrfachen Menge Eisen, Aluminium und Titan. Die anschließend versuchte quantitative Bestimmung des Galliums stieß auf Schwierigkeiten, da das verwendete Chromatographierpapier Spuren von Eisen und Kupfer enthielt. Daher wurde die fluorometrische Bestimmungsmethode für Gallium mit 5,7-Dibrom-8-hydroxychinolin so umgestaltet, daß die Bestimmung des Galliums auch in Gegenwart kleiner Eisen- und Kupfermengen möglich ist. Schließlich wird ein Analysengang für die Galliumbestimmung in Lösungen angegeben, die die tausendfache Menge an Eisen und Aluminium enthalten.

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Summary Complete separation of gallium from several times as much iron, aluminium, and titanium was obtained by treating the mixture with a mixed solvent, made up of butanol, glacial acetic acid, acetic ester, water, for 40 hours. The subsequent attempts to make a quantitative determination of the gallium encountered difficulties because the chromatographing paper used contained traces of iron and copper. Accordingly, the fluorometric method for determining gallium with 5,7-dibromo-8-hydroxyquinoline was modified in such manner that gallium could be determined even when small quantities of iron and copper are present. Finally, a scheme is given for determining gallium in solutions, which contain a thousand times the quantity of iron and aluminium.

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Résumé Il a été possible d'effectuer en 40 heures une séparation complète du gallium de quantités plusieurs fois supérieures de fer, d'aluminium et de titane à l'aide d'un mélange de solvants butanol-acide acétique-ester acetylacétique-eau. Les essais de dosage consécutif du gallium se sont heurtés à des difficultés résultant du fait que le papier employé pour la chromatographie contenait des traces de fer et de cuivre. En conséquence on a modifié la méthode de dosage fluorométrique du gallium à l'aide de la 5,7-dibromo-8-hydroxyquinoléine pour permettre son application en présence de petites quantités de fer et de cuivre. En définitive, on donne un protocole de dosage du gallium dans des solutions qui contiennent des quantités de fer et d'aluminium mille fois supérieures.

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Herrn Prof. Dr.Robert Strebinger zum 70. Geburtstag gewidmet.     

Über die quantitative Extrahierbarkeit des Germaniumtetrabromids mit Äther

Zusammenfassung Da ein früher angewandter Analysengang für kleine Mengen Germanium (ausgenommen bei Verwendung eines radioaktiven Germaniumisotops) nicht quantitativ verläuft, wurde eine neue Methode zur Abtrennung des Germaniums ausgearbeitet. Sie beruht auf der kontinuierlichen Extraktion des Germaniumtetrabromids aus 6-n Bromwasserstoffsäure mit Äther, aus dem das Germaniumtetrabromid sodann mit Wasser ausgezogen und photometrisch mit Phenylfluoron bestimmt wird. Diese Methode wurde mit Erfolg auf eine Zinkblende, deren Germaniumgehalt auf Grund der radioaktiven Messung 0,037% Ge betrug, angewendet, wobei im Mittel 0,036% Ge gefunden wurden.

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Summary Since a previously used analytical procedure for small amounts of germanium (except when a radioactive isotope of germanium was employed) does not proceed quantitatively, a new method was worked out for isolating the germanium. It is based on the continuous extraction of germanium tetrabromide from 6N hydrobromic acid with ether, from which the germanium tetrabromide can then be extracted with water and determined photometrically whith phenylfluorone. This method was applied successfully to a zinc blende, whose germanium content was 0.037% (as determined by radioactive measurement). An average of 0.036% germanium was found.

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Résumé La méthode analytique exposée antérieurement ne permet pas la détermination quantitative de petites quantités de germanium (sauf lorsqu'on emploie un isotope radioactif de ce métal). On a mis au point une méthode nouvelle pour isoler ce métal. Elle est basée sur l'extraction continue, par l'éther, du tétrabromure de germanium de l'acide bromhydrique 6 N; on extrait ensuite le tétrabromure de l'éther par l'eau et détermine le métal photométriquement par la phénylfluorone. Cette méthode a été appliquée avec succès àla blende (ZnS) contenant 0,037% de germanium (déterminé par mesure radioactive). On a trouvé un taux moyen de 0,036%.

     

Temperature and Solute Molecular Size Effects on the Retention and Enantioselectivity of a Series of D, L Dansyl Amino Acids on a Vancomycin-Based Chiral Stationary Phase

Summary The influence of column temperature (0–28 °C) and solute molecular size on the retention and enantioselectivity of a series of D, L dansyl amino acids with a non-polar side chain (valine, leucine, phenylalanine and tryptophan) were investigated using a vancomycin-based chiral stationary phase (CSP). The enthalpic and entropic terms for the solute-CSP association were determined from the linear vant Hoff plots. Two solute groups were distinguished in relation to these thermodynamic quantities: the solute group I (dansyl valine, dansyl leucine, dansyl phenylalanine) for which large negative values of enthalpic terms were obtained and the solute group II (dansyl tryptophan) for which H value was much less negative. The enthalpy-entropy compensation study revealed that the interaction mechanism was identical for the group I solute enantiomers but changed for D, L dansyl tryptophan. This was further exemplified as the group I compound enantiomers were resolved over the temperature range while the enantiomers of dansyl tryptophan were not separated in the operating conditions. Relationships between both the solute retention factors and apparent enantioselectivity, and the accessible surface area of the amino acid side chain indicated that when the solute molecular size increased (i) the retention was enhanced by the hydrophobic effect and (ii) the chiral discrimination decreased dependent, at least in part, on a steric hindrance phenomenon at the vancomycin aglycone pocket.