Entfernung k?rpereigener Substanzen aus Harnproben an Extrelut? zur gas-chromatographischen Analyse saurer und neutraler Arzneistoffe

Zusammenfassung Zum gas-chromatographischen Nachweis saurer und neutraler Arzneistoffe wurden Harnproben bei pH 6 an Extrelut^® (Merck) mit Diäthyläther extrahiert. Die Wiederfindungsraten der meisten untersuchten Arzneistoffe liegen im gleichen Bereich wie bei der üblichen Flüssig-Flüssig-Extraktion im stärker sauren Milieu. Jedoch verbleiben endogene Carbonsäuren, welche die Auswertung der Chromatogramme erschweren, in der wäßrigen Phase.

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Removal of endogenous compounds from urine samples with extrelut^® for the gas-chromatographic identification of acid and neutral drugs

Summary Samples of urine at pH 6 were extracted with diethyl ether from Extrelut^® (Merck) columns for the gas-chromatographic identification of acidic and neutral drugs. The recovery rates for most of the investigated substances were similar to those of usual liquid-liquid extraction from strongly acidic media. Endogenous carboxylic acids however, which would otherwise interfere in the chromatogram, remained in the aqueous phase.

Teil der geplanten Dissertation, Universität Münster     

Mehrwellenl?ngenuntersuchungen in Titrationssystemen (VIS-UV)

Ohne Zusammenfassung

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Multiwavelength analysis of titration systems (VIS-UV)

     

Successive substitution titration of calcium and magnesium with EGTA using thallium oxide electrode for indication

Summary It is demonstrated that magnesium can be titrated with EGTA in the presence of CaEDTA complex. On the basis of this substitution reaction, calcium and magnesium are successively titrated with EGTA, if an appropriate amount of CaEDTA is added after having reached the end point for calcium. Both end points are indicated amperometrically using a thallium oxide anode. The method has been tested for analysis of tap and mineral water. Larger amounts of manganese(II) render the calcium result too high. Moreover, the indication of both end points is affected by the electrode position of an inactive MnO₂-layer onto the Tl₂O₃-layer. Reducing agents destroy the Tl₂O₃-layer. These interferences can be overcome by addition of an appropriate amount of manganate(VII) to the sample.

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Sukzessive Substitutionstitration von Calcium und Magnesium mit ÄGTA, indiziert mit der Thalliumoxidelektrode

Zusammenfassung Magnesium kann mit ÄGTA in Gegenwart des CaÄDTA-Komplexes titriert werden. Auf der Grundlage dieser Substitutionstitration können Calcium und Magnesium nacheinander mit ÄGTA titriert werden, wenn nach dem Endpunkt für Calcium eine ausreichende Menge CaÄDTA zugesetzt wird. Beide Endpunkte werden amperometrisch mit Hilfe einer Thalliumoxidelektrode angezeigt. Die Methode wurde an Leitungswasser und Mineralwasser geprüft. Größere Mengen Mangan(II) bewirken zu hohe Calciumwerte. Darüber hinaus wird die Indikation beider Endpunkte dadurch beeinträchtigt, daß sich eine inaktive MnO₂-Schicht auf der Tl₂O₃-Schicht elektrolytisch abscheidet. Reduzierende Stoffe zerstören die Tl₂O₃-Schicht. Diese Störungen können durch Zugabe von Permanganat vermieden werden.

     

Delocalization corrections to the strictly localized molecular orbitals: A linearized SCF approximation

An explicit formula is derived for calculating the delocalization corrections (tails) to be added to the strictly localized bond orbitals. It was obtained by solving analytically the SCF problem for the interbond interactions in a linearized approximation. The model calculations at the CNDO/2 level show that this simple approach is sufficient to account for the molecular conformations.     

Calculation of Vertical Ionization Potentials of Oxygen Difluoride,Difluoramine, and Difluoromethane by Local Density Approximation

The vertical ionization potentials of OF₂, HNF₂, and CH₂F₂ were computed by the deMon density functional program. The results are compared with earlier calculations and with experiment. The average absolute deviation of the 21 computed ionization potentials of the outer valence electrons from experiment is 0.44 eV, which compares well with 0.37 eV for frozen-orbital configuration-interaction calculations. Although this performance is not as good as perturbation corrections to Koopmans' theorem, the computation requirements are much less demanding.     

FOURIER-CHEBYSHEV PSEUDOSPECTRAL METHOD FOR THREE-DIMENSIONAL VORTICITY EQUATION WITH UNILATERALLY PERIODIC BOUNDARY CONDITION

A Fourier-Chebyshev pseudospectral scheme is proposed for three-dimensionalvorticily equation with unilaterally periodic boundary condition. The generalized stability and convergence are analysed. The numerical results are presented.     

Computation of direct intensity and medium intensity by using the discrete ordinates method

On the basis of the discrete ordinate scheme with (an) infinitely small weight(s), an easy-to-use and comprehensive method, named multi-rays method, is developed to calculate total, direct and medium intensities in arbitrarily specified directions. In doing this, for each of the specified directions, three identical discrete directions with infinitely small weights are employed to represent the three intensities. The new method is verified with two standard test problems, and is used to compute the intensities in two anisotropically scattering problems.     

Semiclassical approximation for relativistic potentials

We consider the application of semiclassical approximation to relativistic potentials for massless particles where the kinetic energy is a nontrivial, nonlocal operator. Quantization rules are derived for an arbitrary confining potential and compared to some exact results forS-waves. These results admit of a partial generalization to smalll values.