Studies on the solvent extraction of yttrium thenoyltrifluoroacetonate

Studies of extractions of yttrium from aqueous solution into chloroform, benzene, methyl isobutyl ketone, and mixtures of these solvents, containing thenoyltrifluoroacetone are described. The effects of reagent concentration, added n-butylamine, and added fluoride were investigated. Values of pH$\text{1}\text{2}$ and P_e were determined, and identifications of the involved species are suggested.     

Application of parallel processing techniques to improving the efficiency of MM2 molecular mechanics calculations

The application of parallel processing techniques to molecular mechanics calculations is evaluated. Using the standard molecular mechanics package, MM2, four different parallel versions of the program are implemented in a four-processor computing environment. A set of 529 test structures is used to compare the efficiency of the parallel versions of MM2 to a standard serial version of the program. Statistics describing execution times and program execution cycles are gathered and analyzed. The effects of parallel processing overhead and computer system load are explored, and the practical utility of parallel processing in molecular mechanics is estimated. The results of these parallelization experiments indicate that for geometry optimizations requiring significant amounts of computing time an improvement in program execution speed approaching 50% is realizable. © 1993 John Wiley & Sons, Inc.     

Iterative bounds on the relative value vector in undiscounted Markov renewal programming

The functional equations of Markov renewal programming with a scalar again rateg are v=max [q (f)–gT (f)+P(f) v;f A] whereA is the Cartesian product set of allowed policies. When there functional equations are solved iteratively, convergent upper and lower bounds on the gain rateg were given by the author in J. Math. Anal. Appl. 34, 1971, 495–501. In this paper, an augmented iterative scheme is exhibited which supplies convergent upper and lower bounds on the value vector v as well.

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Zusammenfassung Die Funktionalgleichungen für undiskontierte Markoffsche Erneuerungsprogramme mit skalarem Durschnittsgewinng lauten v=max [q (f)–gT (f)+P (f)v;f A] wobeiA die Menge der zulässigen Politiken ist. Konvergierende obere und untere Schranken für den Durchschnittsgewinn wurden vom Autor in J. Math. Anal. Appl. 34, 1971, 495–501 hergeleitet. In dieser Arbeit wird ein verbessertes iteratives Verfahren vorgestellt, das auch konvergierende obere und untere Schranken für den relativen Gewinn liefert.

     

Complexing effects in the solvent extraction of thallium(I) 2-mercaptobenzothiazole

Studies of the extraction of thallum(l) from aqueous solution in the absence and presence of aqueous complexing agents into chloroform containing 2-mercaptobenzothiazole are described. Fluoride, chloride, bromide, iodide, thiocyanair, cyanide, and sulfate were employed as aqueous complexing agents. A number of the participating species were identified and association constants are estimated.     

Electro-optic scattering from nitrocellulose solutions

Measurements have been made of the light intensity scattered from dilute solutions of a sample of nitrocellulose ($\text{M}{}_{\mathrm{w}}\text{= 460,000}$) in acetone, both in the absence and presence of a.c. and d.c. electric fields. In an earlier study, owing to a mathematical slip and a false interpretation of an experimental parameter, other workers [5] interpreted similar measurements in terms of a freely rotating polar chain model. It is shown herein that this cannot be so and that the molecules of nitrocellulose of this order of molecular weight and in this type of solvent are better regarded as extremely stiff and extended.     

Expanding the hydride chemistry: antiperovskites A3MO4H (A = Rb,Cs; M = Mo,W) introducing the transition oxometalate hydrides

The four compounds A₃MO₄H (A = Rb, Cs; M = Mo, W) are introduced as the first members of the new material class of the transition oxometalate hydrides. The compounds are accessible via a thermal synthesis route with carefully controlled conditions. Their crystal structures were solved by neutron diffraction of the deuterated analogues. Rb₃MoO₄D, Cs₃MoO₄D and Cs₃WO₄D crystallize in the antiperovskite-like K₃SO₄F-structure type, while Rb₃WO₄D adopts a different orthorhombic structure. ²H MAS NMR, Raman spectroscopy and elemental analysis prove the abundance of hydride ions next to oxometalate ions and experimental findings are supported by quantum chemical calculations. The tetragonal phases are direct and wide band gap semiconductors arising from hydride states, whereas Rb₃WO₄H shows a unique, peculiar valence band structure dominated by hydride states.

The synthesis, structures and electronic properties of the first four heteroanionic compounds containing both hydride and transition oxometalate ions are reported.     

Measurement of γp→K + Λ and γp→K + Σ 0 at photon energies up to 1.47 GeV

The reactions pK ⁺ and pK ^{+ 0} have been measured with the multiparticle detector system SAPHIR at ELSA in Bonn. Besides the differential cross sections the polarization and, for the first time, the ⁰ polarization have been determined in a photon induced reaction. All data are presented as functions of the photon energy (from threshold up to 1.47 GeV) and of the kaon production angle (0°–180°). The polarization of both and ⁰ is substantial at all energies and varies strongly with the production angle.This work is supported by the Bundesminister für Forschung und Technologie (BMFT), FK 06 BN 621 I     

Knight shift tensors and π-spin densities in the organic metals αt-(BEDT-TTF)2I3 and (BEDT-TTF)2Cu(NCS)2

¹³C-MASS spectra of pure BEDT-TTF and of the organic metals α_t-(BEDT-TTF)₂I₃ and (BEDT-TTF)₂Cu(NCS)₂ were recorded atν _L = 68 MHz. Isotropic shifts and the principal components of the shift tensors were determined, respectively, from the center and spinning side bands. For pure BEDT-TTF which is a diamagnetic insolator, the measured shifts arechemical shifts while for the organic metals they are the sum of chemical and Knight shifts. In each of the compounds the shifts are assigned ingroups to theinner, middle andouter carbons of the BEDT-TTF molecule. For the organic metals the separation of the experimental shifts into chemical and Knight shifts is discussed. From the anisotropic part of the Knight shift tensors the π-spin densities at the carbon and sulphur positions of the BEDT-TTF molecule are inferred. The result is that the π-spin density of the unpaired hole is concentrated on the center part of the BEDT-TTF molecule, i.e., on the inner and middle carbons, and on the inner sulphurs. It is argued that the current density is concentrated on this part of the BEDT-TTF molecule as well.     

Evidence for a wide extra-astrocytic distribution of S100B in human brain

Background  

S100B is considered an astrocytic in-situ marker and protein levels in cerebrospinal fluid (CSF) or serum are often used as biomarker for astrocytic damage or dysfunction. However, studies on S100B in the human brain are rare. Thus, the distribution of S100B was studied by immunohistochemistry in adult human brains to evaluate its cell-type specificity.