Multigrid solution of the Poisson—Boltzmann equation

A multigrid method is presented for the numerical solution of the linearized Poisson–Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques originally developed for twodimensional interface problems occurring in reactor physics. A detailed analysis of the resulting method is presented for several computer architectures, including comparisons to diagonally scaled CG, ICCG, vectorized ICCG and MICCG, and to SOR provided with an optimal relaxation parameter. Our results indicate that the multigrid method is superior to the preconditioned CG methods and SOR and that the advantage of multigrid grows with the problem size. © 1993 John Wiley & Sons, Inc.     

Synthesis of 5-Substituted 1,3-Dimethylpyrazolo[4,3-e][1,2,4]triazines

A novel method for the synthesis of a new series of 5-substituted 1,3-dimethyl pyrazolo[4,3-e][1,2,4]triazines is described. The new synthetic strategy is based on the classical Bischler 1,2,4-benzotriazine synthesis. This approach involves the preparation of 5-hydrazinopyrazole from 5-chloro-1,3-dimethyl-4-nitropyrazole followed by acylation and nitro group reduction to form the corresponding 4-amino-3-(acylhydrazino)pyrazoles. Intramolecular oxidative cyclization of the latter derivatives, using polyphosphoric acid, produced the respective target pyrazolotriazines.     

Characteristic absolute efficiency response curves of a high purity germanium detector in the energy range 50–1500 keV

The characteristic absolute efficiency response curves of a high purity germanium detector (HPGe) for different counting geometries have been established in the energy range 50–1500 keV by measuring the absolute efficiencies using both mono-energetic and multi-gamma emitting radionuclide point calibrated sources supplied by IAEA. Several fitting functions proposed in the literature were assessed for interpolation within the intermediate energy range of interest. The values of the function parameters have been determined by using the linear least square methods. The problems associated with the measurements of experimental efficiency data at small source–detector distances and the importance of the correlation matrix in the estimation of precise uncertainties have been shown. It was found that the inclusion of correlation matrices in the propagation of error formulae plays a significant role up to 450 keV gamma-ray energy and results in a drastic reduction of errors associated with the predicted efficiencies. The discrepancy at closer counting geometries in the absence of true gamma-gamma coincidence corrections is found to reach to about 30%.     

Novel aromatic polyimides derived from benzofuro[2,3-b]benzofuran-2,3,8,9-tetracarboxylic dianhydride (BBTDA)

Benzofuro[2,3-b]benzofuran-2,3,8,9-tetracarboxylic dianhydride (BBTDA) is introduced as a monomer for the synthesis of a series of novel polyimides with enhanced high thermal stability. Polyimides derived from BBTDA and aromatic diamines showed high glass transition (T_g>296 °C) and degradation (T₅>455 °C) temperatures, and were soluble in organic solvents (i.e. N-methyl pyrrolidone (NMP), N,N^′-dimethylformamide (DMF), N,N^′-dimethylacetamide (DMAc)). The polymerization yielded high-molecular-weight polyimides with inherent viscosities ranging from 1.75 to 2.14 dl/g. The polymers were characterized by IR and elemental analysis.     

Spectrophotometric determination ofo- andp-phenylenediamines

Summary Cupric chloride-triphenylphosphine complex gives red color witho-phenylenediamine having maximum absorption at 505–520 nm and 0.5g/ml as visual limit of identification. The reaction is specific foro-phenylenediamine and obeys Beer's law (1 to 10g/ml). This reaction provides the basis of a new method for the Spectrophotometric determination ofo-phenylenediamine ing quantities.Ruthenium trichloride-triphenylphosphine complex gives blue color withp-phenylenediamine having maximum absorption at 580 nm and 2g/ml as visual limit of identification. On the basis of this color reaction a Spectrophotometric method for the determination ofp-phenylenediamine in hair dyes is described. The recovery of the dye from commercial preparations is better than 97%. Other organic compounds do not interfere.

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Zusammenfassung Kupfer(II)chlorid-triphenylphosphin reagiert mito-Phenylendiamin unter Rotfärbung mit maximaler Absorption bei 505 bis 520 nm und 0,5g/ml als Erfassungsgrenze. Die Reaktion ist für o-Phenylendiamin spezifisch und folgt dem Beerschen Gesetz zwischen 1 und 10g/ml. Sie dient als Grundlage für eine neue Methode der spektrophotometrischen Bestimmung von Mikrogrammengen o-Phenylendiamin.Rutheniumtrichlorid-triphenylphosphin reagiert mit p-Phenylendiamin unter Blaufärbung mit maximaler Absorption bei 580 nm und 2g/ml als Erfassungsgrenze. Auf dieser Grundlage läßt sich p-Phenylendiamin in Haarfärbemitteln bestimmen. In handelsüblichen Präparaten werden mehr als 97% des enthaltenen Farbstoffes gefunden. Andere Verbindungen stören nicht.

     

Viscoelasticity,mechanical properties,and in vivo biocompatibility of injectable polyvinyl alcohol/bioactive glass composite hydrogels as potential bone tissue scaffolds

Abstract

An injectable composite hydrogel composed of polyvinyl alcohol (PVA) and bioactive glass (BG) particles were synthesized by a physical crosslinking approach. The morphology, mechanical properties, and viscoelasticity of the PVA/BG composite hydrogel were characterized. Scanning electronic microscopy (SEM) showed uniform and homogeneous distribution of BG particles throughout the composite hydrogel. The incorporation of 2.5?wt% of BG particles in the composite hydrogel formulations, enhanced the static compressive strength and static elastic modulus by 325% and 150%, respectively. The storage molds (G′) was greater than the loss modules (G′′) at all the frequency range studied, which revealed a self-standing elastic composite hydrogel with a smooth injectability. The PVA/BG composite hydrogel was also implanted subcutaneously in the dorsal region of adult male rats. After 4?weeks of implantation, no inflammatory cells were seen within and around the implant, which indicated that the composite hydrogel was biocompatible. The properties of the synthesized injectable PVA/BG composite hydrogel demonstrate its capability toward bone regeneration.     

Semiquantitative determination of aromatic andα,β-unsaturated aldehydes by circular thin-layer chromatography

Summary A method for semiquantitative determination of aromatic and,-unsaturated aldehydes such as salicylaldehyde, anisaldehyde, vanillin, veratraldehyde, piperonal, cinnamaldehyde, furfural andp-dimethylaminobenzaldehyde by making circular spots of their isonicotinoyl hydrazones on chromatoplates with circular thin-layer Chromatographic apparatus and their comparison with sensitivity standards has been described. The accuracy is ± 5% and the method is rapid, simple and economical.

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Zusammenfassung Ein Verfahren zur semiquantitativen Bestimmung aromatischer und,-ungesättigter Aldehyde wie Salioylaldehyd, Anisaldehyd, Vanillin, Veratrumaldehyd, Piperonal, Zimtaldehyd, Furfural und p-Dimethylaminobenzaldehyd durch Dünnschicht-Ringchromatographie ihrer Isonikotinsäurehydrazone und Vergleich mit Standardchromatogrammen wurde beschrieben. Die Genauigkeit beträgt ±5%.

     

Aromatic polyether, -ketone, -sulfones as laminating resins. XII. Derivatives of 2,2′-diphenylethynyldiphenyl which cure by an intramolecular cyclization

Polymers made from 2,2′-diiododiphenyl-4,4′-dicarbonyl dichloride, diphenyl ether, and isophthaloyl chloride have been made and converted to the 2,2′-diphenylethynyl derivatives. Introduction of units of isophthaloyl chloride reduced the melting point of these polymers to about 200°C, and they could then be cured by heating. A good glass laminate was prepared and cured from one of the polymers.     

Reactions of [(Cp)2Ti(NCS)2] as a potential metalloligand; synthesis and physico-chemical investigations of novel heterobimetallic complexes

Summary Bis(cyclopentadienyl)titanium(IV) diisothiocyanate [(Cp)₂-Ti(NCS)₂] reacts with MCl₂ (M = Cu, Pd or Pt), [CuCl(PPh₃)₃], [RuCl₂(PPh₃)₃] and [RuCl₂(DMSO)₄] (DMSO = dimethylsulphoxide) giving solid compounds of stochiometry [(Cp)₂Ti(-NCS)₂MCl₂] (M = Cu, Pd or Pt), [(Cp)₂Ti(-NCS)₂CuCl(PPh₃)], [(Cp)₂Ti(-NCS)₂-RuCl(PPh₃)₂]Cl and [(Cp)₂Ti(-NCS)₂RuCl₂(DMSO)2]. These products have been characterized by physicochemical and spectroscopic methods.