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1.
Abd El-Badih A. G. Ghattas Hassan M. Moustafa Elsayed A. A. Hassanein Bahgat R. M. Hussein 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):1469-1481
Abstract Alkylation of 4-anilino-5-phenyl-4H-1,2,4-triazole-3-thiol (1) with some halo compounds yielded the corresponding sulfides 2a–f. Some sulfides 2e,f were cyclized to give triazolothiadiazines 3 and 4. Triazolothiadiazoles 5 and 6 were prepared through the reaction of compound 1 with carbon disulfide or ethyl orthoformate, respectively. Treatment of compound 1 with ethyl chloroformate or phenyl isothiocyanate yielded triazolo-thiadiazole and triazole 9 and 10, respectively. Reaction of compound 1 with Lawesson's reagent gave triazolothiadiazaphosphole derivative 11. Also, compound 1 underwent cyclocondensation reactions with some bidentate reagents to give triazolothiazines 4, 12, and 13. Triazolo-thiazepines and triaziepine 14–16 were synthesized via the reaction of compound 1 with β-ketoesters or ethyl cyanoacetate. Tricyclic systems 19 and 20 were prepared through the reaction of compound 4 with the appropriate reagent. Some synthesized compounds were tested for antibacterial activity. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. 相似文献
2.
Ruthenium‐Catalyzed Reductive Methylation of Imines Using Carbon Dioxide and Molecular Hydrogen
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Dr. Kassem Beydoun Ghazi Ghattas Katharina Thenert Prof. Dr. Jürgen Klankermayer Prof. Dr. Walter Leitner 《Angewandte Chemie (International ed. in English)》2014,53(41):11010-11014
The use of the well‐defined [Ru(triphos)(tmm)] catalyst, CO2 as C1 source, and H2 as reducing agent enabled the reductive methylation of isolated imines, as well as the direct coupling of amines with aldehydes and the subsequent reductive methylation of the in situ formed imines. The method, which afforded the corresponding N‐methyl amines in very good to excellent yields, was also used for the preparation of the antifungal agent butenafine in one step with no apparent waste, thus increasing the atom efficiency of its synthesis. 相似文献
3.
Bernet L Lalrempuia R Ghattas W Mueller-Bunz H Vigara L Llobet A Albrecht M 《Chemical communications (Cambridge, England)》2011,47(28):8058-8060
The catalytic water oxidation activity of mononuclear ruthenium complexes comprising a pyridine-functionalized abnormal triazolylidene ligand can be adjusted by modification of the triazolylidene substituents, which is readily achieved through click-type cycloaddition chemistry, affording some of the most active ruthenium catalysts known thus far for water oxidation (TONs > 400, TOFs close to 7000 h(-1)). 相似文献
4.
Lucas C. Wilcox Georg Stadler Carsten Burstedde Omar Ghattas 《Journal of computational physics》2010,229(24):9373-9396
We introduce a high-order discontinuous Galerkin (dG) scheme for the numerical solution of three-dimensional (3D) wave propagation problems in coupled elastic–acoustic media. A velocity–strain formulation is used, which allows for the solution of the acoustic and elastic wave equations within the same unified framework. Careful attention is directed at the derivation of a numerical flux that preserves high-order accuracy in the presence of material discontinuities, including elastic–acoustic interfaces. Explicit expressions for the 3D upwind numerical flux, derived as an exact solution for the relevant Riemann problem, are provided. The method supports h-non-conforming meshes, which are particularly effective at allowing local adaptation of the mesh size to resolve strong contrasts in the local wavelength, as well as dynamic adaptivity to track solution features. The use of high-order elements controls numerical dispersion, enabling propagation over many wave periods. We prove consistency and stability of the proposed dG scheme. To study the numerical accuracy and convergence of the proposed method, we compare against analytical solutions for wave propagation problems with interfaces, including Rayleigh, Lamb, Scholte, and Stoneley waves as well as plane waves impinging on an elastic–acoustic interface. Spectral rates of convergence are demonstrated for these problems, which include a non-conforming mesh case. Finally, we present scalability results for a parallel implementation of the proposed high-order dG scheme for large-scale seismic wave propagation in a simplified earth model, demonstrating high parallel efficiency for strong scaling to the full size of the Jaguar Cray XT5 supercomputer. 相似文献
5.
Ghattas W Hess CR Iacazio G Hardré R Klinman JP Réglier M 《The Journal of organic chemistry》2006,71(22):8618-8621
An efficient preparation of pure ethyl Z- and E-alpha,alpha-difluoro-4-phenyl-3-butenoate 1a and 1b together with the corresponding acids 2a and 2b is described. The procedures involve stereocontrolled additions of *CF2CO2Et to phenylacetylene or beta-bromostyrene. Compound 1a is easily obtained by addition of *CF2CO2Et to phenylacetylene via a mechanism where the stereochemistry is controlled by an electron-transfer process to produce predominantly the Z vinyl anion. The product 1b is obtained by *CF2CO2Et addition-elimination to Z- or E-beta-bromostyrenes via a mechanism where the stereochemistry is controlled by steric factors in the conformational equilibration of the intermediates. 相似文献
6.
Discrete event simulation should offer numerous benefits in designing healthcare systems but the reality is often problematic. Healthcare modelling faces particular challenges: genuine, fundamental variations in practice and an opposition to any suggestion of standardisation from some professional groups. This paper compares the experiences of developing a new simulation in an Accident and Emergency (A&E) Department, a subsequent adaptation for modelling an outpatient clinic and applications of a generic A&E simulation. These studies provide examples of three distinct approaches to realising the potential benefits of simulation: the bespoke, the reuse and the generic route. Reuse has many advantages: it is relatively efficient in exploiting previous modelling experience, delivering timely results although providing scope for adaptations to local practice. Explicitly demonstrating this willingness to adapt to local conditions and engaging with stakeholders is particularly important in healthcare simulation. 相似文献
7.
N. K. Ghattas 《Journal of Radioanalytical and Nuclear Chemistry》1977,35(2):269-279
The possibility of applying chemical treatment prior to evaporation was discussed in the present work. Using titanium hydroxide-cobalt
ferrocyanide as coprecipitants allows fixation of high percentage of radioactive nuclides present (e.g. Cs 98%, Ru 90%, Sb
95%, Ce 98%, Am 95% and Pu 95%). Hence using such simple chemical separation before evaporation improves the process and leads
to several advantages, e.g. raising the decontamination factor, reducing radioactive aerosol production and solving the problem
of medium active waste treatment by adding the chemically precipitated solids to the high-active waste and the supernatant
to the low-active waste, are examples for these advantages. 相似文献
8.
A series of 2-heterocyclicalkylthiooxazolo[4,5-b]pyridines have been prepared through the reaction of 2-(hydrazinocarbomethylthio)oxazolo[4,5-b]pyridine with the appropriate reagents. 2-Ethylthiooxazolo[4,5-b]pyridine has been successfully employed to synthesize some fused- triheterocyclic compounds. 相似文献
9.
Design and validation of a bifunctional ligand display system for receptor targeting 总被引:2,自引:0,他引:2
Chen L Zurita AJ Ardelt PU Giordano RJ Arap W Pasqualini R 《Chemistry & biology》2004,11(8):1081-1091
Here we developed a bacteriophage display particle designed to serve as a bifunctional entity that can target tumors while delivering an agent. We engineered a chimera phage vector containing a pIII-displayed alphav integrins-targeting moiety and a pVIII-displayed streptavidin binding adaptor moiety. By using the chimeric phage particle, targeting of alphav integrins on cells in culture and tumor-related blood vessels was shown through different applications, including luminescent quantum dots localization, surface plasmon resonance-based binding detection, and an in vivo tumor model. The strategy validated here will accelerate the discovery and characterization of receptor-ligand binding events in high throughput, and cell-specific delivery of diagnostics or therapeutics to organs of choice without the need for chemical conjugation. 相似文献
10.
Kabro A Ghattas G Roisnel T Fischmeister C Bruneau C 《Dalton transactions (Cambridge, England : 2003)》2012,41(13):3695-3700
Six new ruthenium complexes bearing a bidentate (κ(2)O,C)-isopropoxy-indenylidene and PPh(3) or PCy(3) ligands have been synthesized and characterized by (1)H, (13)C NMR spectroscopy and X-ray crystallography. Some of these complexes were synthesized in dimethyl carbonate, a green solvent that was recently shown to be suitable for several catalytic transformations including olefin metathesis. The thermal stability and catalytic efficiency of the PCy(3)-containing complexes have been evaluated in a series of test reactions. 相似文献