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Planar
Kinds of Planar Terms modified by Planar Selected AbstractsSynthesis, Coordination and Catalytic Utility of Novel Phosphanyl,ferrocenecarboxylic Ligands Combining Planar and Central ChiralityEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 16 2007Martin Lama Abstract The chiral ferrocene derivative (R,Rp)-2-[1-(diphenylphosphanyl)ethyl]ferrocenecarboxylic acid (1) is prepared together with selected derivatives resulting from modification at the phosphane moiety [P -oxide (5) and P -sulfide (4)] and the carboxyl group {amides bearing benzyl (6) and (R)- or (S)-1-phenylethyl substituents [(R)- 7 and (S)- 7] at the amide nitrogen atom}. Acid 1 and amide 6 are studied as ligands in rhodium and palladium complexes. Bridge cleavage of the dimer [{Rh(,-Cl)Cl(,5 -C5Me5)}2] with 1 gives [RhCl2(,5 -C5Me5)(1 -,P)] (9) containing P-monodentate 1, which undergoes smooth conversion to the (phosphanylalkyl)ferrocenecarboxylato complex [RhCl(,5 -C5Me5){Fe(,5 -C5H5)(,5 -C5H3 -1-CH(Me)PPh2 -2-COO-,2O,P}] (10) upon treatment with silica gel or alumina. Yet another O,P -chelate complex,[Rh{Fe(,5 -C5H5)(,5 -C5H3 -1-CH(Me)PPh2 -2-COO-,2O,P}(CO)(PCy3)] (11; Cy = cyclohexyl) is obtained directly by an acid-base reaction between the acetylacetonato complex [Rh(acac)(CO)(PCy3)] and 1. Amide 6 reacts with [{Pd(,-Cl)(,3 -C3H5)}2] to give the expected phosphane complex [PdCl(,3 -C3H5)(6 -,P)] (12), while the replacement of the cyclooctadiene (cod) ligand in [PdCl(Me)(cod)] affords the chelate complex [PdCl(Me)(6 -,2O,P)] (13). All compounds are characterised by spectroscopic methods and the solid-state structures of 5, 9, 11, 13, (R,Sp)-2-[1-(diphenylphosphoryl)ethyl]-1-[N -(R)-(1-phenylethyl)carbamoyl]ferrocene [(R)- 8; phosphane oxide from (R)- 7], and the synthetic precursors (R,Sp)-1-bromo-2-[1-(diphenylphosphanyl)ethyl]ferrocene (2) and (R,Sp)-1-bromo-2-[1-(diphenylthiophosphoryl)ethyl]ferrocene (3) determined by single-crystal X-ray diffraction. The catalytic properties of 1 and the amides are probed in enanatioselective rhodium-catalysed hydrogenation and palladium-catalysed asymmetric allylic alkylation. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Diastereopure Cationic NCN-Pincer Palladium Complexes with Square Planar ,4 - N,C,N,O CoordinationEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 22 2006Silvia Gosiewska Abstract Neutral NCN-pincer palladium bromide complex 2 containing the monoanionic, enantiopure pincer ligand 2,6-bis{[(S)-2-hydroxymethyl-1-pyrrolidinyl]methyl}phenyl bromide (1) with bis- ortho -(S)-prolinol substituents was synthesized and isolated as a mixture of three stereoisomers [(SN,SN,SC,SC), (RN,SN,SC,SC), and (RN,RN,SC,SC)] in a 1:1:1 ratio. Upon abstraction of the bromide ion from the unresolved mixture of 2, single diastereoisomers of the cationic complexes [3]BF4 and [3]PF6, respectively, were formed with a unique,4 - N,C,N,O coordination mode of ligand 1. X-ray crystal structure determination established the intramolecular,4 - N,C,N,O coordination of 1 to palladium where the typical mer -,3 - N,C,N pincer coordination is accompanied by coordination of one of the hydroxy groups of the (S)-prolinol moieties. The water molecule that was cocrystallized in the crystal structure of [3]PF6 does not coordinate to palladium, but instead is involved in a hydrogen bonding network. The catalytic potential of both cationic complexes, [3]BF4 and [3]PF6, was tested in an aldol reaction of aldehydes with methyl isocyanoacetate to yield the oxazoline products as racemic mixtures.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) [source] Direct-Write Assembly of 3D Hydrogel Scaffolds for Guided Cell GrowthADVANCED MATERIALS, Issue 23 2009Robert A. Barry III Planar and 3D hydrogel scaffolds are patterned via direct-write assembly of hydrogel-based inks. Through simultaneous ink writing and UV polymerization, both 1D and 3D microperiodic scaffolds are created. 3T3 murine fibroblasts are seeded onto the scaffolds and their process development is observed using fluorescence microscopy. [source] The Electrophoretic Deposition of Lanthanum Manganite Powders for a Cathode-Supported Solid Oxide Fuel Cell in Planar and Tubular ConfigurationsINTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, Issue 6 2008Ivana Krklju The purpose of this research was to obtain porous, high-quality cathodes for solid oxide fuel cells in both planar and tubular shapes. To accomplish this, cathodic electrophoretic deposition of the LaMnO3 powder (synthesized by the modified sol,gel method proposed by Pechini) was performed. The optimal sintering temperatures were 1200°C and 1300°C for the tubular and planar configurations, respectively. Single-phase deposits with about 40% porosity were obtained in both configurations. The cathode quality was confirmed by depositing an electrolyte layer of YSZ. After the cosintering of both layers, an extremely dense electrolyte layer was obtained, and the cathode layer retained its high porosity. [source] Planar- and Central-Chiral N,O- [2.2]Paracyclophane Ligands: Non-Linear-Like Effects and ActivityADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 4-5 2006Frank Lauterwasser Abstract The non-linear-like effect (NLLE), activity, temperature dependence, and kinetics of hydroxy[2.2]paracyclophane ketimine ligands have been investigated with the 1,2-addition reaction of diethylzinc to cyclohexanecarbaldehyde. A linear correlation between the enantiomeric excess of AHPC ketimine ligands bearing a phenylethyl side group and the product was observed with 0.5,mol,% of catalyst loading. On increasing the catalyst loading to 4,mol,%, a precipitate of the inactive heterochiral species was formed and resulted in a positive non-linear-like effect. The enantiomeric ratio was found to have linear temperature dependence. [source] Planar 4-element UWB antenna array and time domain characterizationMICROWAVE AND OPTICAL TECHNOLOGY LETTERS, Issue 12 2008Ying-Ying Yang Abstract In this article, a novel planar ultra-wideband (UWB) antenna array based on four identical UWB antenna elements for UWB applications is presented. The proposed antenna array yields an impedance bandwidth of 3.1,10.6 GHz with VSWR <2. Over the entire bandwidths, it has constant high gain, which is about 6.5,10.5 dBi, and a 60° 3-dB beamwidth is obtained within the operational band. A planar 2-element UWB antenna array and a band-notched 4-element UWB antenna array are also provided for references. Time domain descriptors of the proposed antenna array have been used to estimate short-range UWB signal transmission, propagation, and reception. © 2008 Wiley Periodicals, Inc. Microwave Opt Technol Lett 50: 3118,3123, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.23874 [source] ChemInform Abstract: Boron Cluster Cations: Transition from Planar to Cylindrical Structures.CHEMINFORM, Issue 7 2008Esther Oger Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "References" option. [source] Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4 [(,5 -WSe4)(CuI)5(,-I)2] and Octahedral Polymeric [(,6 -WSe4)Cu6I4 (py)4]n from Planar [Et4N]4 [(,4 -WSe4)Cu4I6] with Additional Faces.CHEMINFORM, Issue 38 2006Qian-Feng Zhang Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source] JTruss: A CAD-oriented educational open-source software for static analysis of truss-type structuresCOMPUTER APPLICATIONS IN ENGINEERING EDUCATION, Issue 4 2008Francesco Romeo Abstract A CAD-oriented software (JTruss) for the static analysis of planar and spatial truss-type structures is presented. Developed for educational purposes, JTruss is part of an open-source project and is characterised by complete accessibility (i.e. platform independent) and high software compatibility. CAD methodologies are employed to implement commands for handling graphic models. A student friendly graphical interface, tailored mainly for structural mechanics introductory courses in engineering and architecture programs, is conceived. Accordingly, the standard sequence involved in the software design, namely pre-processing, processing and post-processing, is implemented aiming to improve the structural behaviour interpretation. © 2008 Wiley Periodicals, Inc. Comput Appl Eng Educ 16: 280,288, 2008; Published online in Wiley InterScience (www.interscience.wiley.com); DOI 10.1002/cae20150 [source] Crystal structure of a polar nematogen 4-(trans- 4-undecylcyclohexyl) isothiocyanatobenzeneCRYSTAL RESEARCH AND TECHNOLOGY, Issue 10 2007S. Biswas Abstract Crystal and molecular structures of a nematogenic compound 4-(trans- 4-undecylcyclohexyl) isothiocyanatobenzene (11CHBT) have been determined by direct methods using single crystal X-ray diffraction data. The compound (C24H37N1S1) crystallizes in the monoclinic system with the space group P21/c and Z = 4. The unit cell parameters are a = 5.5539(11) Å, b = 8.1341(10) Å, c = 51.494(5) Å, and (= 91.127(14)0. The structure was refined to Rw = 0.051. The molecule is found to be slightly bow-shaped though the alkyl chain is in all- trans conformation. The phenyl ring and the alkyl chain are planar and the cyclohexyl group is in chair conformation. The isothiocyanato groups are almost linear. Parallel imbricated mode of packing of the molecules is found in the crystalline state which is precursor to the nematic phase structure. There are many van der Waals' interactions particularly in the isothiocyanato benzene part of the molecule. Of the various associated pairs of molecules the one having anti-parallel configuration with overlaps in the isothiocyanato phenyl group probably exists in both the crystalline and the nematic phases. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Hydrogen bonding of modified bases involving Watson-Crick sites: Crystal structure and conformation of Benzyl 6-aminopurine-7-carboxylateCRYSTAL RESEARCH AND TECHNOLOGY, Issue 7 2006J. M. Ohrt Abstract Crystals of benzyl 6-aminopurine-7-carboxylate (C13H11N5O2) are monoclinic, space group C2/c, Z = 8, with a = 25.448 (9), b = 6.052 (1), c = 16.975 (6)Å, , = 112.05 (5)°, M = 269.27, Dm= 1.49, Dx= 1.48 g/cm3. The structure was determined from three-dimensional diffractometric data by the multisolution technique and refined to a final reliability factor of 0.068. The molecule is planar with an intramolecular hydrogen bond from one of the amino hydrogens, Ha(N6) to the keto oxygen O(10) of the acyl group. The molecules are hydrogen bonded across the center of inversion by a pair of intermolecular hydrogen bonds using the Watson-Crick sites. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Rh(I) and Pd(II) complexes of methoxy functionalized heterocyclic carbene: Synthesis and characterizationCRYSTAL RESEARCH AND TECHNOLOGY, Issue 6 2006M. E. Günay Abstract A new methoxy functionalized 2-(trichloromethyl)-1,3-diarylimidazolidin (6) was synthesized as the precursor for N-heterocyclic carbene complexes of Pd(II) and Rh(I) by the condensation of N,N'-bis(2,4-dimethoxyphenyl)-1,2-diaminoethane with chloral. The structures of all compounds have been elucidated by a combination of multinuclear NMR spectroscopy, elemental analysis and in one instance, by single crystal X-ray diffraction. Compound 8, C27H34N2O4ClRh, crystallizes in the triclinic space group P-1 with cell dimensions a = 9.7642(12)Å, b = 11.1914(11)Å, c = 13.0102(14)Å, , = 104.034(9)°, , = 106.658(9)°, , = 99.658(9)° with Z = 2. The molecular structure of 8 shows the geometry around the Rh metal to be a slightly distorted square planar. The crystal structure shows the formation of centrosymmetric dimers via intermolecular C-H...Cl hydrogen bonds. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Spectroscopic and crystal structure analysis of diamminebis(2,4,6-triiodophenolato-O) copper(II)CRYSTAL RESEARCH AND TECHNOLOGY, Issue 5 2006Gülsün Göka Abstract The crystal structure of [Cu(C6H2I3O)2(NH3)2] (CCDC 238896) has been determined by x-ray diffraction. This monomeric centrosymmetric Cu(II) complex crystallizes in the monoclinic system. The CuO2N2 coordination sphere is trans -planar, [Cu,O: 1.943(5) Å and Cu-N: 1.972(7)] with the fifth and sixth coordination sites occupied by I atoms from the phenoxide ions [Cu,I1: 3.3552(8) Å] to form a tetragonally elongated octahedral structure for CuO2N2I2 coordination. The complex molecules hold together in a one dimensional chain true [100] direction by intermolecular hydrogen bonds. Differantial scanning calorimeter, FTIR and magnetic susceptibility measurements were also performed in order to identify the title complex. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Crystal structures of two acridinedione derivativesCRYSTAL RESEARCH AND TECHNOLOGY, Issue 3 2005K. Palani Abstract The crystal structures of two acridinedione derivatives, namely 10-(3,4-Dichloro-5-hydroxyphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H, 5H) acridinedione (DHHA, CCDC 206440) and 10-(3,5-Dihydroxy-4-nitrophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H, 5H) acridinedione (DHNA, CCDC206441) are reported here. Both the structures were solved by direct methods and refined by full-matrix least-squares procedures to final R- values of 0.073 and 0.076 respectively. In both the crystal structures, the central pyridine ring in the acridinedione moiety tends to be planar while the outer two rings adopt half-chair (sofa) conformation. The buckling angles 2.2(2)° and 11.0(1)° for DHHA and DHNA show the degree of planarity of the acridinedione moiety. The C-H,O types of hydrogen bonds help to stabilize the molecules in the unit cell in addition to van der Waals forces. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Structure and conformation of a nickel complex: {2-Hydroxo-3-piperidine-1-yl-methyl-N,N,(bis-5-bromobenzylpropylenediimine)nickel(II)perchlorate}CRYSTAL RESEARCH AND TECHNOLOGY, Issue 2 2004S. M. Malathy Sony Abstract The title compound, a nickel complex [C23H26N3O2Br2Ni.(ClO4)] (CCDC 199520) crystallizes in triclinic space group P with the cell parameters a = 10.2560(4), b = 10.8231(4), c = 12.0888(5)Å, , = 99.404(1), , = 99.780(1), , = 92.252(1)° and V = 1301.49(9)Å3. The structure was solved by Patterson method and refined by full-matrix least-squares procedures to a final R = 0.0497 using 6287 observed reflections. In the complex, the piperidine ring takes chair conformation and the geometry around the Ni ion is slightly distorted square planar. The dihedral angle between the planes [N-Ni-N and O-Ni-O] is 9.4(1)°. The chelate ring containing both the nitrogen atoms adopts twisted boat conformation. The molecules in the crystal are stabilized by N-H,O and C-H,O types of hydrogen bonds in addition to a C-H,, interaction. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Imaging studies of biodistribution and kinetics in drug developmentDRUG DEVELOPMENT RESEARCH, Issue 2 2003Marc S. Berridge Abstract Although the intravenous route of administration is rarely used for drugs, it is by far the most common route for PET and SPECT radiotracers. This article discusses the use of planar and tomographic nuclear medicine technologies to image and quantify the distribution of drugs after local administration. In principle, this would include topical dermatologic, otic, ophthalmic, rectal, and vaginal administration, as well as the intramuscular, oral, and inhalation routes, although precedents do not yet exist for all of these. The studies reviewed focus mainly on oral ingestion and oral and nasal inhalation. The use of nondrug tracers for formulations is discussed, principally with planar imaging or SPECT using radionuclides such as 99mTc, as well as PET imaging where the active ingredient of a formulation can be labeled with 11C or sometimes 18F. An example of the latter type is a study of the deposition and kinetics in the lungs and airways of triamcinolone acetonide, an antiinflammatory steroid used for topical treatment of allergic rhinitis and asthma, dispensed from an inhaler. PET has high potential for evaluation of different formulations and delivery devices in the development of topically applied drugs. Drug Dev. Res. 59:208,226, 2003. © 2003 Wiley-Liss, Inc. [source] Gelifluction: viscous flow or plastic creep?EARTH SURFACE PROCESSES AND LANDFORMS, Issue 12 2003Charles Harris Abstract This paper reports results from two scaled centrifuge modelling experiments, designed to simulate thaw-related geli,uction. A planar 12° prototype slope was modelled in each experiment, using the same natural ,ne sandy silt soil. However two different scales were used. In Experiment 1, the model scale was 1/10, tested in the centrifuge at 10 gravities (g) and in Experiment 2, the scale was 1/30, tested at 30 g. Centrifuge scaling laws indicate that the time scaling factor for thaw consolidation between model and prototype is N2, where N is the number of gravities under which the model was tested. However, the equivalent time scaling for viscous ,ow is 1/1. If geli,uction is a viscosity-controlled ,ow process, scaling con,icts will therefore arise during centrifuge modelling of thawing slopes, and rates of displacement will not scale accurately to the prototype. If, however, no such scaling con,icts are observed, we may conclude that geli,uction is not controlled by viscosity, but rather by elasto-plastic soil deformation in which frictional shear strength depends on effective stress, itself a function of the thaw consolidation process. Models were saturated, consolidated and frozen from the surface downwards on the laboratory ,oor. The frozen models were then placed in the geotechnical centrifuge and thawed from the surface down. Each model was subjected to four freeze,thaw cycles. Soil temperatures and pore water pressures were monitored, and frost heave, thaw settlement and downslope displacements measured. Pore water pressures, displacement rates and displacement pro,les re,ecting accumulated shear strain, were all similar at the two model scales and volumetric soil transport per freeze,thaw cycle, when scaled to prototype, were virtually identical. Displacement rates and pro,les were also similar to those observed in earlier full-scale laboratory ,oor experiments. It is concluded therefore that the modelled geli,uction was not a time-dependent viscosity-controlled ,ow phenomenon, but rather elasto-plastic in nature. A ,rst approximation ,,ow' law is proposed, based on the ,Cam Clay' constitutive model for soils. Copyright © 2003 John Wiley & Sons, Ltd. [source] Influence of the Orifice Inlet Angle on the Velocity Profile Across a Flow Convergence Region by Color Doppler In VitroECHOCARDIOGRAPHY, Issue 5 2000Martin Giesler M.D. The converging flow field proximal to a leaking valve is determined among other things by the orifice inlet angle formed by the leaflets. Thus, the inlet angle affects the determination of regurgitant flow rate by the flow convergence method. Based on the hypothesis of spheric isovelocity surfaces, others had postulated that a local velocity within the flow convergence should change inversely proportional to changes in the three-dimensional inlet angle. This concept would allow correction of the determination of regurgitant flow for nonplanar orifice inlet angles. We tested this concept in vitro. In a flow model, the flow convergence region proximal to different orifice plates was imaged by color Doppler: funnel-shaped, planar and tip-shaped (inverted funnels) orifice plates, with circular orifices of 2- and 7-mm diameter. Velocity profiles across the flow convergence along the flow centerline were read from the color maps. As predicted, the local velocities were inversely related to the inlet angle, but only at the 2-mm funnel orifices, this effect was inversely proportional to the three-dimensional inlet angle (i.e., in agreement with the mentioned concept). However, for any 7-mm orifice and/or inlet angle of > 180°, the effect of the inlet angle was considerably less than predicted by the aforementioned concept. With increasing orifice diameter and with decreasing distance to the orifice, the effect of the orifice inlet angle was reduced. The effect of the orifice inlet angle on the flow convergence region is modulated by orifice size and the distance to the orifice. Therefore, correction of flow estimates in proportion to the three-dimensional inlet angle will lead to considerable errors in most situations of clinical relevance, namely to massive overcorrection when analyzing velocities located close to wide orifices. [source] A Contactless Impedance Probe for Simple and Rapid Determination of the Ratio of Liquids with Different Permittivities in Binary MixturesELECTROANALYSIS, Issue 1 2009Franti, ek Opekar Abstract Simple contactless cells with planar or tubular electrodes have been designed for measurement of the permittivity of solutions. The cells, connected to an integrated circuit of astable multivibrator, respond primarily to the capacitance component of the cell impedance, the multivibrator frequency depends in a defined manner on the solution permittivity and is readily used as the analytical signal in determinations of the ratios of components in binary liquid mixtures; water solution of methanol, ethanol and dioxane have been tested. The response of the cell with planar electrodes satisfies well the simple theoretical model and both the cells provide results with a sufficient sensitivity, a low LOD value (units of %vol) and a good precision (around 1%rel). The cell simplicity, small dimensions, long-term stability and the possibility of powering them from a battery make them suitable for hand-held meters. As an example of application in practice, the content of ethanol was determined in the car fuel petrol. [source] Spectroelectrochemical Sensing Based on Multimode Selectivity Simultaneously Achievable in a Single Device.ELECTROANALYSIS, Issue 5 2007Abstract Quaternized poly(4-vinylpyridine) (QPVP) has been incorporated as an anion exchanger into sol-gel derived silica films for use in a spectroelectrochemical sensor. The preparation, characteristics and performance of these films are described. The films, which are spin-coated onto the surface of a planar optically transparent electrode, are optically transparent and uniform. Scanning electron microscopy and spectroscopic ellipsometry have been used to examine film structure, thickness and optical properties. These films have been shown both spectroscopically and electrochemically to preconcentrate ferrocyanide, a model analyte for the sensor. The films can be regenerated for multiple measurements by exposure to 1,M KNO3. The effects of polymer molecular weight and storage conditions on film performance are described. The overall response of this film is comparable to the poly(dimethyldiallylammonium chloride)-silica films previously used for this sensor. [source] Study of a Catalytic Mechanism in Additive Differential Pulse TechniquesELECTROANALYSIS, Issue 4 2003Angela Molina Abstract The new electrochemical double pulse technique, known as additive differential normal pulse voltammetry (ADNPV) when there is no restriction on the duration of both pulses, and additive differential pulse voltammetry (ADPV) when t2,t1, has been applied to a pseudo-first-order catalytic mechanism. The expressions obtained here are applicable to planar and spherical electrodes, of any radius. This is of great interest since the size of the electrode plays an important role in the preponderating of diffusive and kinetics processes. The signal obtained with this technique presents the same morphological characteristics as the triple pulse technique, double differential pulse voltammetry (DDPV) and is more advantageous than DDPV and than the double pulse one, differential pulse voltammetry (DPV). [source] Thermal modeling and simulation of an integrated solid oxide fuel cell and charcoal gasification systemENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY, Issue 3 2009C. Ozgur Colpan Abstract In this study we propose a novel integrated charcoal gasification and solid oxide fuel cell (SOFC) system, which is intended to produce electricity and heat simultaneously. This system mainly consists of an updraft gasifier using air and steam as the gasification agents, a planar and direct internal reforming SOFC and a low temperature gas cleanup system. The performance of this system is assessed through numerical modeling using a pre-developed and validated heat transfer model of the SOFC and thermodynamic models for the rest of the components. These models are used to simulate the performance of the cell and system for a case study. In addition, a parametric study is conducted to assess the effect of Reynolds number at the fuel channel inlet of the SOFC on the cell performance, e.g., fuel utilization and power density, and the system performance, e.g., electrical efficiency, exergetic efficiency, and power to heat ratio. The number of stacks is also calculated for different Reynolds numbers to discuss the economical feasibility of the integrated system. The results show that the electrical efficiency, exergetic efficiency and power to heat ratio of this system are 33.31%, 45.72%, and 1.004, respectively, for the base case. The parametric study points out that taking the Reynolds number low yields higher electrical and exergetic efficiencies for the system, but it also increases the cost of the system. © 2009 American Institute of Chemical Engineers Environ Prog, 2009 [source] Efficient DNA Cleavage Induced by Copper(II) Complexes of Hydrolysis Derivatives of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine in the Presence of Reducing AgentsEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 6 2007Joaquín Borrás Abstract The reaction of 2,4,6-tri(pyridyl)-1,3,5-triazine (ptz) and copper(II) salts in dmf/water (1:1) results in the hydrolysis of ptz and formation of the anions bis(2-pyridylcarbonyl)amide (ptO2,) and bis(2-pyridylamine)amide (ptN2,), which are found in the complexes [Cu(ptN2)(OAc)]·3H2O (1), [Cu(ptO2)(OAc)(H2O)]·H2O (2), [Cu(ptN2)(for)]·3H2O (3) (for = formate), [Cu(ptO2)(for)(H2O)] (4), [Cu(ptO2)(benz)]·H2O (5) (benz = benzoate), and [Cu(ptO2)F(H2O)]2·3H2O (6). This report includes the chemical and spectroscopic characterization of all these complexes along with the crystal structures of 4,6. The coordination spheres of CuII in 4 and 5 are best described as distorted tetragonal square pyramidal for the former and distorted square planar for the latter. The crystal structure of 6 shows the presence of two discrete monomeric [Cu(ptO2)F(H2O)] entities in the crystallographic asymmetric unit in which both copper(II) ions have a distorted square-pyramidal coordination geometry. The binding of the complexes to DNA has been investigated with the aid of viscosity and thermal denaturation studies, both of which indicate that the interaction is probably due to the outer-sphere mechanism. The ability of the compounds to cleave DNA has also been tested. Efficient oxidative cleavage was observed in the presence of a mild reducing agent (ascorbate) and dioxygen. Mechanistic studies with reactive oxygen species (ROS) scavengers confirm that hydrogen peroxide, the hydroxyl radical, singlet oxygen-like species, and the superoxide anion are necessary diffusible intermediates in the scission process. A mechanism involving either the Fenton or theHaber,Weiss reaction plus the formation of copper oxene species is proposed for the DNA cleavage mediated by these compounds.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Complexes of the Bicyclic Multifunctional Sulfur-Nitrogen Ligand F3CCN5S3 with Co2+, Zn2+, Cu2+, and Cd,EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 17 2005Carsten Knapp Abstract The ability of the sulfur-nitrogen-carbon bicycle F3CCN5S3 to act as a donor towards transition metal cations has been investigated. F3CCN5S3 forms complexes with [M(SO2)2](AsF6)2 [M = Co, Cu, Zn, Cd] in the ratio 2:1 of the composition [M(F3CCN5S3)2(OSO)2(FAsF5)2] [M = Co (1), Zn (3)], [Cu(F3CCN5S3)2(,-F)(,-F2AsF4)]2 (4), and [Cd(F3CCN5S3)(,-F3CCN5S3)(,2 -F2AsF4)2]2 (5) in liquid sulfur dioxide. In the octahedral Co and Zn complexes F3CCN5S3 coordinates as a monodentate ligand through the bridging nitrogen atom N5, which carries the highest negative charge according to theoretical calculations. With Cu2+ a dinuclear structure with a central planar, four-membered Cu2F2 ring is formed, which has the shortest Cu···Cu distance of all structurally characterized Cu2F2 units. Similar to the Co and Zn complexes, F3CCN5S3 acts as a terminal monodentate ligand in the Cu compound. The reaction with the larger and softer Cd2+ cation results in a dinuclear complex that contains terminal and bridging F3CCN5S3 ligands. The bridging ligands coordinate through N5 and a nitrogen atom neighboring the carbon atom. In addition, a third weak bonding interaction between one fluorine atom of the trifluoromethyl substituent and the Cd2+ center is observed. The formation of the different structures and the versatile coordination modes of the F3CCN5S3 ligand are discussed. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] First-Row Transition Metal Bis(amidinate) Complexes; Planar Four-Coordination of FeII Enforced by Sterically Demanding Aryl SubstituentsEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 11 2005Christian A. Nijhuis Abstract The sterically hindered benzamidinate ligand [PhC(NAr)2], (Ar = 2,6- iPr2C6H3) has been employed to prepare bis(amidinate) complexes [{PhC(NAr)2}2M] of the divalent first-row transition metals Cr,Ni (1,5). For Cr (planar), Mn and Co (tetrahedral) the observed structures follow the electronic preference for the metal ion in its highest spin multiplicity, as determined by DFT calculations. Remarkably, the Fe derivative adopts a distorted planar structure while retaining the high-spin (S = 2) configuration. This rare combination is due to reduced interligand steric interactions in the planar vs. the tetrahedral structure, combined with a relatively small electronic preference of FeII for the tetrahedral environment. Thus, the simple bidentate ligand N,N' -diarylbenzamidinate provides a convenient means to make this unusual species accessible for further study. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] Second-Order Nonlinear Optical Properties of Tetraaza-Coordinated Nickel(II) ComplexesEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 14 2003Santo Di Bella Abstract In this contribution, we report the design and theoretical analysis, using the INDO/SCI-SOS quantum chemical formalism, of novel molecular architectures based on planar [N4]-, (2-aminobenzylideneiminato)- and tetraazamacrocycle-coordinated nickel(II) complexes, having second-order nonlinear optical (NLO) properties. Calculations indicate that these molecules possess comparable, or even larger, second-order nonlinearity to the bis(salicylaldiminato)NiII Schiff-base analogues. The nonlinearity of substituted complexes is dominated by the nature and position of substituents on the tribenzo[b,f,l] and/or cyclotetradecine rings, and is determined by the relative directions of the ground- and excited-state dipole moments. Moreover, substitution with acceptor groups in the dibenzo[b,l] rings involves a significant octupolar contribution to optical nonlinearity. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003) [source] Alternative Mechanistic Paths in the Hetero-Diels,Alder Reaction of ,-Oxothiones: A Theoretical StudyEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 21 2007Laura Legnani Abstract DFT calculations at the B3LYP/6-311+G(d,p) level for the C, H, and O atoms and at the 6-311+G(2df,p) level for the S atom were used to study the hetero-Diels,Alder reactions between several ,-oxothiones and ethylene or methyl vinyl ether (MVE). All the transition states and the intermediates along the reaction pathways, as well as the reaction products, were located. The reactions with ethylene are all concerted though asynchronous whereas in the reactions with MVE the electron-releasing character of the methoxy substituent lowers the energy barriers and enhances the asynchronicity and the charge transfer process to such an extent that the reaction may become unconcerted and exhibit a two-step mechanism with a zwitterionic intermediate derived from nucleophilic attack of electron-rich MVE to the sulfur atom of the strongly electrophilically activated ,-oxothiones. The reactions are also favored by the conjugation of the newly formed C=C bond. Moreover, the geometric features of the diene exert a nonnegligible role, as dienes that are planar or almost planar in their ground state show a lower energy barrier. Thus, both geometric and electronic features of the dienes as well as of the dienophiles play a significant role in the easiness of the reactions and in their mechanism. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Design of Biomolecular Interfaces Using Liquid Crystals Containing Oligomeric Ethylene GlycolADVANCED FUNCTIONAL MATERIALS, Issue 13 2010Zhongqiang Yang Abstract An investigation of nematic liquid crystals (LCs) formed from miscible mixtures of 4-cyano-4,-pentylbiphenyl (5CB) and 2-(2-[2-{2-(2,3-difluoro-4-{4-(4- trans -pentylcyclohexyl)-phenyl-phenoxy)ethoxy}ethoxy]ethoxy)ethanol (EG4-LC) is reported, the latter being a mesogen with a tetra(ethylene glycol) tail. Quantitative characterization of the ordering of this LC mixture at biologically relevant aqueous interfaces reveals that addition of EG4-LC (1%,5% by weight) to 5CB causes a continuous transition in the ordering of the LC from a planar (pure 5CB) to a perpendicular (homeotropic) orientation. The homeotropic ordering is also seen in aqueous dispersions of micrometer-sized droplets of the LC mixture, which exhibit enhanced stability against coalescence. These observations and others, all of which suggest partitioning of the EG4-LC from the bulk of the LC to its aqueous interface, are complemented by measurements of the adsorption of bovine serum albumin to the aqueous,LC interface. Overall, the results demonstrate a general and facile approach to the design of LCs with interfaces that present biologically relevant chemical functional groups, assume well-defined orientations at aqueous interfaces, and lower non-specific protein adsorption. The bulk of the LC serves as a reservoir of EG4-LC, thus permitting easy preparation of these interfaces and the potential for spontaneous repair of the EG4-decorated interfaces during contact with biological systems. [source] Detachment Lithography of Photosensitive Polymers: A Route to Fabricating Three-Dimensional StructuresADVANCED FUNCTIONAL MATERIALS, Issue 2 2010Junghoon Yeom Abstract A technique to create arrays of micrometer-sized patterns of photosensitive polymers on the surface of elastomeric stamps and to transfer these patterns to planar and nonplanar substrates is presented. The photosensitive polymers are initially patterned through detachment lithography (DL), which utilizes the difference in adhesion forces to induce the mechanical failure in the film along the edges of the protruded parts of the mold. A polydimethylsiloxane (PDMS) stamp with a kinetically and thermally adjustable adhesion and conformal contact can transfer the detached patterns to etched or curved substrates, as well as planar ones. These printed patterns remain photochemically active for further modification via photolithography, and/or can serve as resists for subsequent etching or deposition, such that photolithography can be used on highly nonconformal and nonplanar surfaces. Various 3D structures fabricated using the process have potential applications in MEMS (micro-electromechanical systems) sensors/actuators, optical devices, and microfluidics. [source] Photolithography: Fabrication of Flexible Binary Amplitude Masks for Patterning on Highly Curved Surfaces (Adv. Funct.ADVANCED FUNCTIONAL MATERIALS, Issue 20 2009Mater. The front cover image shows a photolithographically defined gold pattern on the curved surface of a cylindrical glass lens (12.5-mm radius) using a photomask made by using the soft lithography protocols reported by Bowen and Nuzzo on page 3243. The described methods provide highly flexible photomasks, of both positive and negative image contrasts, that serve as amplitude masks for large area photolithographic patterning on a variety of curved (and planar) surfaces. [source] | ||||||||||||||||||||||||||||||||||||||||||||||