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Very Efficient (very + efficient)
Terms modified by Very Efficient Selected AbstractsFrequency domain modal analysis of earthquake input energy to highly damped passive control structuresEARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 5 2004Izuru Takewaki Abstract A new complex modal analysis-based method is developed in the frequency domain for efficient computation of the earthquake input energy to a highly damped linear elastic passive control structure. The input energy to the structure during an earthquake is an important measure of seismic demand. Because of generality and applicability to non-linear structures, the earthquake input energy has usually been computed in the time domain. It is shown here that the formulation of the earthquake input energy in the frequency domain is essential for deriving a bound on the earthquake input energy for a class of ground motions and for understanding the robustness of passively controlled structures to disturbances with various frequency contents. From the viewpoint of computational efficiency, a modal analysis-based method is developed. The importance of overdamped modes in the energy computation of specific non-proportionally damped models is demonstrated by comparing the energy transfer functions and the displacement transfer functions. Through numerical examinations for four recorded ground motions, it is shown that the modal analysis-based method in the frequency domain is very efficient in the computation of the earthquake input energy. Copyright © 2004 John Wiley & Sons, Ltd. [source] Working Electrodes from Amalgam Paste for Electrochemical MeasurementsELECTROANALYSIS, Issue 4 2008Bogdan Yosypchuk Abstract Paste electrode with paste amalgam as an active electrode material is described here for the first time. Designed electrode from silver paste amalgam (AgA-PE) is solely metallic and does not contain any organic binder. Mechanical surface regeneration of AgA-PE is performed in the same way as for classical carbon paste electrodes and reproducibility of such regeneration is about 10%. Electrochemical surface regeneration appeared very efficient for most measurements. In dependence on paste metal content, the electrode surface can be liquid (resembling a film) or rather solid. The hydrogen overvoltage on AgA-PE is high, and the electrode allows measurements at highly negative potentials. AgA-PE is well suited for study of reduction or oxidation processes without an accumulation step. Anodic stripping voltammetry of some metals tested on the electrode is influenced by formation of intermetallic compounds. The measurement based on cathodic stripping voltammetry (adenine, cysteine) and on catalytic processes from adsorbed state (complex of osmium tetroxide with 2,2,-bipyridine) can be performed on AgA-PE practically under the same conditions as found earlier for HMDE and for silver solid amalgam electrode. The working electrode from paste amalgam combines the advantages of paste and metal electrodes. [source] Advances in the enantioseparation of second-generation antidepressant drugs by electrodriven methodsELECTROPHORESIS, Issue 1 2006Roberto Mandrioli Abstract Stereochemistry is steadily increasing in importance in the development of new drugs, and the availability of pure enantiomer drugs can make therapy safer and more efficacious. In particular, almost all second-generation antidepressant drugs possess one or more chiral centres; however, only some of them are administered as single enantiomers. A fundamental part of the quality control of pharmaceutical formulations is the determination of enantiomeric excess and enantiomeric purity; this is also important for the therapeutic drug monitoring of depressed patients. For this purpose, efficient and reliable analytical methods are needed and electrodriven techniques (most of all CE, CEC and MEKC) are very efficient and inexpensive candidates for the role. In this review, the enantioselective electrodriven methods available for the analysis of second-generation antidepressant are presented and discussed. In particular, the following pharmacological classes of antidepressants will be considered: selective serotonin reuptake inhibitors (fluoxetine, citalopram, paroxetine, sertraline); norepinephrine reuptake inhibitors (reboxetine); serotonin and norepinephrine reuptake inhibitors (venlafaxine, milnacipran, duloxetine); and noradrenergic and specific serotonergic antidepressants (mirtazapine). [source] Substances with estrogenic activity in effluents of sewage treatment plants in southwestern Germany.ENVIRONMENTAL TOXICOLOGY & CHEMISTRY, Issue 10 2001Abstract The proliferation test with human estrogen receptor-positive MCF-7 breast cancer cells (E-Screen assay) was applied for quantitative determination of total estrogenic activity in 24-h composite effluent samples from 16 municipal and two industrial sewage treatment plants (STPs) in the state of Baden-Württemberg, southwestern Germany. The estrogenic efficacy relative to the positive control, 17,-estradiol, was between 26 and 74% (median, 48%) for the 16 municipal STPs. Estradiol equivalent concentrations (EEQs) were between 0.2 and 7.8 ng/L (median, 1.6 ng/L) and, thereby, were lower than those found in a pilot study, which revealed EEQs of greater than 10 ng/L in the effluents of two other STPs. The EEQs in 14 of the 16 effluent samples were very similar (0.9,3.3 ng/L), indicating a rather constant input of estrogenic substances via STPs into rivers. Additional activated charcoal filtration turned out to be very efficient in further eliminating estrogenic activity from effluents. The EEQs of the E-Screen assay and those calculated from the results of extensive chemical analysis using the estradiol equivalency factors determined for 13 natural and synthetic estrogenic substances were comparable for most of the effluent samples. 17,-Estradiol, 17,-ethinylestradiol, and, to a lesser extent, estrone contributed to 90% or more of the EEQ value. [source] Removing Eye-movement Artifacts from the EEG during the Intracarotid Amobarbital ProcedureEPILEPSIA, Issue 3 2005Weidong Zhou Summary:,Purpose: The EEG is often recorded during the intracarotid amobarbital procedure (IAP) to help in the assessment of the spatial extent and the duration of the effect of the drug. In scalp recordings, the EEG is always heavily contaminated with eye movement artifacts as the patient actively performs visual tasks. Methods: Independent component analysis (ICA) is a new technique for blind source separation. In this study, we separated the EEG data recorded during the IAP into independent components using ICA. The EEG signal was reconstructed by excluding the components related to eye movement and eye blinks. Results: EEGs from 10 IAP tests were analyzed. The experimental results indicate that ICA is very efficient at subtracting eye-movement artifacts, while retaining the EEG slow waves and making their interpretation easier. Conclusions: ICA appears to be a generally applicable and effective method for removing ocular artifacts from EEG recordings during IAP, although slow waves and ocular artifacts share similar frequency distributions. [source] Synthesis and Physicochemical Characterization of Bis(macrocycles) Involving a Porphyrin and a meso -Substituted Corrole , X-ray Crystal Structure of a [(Free-base porphyrin),corrole]bis(pyridine)cobalt ComplexEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 6 2005Jean-Michel Barbe Abstract A very efficient, simple synthesis of face-to-face porphyrin,corrole free-bases bearing substituents at the meso positions of the corrole ring is reported. Starting from the (porphyrin,aldehyde)zinc species 1Zn, porphyrin,corrole free-bases (3M, 3C) are obtained in two steps, in fairly good yields (40,43,%), compared to 11 steps for their corrole ,-pyrrole-substituted counterparts. Moreover, the possibility to directly synthesize the free-base (porphyrin,corrole)cobalt complex (5M or 5C) allows for the further preparation of heterodimetallic derivatives. Crystals of the bis(pyridine) adduct of 5M have been grown; the molecular structure clearly shows that the two pyridine molecules are coordinated to the cobalt ion in endo and exo positions, leading to an open-mouth geometry of the bis(macrocycle). The structure of 5M(py)2also shows intermolecular ,,, interactions along the [1,0,0] direction, leading to stacking of the complexes. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] Hybrid Bioorganic,Inorganic Materials Prepared by Site-Specific Ligation of Peptides to Functionalized Polydisperse Silica ParticlesEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 12 2005Pascal Joly Abstract We describe the synthesis of semicarbazide- or glyoxylyl-functionalized polydisperse silica particles and their use for the preparation of hybrid polypeptide,silica materials. The peptides were attached to the surface of functionalized silicas by site-specific ,-oxo hydrazone or semicarbazone ligation. The reaction of semicarbazide silicas with a model glyoxylyl peptide was found to be very efficient under stoichiometric conditions and led to ligation yields of about 90,%. The use of glyoxylyl silicas and of hydrazinoacetyl peptides led to lower yields. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] Par j 1 and Par j 2, the two major allergens in Parietaria judaica, bind preferentially to monoacylated negative lipidsFEBS JOURNAL, Issue 6 2009Roberto González-Rioja Par j 1 and Par j 2 proteins are the two major allergens in Parietaria judaica pollen, one of the main causes of allergic diseases in the Mediterranean area. Each of them contains eight cysteine residues organized in a pattern identical to that found in plant nonspecific lipid transfer proteins. The 139- and 102-residue recombinant allergens, corresponding respectively to Par j 1 and Par j 2, refold properly to fully functional forms, whose immunological properties resemble those of the molecules purified from the natural source. Molecular modeling shows that, despite the lack of extensive primary structure homology with nonspecific lipid transfer proteins, both allergens contain a hydrophobic cavity suited to accommodate a lipid ligand. In the present study, we present novel evidence for the formation of complexes of these natural and recombinant proteins from Parietaria pollen with lipidic molecules. The dissociation constant of oleyl-lyso-phosphatidylcholine is 9.1 ± 1.2 ,m for recombinant Par j 1, whereas pyrenedodecanoic acid shows a much higher affinity, with a dissociation constant of approximately 1 ,m for both recombinant proteins, as well as for the natural mixture. Lipid binding does not alter the secondary structure content of the protein but is very efficient in protecting disulfide bonds from reduction by dithiothreitol. We show that Par j 1 and Par j 2 not only bind lipids from micellar dispersions, but also are able to extract and transfer negative phospholipids from bilayers. [source] Optimal measurement of relative and absolute delay times by simulated annealingGEOPHYSICAL JOURNAL INTERNATIONAL, Issue 1 2002S. Chevrot Summary Conventional approaches to determine relative arrival times of body waves recorded by a local or a regional array rely on cross-correlations between pairs of traces. This problem is better posed as a non-linear inverse problem, which involves the minimization of a cost function that measures the difference between a reference unknown waveform that can be time delayed, and the observed data. The unknown parameters that are solved for, are the amplitude values at each time sample of the optimal waveform and its time delay defined for each trace. The problem, which has a large number of unknown parameters, is solved with simulated annealing. The algorithm is very efficient and can be used for a routine analysis of seismic data. The application of this method to several earthquakes recorded during different PASSCAL experiments demonstrates that it provides accurate and robust differential traveltime measurements even with very noisy data. [source] Two-Terminal Carbon Nanotube Programmable Devices for Adaptive ArchitecturesADVANCED MATERIALS, Issue 6 2010Guillaume Agnus Carbon nanotube field-effect transistors functionalized with photoconducting polymer act as very efficient and non-volatile two-terminal programmable devices (see figure). Their optoelectronic programmability allows compensating for the critical issue of variability among as-built devices in prototype multi-input circuits, an important milestone toward the realistic use of nano-objects in complex functional circuits such as neuromorphic adaptive nanoarchitectures. [source] Brood reduction in the Red-necked Grebe Podiceps grisegenaIBIS, Issue 2 2003Janusz Kloskowski Brood reduction in Red-necked Grebes Podiceps grisegena breeding on fish ponds in south-eastern Poland occurred either through the desertion of the last-laid eggs after partial hatching of the clutch and/or the selective starvation of the smallest chicks. Abandonment of unhatched eggs was not influenced by the number of young already hatched or by the breeding date, but it was more likely in larger clutches and in families suffering chick starvation. Chicks from the largest broods had a higher probability of survival until fledging than those from single-chick broods. Larger chicks obtained food more successfully through better positioning during food delivery. In families that did not suffer brood reduction, chicks were better provisioned with food than in reduced broods. Although allocation of food among chicks in reduced broods was more skewed to the disadvantage of the younger siblings, dominant chicks obtained less food prior to brood reduction than dominant siblings in unreduced broods. Sibling aggression did not differ between unreduced and reduced broods before death of the weakest chicks. Post-laying adjustment of the number of offspring to prevailing feeding conditions occurred at two stages: by parental manipulation of the number of hatched eggs at the time when parents and chicks leave the nest and by competition between chicks. It is suggested that late egg desertion may be an adaptive mechanism of brood-size adjustment, when elimination of the weakest chicks through sibling competition is not very efficient. [source] A node-based agglomeration AMG solver for linear elasticity in thin bodiesINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 3 2009Prasad S. Sumant Abstract This paper describes the development of an efficient and accurate algebraic multigrid finite element solver for analysis of linear elasticity problems in two-dimensional thin body elasticity. Such problems are commonly encountered during the analysis of thin film devices in micro-electro-mechanical systems. An algebraic multigrid based on element interpolation is adopted and streamlined for the development of the proposed solver. A new node-based agglomeration scheme is proposed for computationally efficient, aggressive and yet effective generation of coarse grids. It is demonstrated that the use of appropriate finite element discretization along with the proposed algebraic multigrid process preserves the rigid body modes that are essential for good convergence of the multigrid solution. Several case studies are taken up to validate the approach. The proposed node-based agglomeration scheme is shown to lead to development of sparse and efficient intergrid transfer operators making the overall multigrid solution process very efficient. The proposed solver is found to work very well even for Poisson's ratio >0.4. Finally, an application of the proposed solver is demonstrated through a simulation of a micro-electro-mechanical switch. Copyright © 2008 John Wiley & Sons, Ltd. [source] Charge distribution on thin conducting nanotubes,reduced 3-D modelINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 5 2006Hui Chen Abstract The subject of this paper is the calculation of charge distribution on the surfaces of thin conducting nanotubes in electrostatic problems, by the boundary element method (BEM). A line model of a nanotube is proposed here. This model overcomes the problem of dealing with nearly singular matrices that occur when the standard BEM is applied to very thin features (objects or gaps). This new approach is also very efficient. Numerical results are presented for selected examples. Copyright © 2006 John Wiley & Sons, Ltd. [source] A finite-strain quadrilateral shell element based on discrete Kirchhoff,Love constraintsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 9 2005Pedro M. A. Areias Abstract This paper improves the 16 degrees-of-freedom quadrilateral shell element based on pointwise Kirchhoff,Love constraints and introduces a consistent large strain formulation for this element. The model is based on classical shell kinematics combined with continuum constitutive laws. The resulting element is valid for large rotations and displacements. The degrees-of-freedom are the displacements at the corner nodes and one rotation at each mid-side node. The formulation is free of enhancements, it is almost fully integrated and is found to be immune to locking or unstable modes. The patch test is satisfied. In addition, the formulation is simple and amenable to efficient incorporation in large-scale codes as no internal degrees-of-freedom are employed, and the overall calculations are very efficient. Results are presented for linear and non-linear problems. Copyright © 2005 John Wiley & Sons, Ltd. [source] Meshfree point collocation method for elasticity and crack problemsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 1 2004Sang-Ho Lee Abstract A generalized diffuse derivative approximation is combined with a point collocation scheme for solid mechanics problems. The derivatives are obtained from a local approximation so their evaluation is computationally very efficient. This meshfree point collocation method has other advantages: it does not require special treatment for essential boundary condition nor the time-consuming integration of a weak form. Neither the connectivity of the mesh nor differentiability of the weight function is necessary. The accuracy of the solutions is exceptional and generally exceeds that of element-free Galerkin method with linear basis. The performance and robustness are demonstrated by several numerical examples, including crack problems. Copyright © 2004 John Wiley & Sons, Ltd. [source] Efficient Polymer Light-Emitting Diode Using Air-Stable Metal Oxides as Electrodes,ADVANCED MATERIALS, Issue 1 2009Henk J. Bolink Poly(phenylenevinylene)-based organic light-emitting diodes (OLEDs) are fabricated using air-stable metal oxides as electrodes, producing very efficient and bright electroluminescent devices. Efficiencies of 8,cd,A,1 and luminances above 20000,cd,m,2 are obtained, comparable to the values reported for classic OLED structures using reactive metals as cathodes. [source] The modeling of realistic chemical vapor infiltration/deposition reactorsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 5 2010John Ibrahim Abstract We describe the low Mach number equations as well as a second-order numerical integration procedure that are used to solve a realistic chemical vapor infiltration/chemical vapor deposition (CVI/CVD) problem. The simulation accounts for a homogeneous gas chemical reaction mechanism, a heterogeneous surface reaction mechanism, and an evolving pore structure model. The numerical solution of the model ultimately leads to the solution of a large system of stiff differential algebraic equations that are to be integrated over a long time. An operator splitting algorithm is employed to deal with the stiffness associated with chemical reactions, whereas a projection method is employed to overcome the difficulty arising from having to solve a large coupled system for velocity and pressure fields. Results show that the proposed integration procedure is very efficient for modeling long time CVI/CVD densification processes. Copyright © 2009 John Wiley & Sons, Ltd. [source] On pressure separation algorithms (PSepA) for improving the accuracy of incompressible flow simulationsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 4 2009S. Turek Abstract We investigate a special technique called ,pressure separation algorithm' (PSepA) (see Applied Mathematics and Computation 2005; 165:275,290 for an introduction) that is able to significantly improve the accuracy of incompressible flow simulations for problems with large pressure gradients. In our numerical studies with the computational fluid dynamics package FEATFLOW (www.featflow.de), we mainly focus on low-order Stokes elements with nonconforming finite element approximations for the velocity and piecewise constant pressure functions. However, preliminary numerical tests show that this advantageous behavior can also be obtained for higher-order discretizations, for instance, with Q2/P1 finite elements. We analyze the application of this simple, but very efficient, algorithm to several stationary and nonstationary benchmark configurations in 2D and 3D (driven cavity and flow around obstacles), and we also demonstrate its effect to spurious velocities in multiphase flow simulations (,static bubble' configuration) if combined with edge-oriented, resp., interior penalty finite element method stabilization techniques. Copyright © 2008 John Wiley & Sons, Ltd. [source] Variance-reduced Monte Carlo solutions of the Boltzmann equation for low-speed gas flows: A discontinuous Galerkin formulationINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 4 2008Lowell L. Baker Abstract We present and discuss an efficient, high-order numerical solution method for solving the Boltzmann equation for low-speed dilute gas flows. The method's major ingredient is a new Monte Carlo technique for evaluating the weak form of the collision integral necessary for the discontinuous Galerkin formulation used here. The Monte Carlo technique extends the variance reduction ideas first presented in Baker and Hadjiconstantinou (Phys. Fluids 2005; 17, art. no. 051703) and makes evaluation of the weak form of the collision integral not only tractable but also very efficient. The variance reduction, achieved by evaluating only the deviation from equilibrium, results in very low statistical uncertainty and the ability to capture arbitrarily small deviations from equilibrium (e.g. low-flow speed) at a computational cost that is independent of the magnitude of this deviation. As a result, for low-signal flows the proposed method holds a significant computational advantage compared with traditional particle methods such as direct simulation Monte Carlo (DSMC). Copyright © 2008 John Wiley & Sons, Ltd. [source] A staggered conservative scheme for every Froude number in rapidly varied shallow water flowsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 12 2003G. S. Stelling Professor Abstract This paper proposes a numerical technique that in essence is based upon the classical staggered grids and implicit numerical integration schemes, but that can be applied to problems that include rapidly varied flows as well. Rapidly varied flows occur, for instance, in hydraulic jumps and bores. Inundation of dry land implies sudden flow transitions due to obstacles such as road banks. Near such transitions the grid resolution is often low compared to the gradients of the bathymetry. In combination with the local invalidity of the hydrostatic pressure assumption, conservation properties become crucial. The scheme described here, combines the efficiency of staggered grids with conservation properties so as to ensure accurate results for rapidly varied flows, as well as in expansions as in contractions. In flow expansions, a numerical approximation is applied that is consistent with the momentum principle. In flow contractions, a numerical approximation is applied that is consistent with the Bernoulli equation. Both approximations are consistent with the shallow water equations, so under sufficiently smooth conditions they converge to the same solution. The resulting method is very efficient for the simulation of large-scale inundations. Copyright © 2003 John Wiley & Sons, Ltd. [source] A fully implicit method for steady and unsteady viscous flow simulationsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 2 2003Jie Li Abstract In this paper a time-accurate, fully implicit method has been applied to solve a variety of steady and unsteady viscous flow problems. It uses a finite volume cell-centred formulation on structured grids and employs central space discretization with artificial dissipation for the residual computation. In order to obtain a second-order time-accurate implicit scheme, a Newton-like subiteration is performed in the original LU-SGS method to converge the calculations at each physical time step by means of a dual-time approach proposed by Jameson. The numerical experiments show that the present method is very efficient, reliable, and robust for steady and unsteady viscous flow simulations, especially for some low speed flow problems. Copyright © 2003 John Wiley & Sons, Ltd. [source] An efficient finite difference scheme for free-surface flows in narrow rivers and estuariesINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 3 2003XinJian ChenArticle first published online: 13 MAY 200 Abstract This paper presents a free-surface correction (FSC) method for solving laterally averaged, 2-D momentum and continuity equations. The FSC method is a predictor,corrector scheme, in which an intermediate free surface elevation is first calculated from the vertically integrated continuity equation after an intermediate, longitudinal velocity distribution is determined from the momentum equation. In the finite difference equation for the intermediate velocity, the vertical eddy viscosity term and the bottom- and sidewall friction terms are discretized implicitly, while the pressure gradient term, convection terms, and the horizontal eddy viscosity term are discretized explicitly. The intermediate free surface elevation is then adjusted by solving a FSC equation before the intermediate velocity field is corrected. The finite difference scheme is simple and can be easily implemented in existing laterally averaged 2-D models. It is unconditionally stable with respect to gravitational waves, shear stresses on the bottom and side walls, and the vertical eddy viscosity term. It has been tested and validated with analytical solutions and field data measured in a narrow, riverine estuary in southwest Florida. Model simulations show that this numerical scheme is very efficient and normally can be run with a Courant number larger than 10. It can be used for rivers where the upstream bed elevation is higher than the downstream water surface elevation without any problem. Copyright © 2003 John Wiley & Sons, Ltd. [source] A method for fast simulation of multiple catastrophic faults in analogue circuitsINTERNATIONAL JOURNAL OF CIRCUIT THEORY AND APPLICATIONS, Issue 3 2010Micha, Tadeusiewicz Abstract The paper offers an efficient method for simulation of multiple catastrophic faults in linear AC circuits. The faulty elements are either open circuits or short circuits. The method exploits the well-known Householder formula in matrix theory to find the node voltages deviations due to the perturbations of some circuit elements. The main achievement of the paper is a systematic method for performing the simulation of all combinations of the multiple catastrophic faults. The method includes two new procedures enabling us to find very efficiently the node impedance matrix of the nominal circuit and inverses of some matrices corresponding to different fault combinations. The procedures are the crucial point of this approach and make it very efficient. Consequently, the amount of the computing power needed to carry out all the simulations is significantly reduced. Numerical examples illustrating the proposed approach are provided. Copyright © 2008 John Wiley & Sons, Ltd. [source] Wavelet-based adaptive vector quantization for still-image codingINTERNATIONAL JOURNAL OF IMAGING SYSTEMS AND TECHNOLOGY, Issue 4 2002Wen-Shiung Chen Abstract Wavelet transform coding (WTC) with vector quantization (VQ) has been shown to be efficient in the application of image compression. An adaptive vector quantization coding scheme with the Gold-Washing dynamic codebook-refining mechanism in the wavelet domain, called symmetric wavelet transform-based adaptive vector quantization (SWT-GW-AVQ), is proposed for still-image coding in this article. The experimental results show that the GW codebook-refining mechanism working in the wavelet domain rather than the spatial domain is very efficient, and the SWT-GW-AVQ coding scheme may improve the peak signal-to-noise ratio (PSNR) of the reconstructed images with a lower encoding time. © 2002 Wiley Periodicals, Inc. Int J Imaging Syst Technol 12, 166,174, 2002; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/ima.10024 [source] Efficient computation for the noisy MAXINTERNATIONAL JOURNAL OF INTELLIGENT SYSTEMS, Issue 2 2003Francisco J. Díez Díez's algorithm for the noisy MAX is very efficient for polytrees, but when the network has loops, it has to be combined with local conditioning, a suboptimal propagation algorithm. Other algorithms, based on several factorizations of the conditional probability of the noisy MAX, are not as efficient for polytrees but can be combined with general propagation algorithms such as clustering or variable elimination, which are more efficient for networks with loops. In this article we propose a new factorization of the noisy MAX that amounts to Díez's algorithm in the case of polytrees and at the same time is more efficient than previous factorizations when combined with either variable elimination or clustering. © 2003 Wiley Periodicals, Inc. [source] Efficient and Highly Chemoselective Direct Reductive Amination of Aldehydes using the System Silane/Oxorhenium ComplexesADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 13 2010Sara C. A. Sousa Abstract This work reports a novel method for direct reductive amination of aldehydes with silanes catalyzed by several high-valent oxorhenium(V) and oxorhenium(VII) complexes. The catalytic system PhSiH3/ReIO2(PPh3)2 (2.5,mol%) was very efficient for the synthesis of secondary amines and highly chemoselective, tolerating a wide range of functional groups such as NO2, CF3, SO2R, CO2R, F, Cl, Br, I, CN, OH, OCH3, SCH3, NCOR, and double bonds. This novel method was also employed in the synthesis of tertiary amines with moderate yields. [source] Polystyrene-Supported Amino Acids as Efficient Catalyst for Chemical Fixation of Carbon DioxideADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 11-12 2010Chaorong Qi Abstract Four new polystyrene-supported amino acids have been synthesized and applied to the chemical fixation of carbon dioxide for the first time. Two series of experiments with polystyrene-supported threonine (PS-Thr) and polystyrene-supported tyrosine (PS-Tyr) as catalyst, respectively, were conducted to study the effect of the reaction conditions on the carboxylation of propylene oxide/carbon dioxide. There was no considerable decrease in the yield of propylene carbonate after the polystyrene-supported amino acids were used five times, indicating that these catalysts are very stable. It was demonstrated that these catalysts were very efficient in the carboxylation of various epoxides and aziridines with carbon dioxide under mild conditions without any solvents. The mechanism for this carboxylation is also discussed. [source] Clock synchronization using a linear process modelINTERNATIONAL JOURNAL OF NETWORK MANAGEMENT, Issue 1 2006James Aweya In this paper, we present a clock synchronization scheme based on a simple linear process model which describes the behaviors of clocks at a transmitter and a receiver. In the clock synchronization scheme, a transmitter sends explicit time indications or timestamps to a receiver, which uses them to synchronize its local clock to that of the transmitter. Here, it is assumed that there is no common network clock available to the transmitter and the receiver and, instead, the receiver relies on locking its clock to the arrival of the timestamps sent by the transmitter. The clock synchronization algorithm used by the receiver is based on a weighted least-squares criterion. Using this algorithm, the receiver observes and processes several consecutive clock samples (timestamps) to generate accurate timing signals. This algorithm is very efficient computationally, and requires the storage of only a small number of clock samples in order to generate accurate timing signals. Copyright © 2006 John Wiley & Sons, Ltd. [source] Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: a helium dimer study,INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 12 2008gorzata Jeziorska Abstract Effectiveness of various extrapolation schemes in predicting complete basis set (CBS) values of interaction energies has been investigated for the helium dimer as a function of interatomic separation R. The investigations were performed separately for the leading dispersion and exchange contributions to the interaction energy and for the interaction energy computed using the coupled cluster method with single and double excitations (CCSD). For all these contributions, practically exact reference values were obtained from Gaussian-type geminal calculations. Sequences of orbital basis sets augmented with diffuse and bond functions or augmented with two sets of diffuse functions have been employed, with the cardinal numbers up to X = 7. The functional form EX = ECBS + A(X , k),, was applied for the extrapolations, where EX is the contribution to the interaction energy computed with a basis set of cardinal number X. The main conclusion of this work is that CBS extrapolations of an appropriate functional form generally improve the accuracy of the interaction energies at a very small additional computational cost (of the order of 10%) and should be recommended in calculations of interatomic and intermolecular potentials. The effectiveness of the extrapolations significantly depends, however, on the interatomic separation R and on the composition of the basis set. Basis sets with midbond functions, well known to provide at a given size much more accurate nonextrapolated results than bases lacking such functions, have been found to perform best also in extrapolations. The X,1 extrapolations of dispersion energies computed with midbond function turned out to be very efficient (except at large R), reducing the errors by an order of magnitude for small X and a factor of two for large X (where the errors of nonextrapolated results are already very small). If midbond functions are not used, the X,3 formula is most appropriate for the dispersion energies. For the exchange component of the interaction energy, the best results are obtained,in both types of basis sets,with the X,4 extrapolation, which leads (in both cases) to almost an order of magnitude reduction of the error. The X,3 and (X , 1),3 extrapolations work also well, but give smaller improvements. The correlation component of the CCSD interaction energy extrapolates best with , between 2 and 3 for bases with midbond functions and between 3 and 4 for bases without such functions. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 [source] Efficient Hydroformylation in Dense Carbon Dioxide using Phosphorus Ligands without Perfluoroalkyl SubstituentsADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 9 2009Ard C. Abstract Rhodium catalysts modified with triphenylphosphine, triphenyl phosphite, and tris(2,4-di- tert -butylphenyl) phosphite have been evaluated for their performance in the hydroformylation of 1-octene using carbon dioxide as the solvent. It is demonstrated that these catalysts are very efficient for the hydroformylation in carbon dioxide, although they are not designed for use in this medium. In particular, the catalyst prepared in situ from dicarbonyl(2,4-pentanedione)rhodium(I) and tris(2,4-di- tert -butyl-phenyl) phosphite gave rise to an initial turnover frequency in excess of 3×104,molaldehyde,molRh,h,1. Such a reaction rate is unprecedented for hydroformylation in supercritical carbon dioxide-rich reaction mixtures. 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