On global Strichartz estimates for non-trapping metrics

We prove global Strichartz estimates (with spectral cutoff on the low frequencies) for non-trapping metric perturbations of the Schrödinger equation, posed on the Euclidean space.     

Rapid analysis of six phthalate esters in wine by ultrasound-vortex-assisted dispersive liquid–liquid micro-extraction coupled with gas chromatography-flame ionization detector or gas chromatography–ion trap mass spectrometry

An Ultrasound-Vortex-Assisted Dispersive Liquid–Liquid Micro-Extraction (USVADLLME) procedure coupled with Gas Chromatography-Flame Ionization Detector (GC-FID) or Gas Chromatography-Ion Trap Mass Spectrometry (GC-IT/MS) is proposed for rapid analysis of six phthalate esters in hydroalcoholic beverages (alcohol by volume, alc vol⁻¹, ≤40%). Under optimal conditions, the enrichment factor of the six analytes ranges from 220- to 300-fold and the recovery from 85% to 100.5%. The limit of detection (LOD) and limit of quantification (LOQ) are ≥0.022 μg L⁻¹ and ≥0.075 μg L⁻¹, respectively. Intra-day and inter-day precisions expressed as relative standard deviation (RSD), are ≤8.2% and ≤7.0%, respectively. The whole proposed methodology has demonstrated to be simple, reproducible and sensible for the determination of trace phthalate esters in red and white wine samples.     

An adaptive remeshing strategy for viscoelastic fluid flow simulations

In the last few years, we have developed a fairly general adaptive finite element solution procedure which can be applied to a large variety of problems. In this paper, this strategy is briefly recalled and applied to the solution of two-dimensional viscoelastic fluid flow problems. A log-conformation formulation recently introduced by Fattal and Kupferman [R. Fattal, R. Kupferman, Time-dependent simulation of viscoelastic flows at high Weissenberg number using the log-conformation representation, J. Non-Newtonian Fluid Mech. 126 (2005) 23-37] was implemented in order to improve the convergence properties of the numerical scheme. We confirm some results obtained in Hulsen, Fattal and Kupferman [M. Hulsen, R. Fattal, R. Kupferman, Flow of viscoelastic fluids past a cylinder at high Weissenberg number: stabilized simulations using matrix logarithm, J. Non-Newtonian Fluid Mech. 127 (2005) 27-39] and in some instances, we show that mesh adaptation allows to almost automatically reproduce accurate results obtained on very fine structured meshes.     

Verification of a mixed high‐order accurate DNS code for laminar turbulent transition by the method of manufactured solutions

This paper presents results on a verification test of a Direct Numerical Simulation code of mixed high‐order of accuracy using the method of manufactured solutions (MMS). This test is based on the formulation of an analytical solution for the Navier–Stokes equations modified by the addition of a source term. The present numerical code was aimed at simulating the temporal evolution of instability waves in a plane Poiseuille flow. The governing equations were solved in a vorticity–velocity formulation for a two‐dimensional incompressible flow. The code employed two different numerical schemes. One used mixed high‐order compact and non‐compact finite‐differences from fourth‐order to sixth‐order of accuracy. The other scheme used spectral methods instead of finite‐difference methods for the streamwise direction, which was periodic. In the present test, particular attention was paid to the boundary conditions of the physical problem of interest. Indeed, the verification procedure using MMS can be more demanding than the often used comparison with Linear Stability Theory. That is particularly because in the latter test no attention is paid to the nonlinear terms. For the present verification test, it was possible to manufacture an analytical solution that reproduced some aspects of an instability wave in a nonlinear stage. Although the results of the verification by MMS for this mixed‐order numerical scheme had to be interpreted with care, the test was very useful as it gave confidence that the code was free of programming errors. Copyright © 2009 John Wiley & Sons, Ltd.     

Efficient preconditioning techniques for finite‐element quadratic discretization arising from linearized incompressible Navier–Stokes equations

We develop an efficient preconditioning techniques for the solution of large linearized stationary and non‐stationary incompressible Navier–Stokes equations. These equations are linearized by the Picard and Newton methods, and linear extrapolation schemes in the non‐stationary case. The time discretization procedure uses the Gear scheme and the second‐order Taylor–Hood element P₂?P₁ is used for the approximation of the velocity and the pressure. Our purpose is to develop an efficient preconditioner for saddle point systems. Our tools are the addition of stabilization (penalization) term r?(div(·)), and the use of triangular block matrix as global preconditioner. This preconditioner involves the solution of two subsystems associated, respectively, with the velocity and the pressure and have to be solved efficiently. Furthermore, we use the P₁?P₂ hierarchical preconditioner recently proposed by the authors, for the block matrix associated with the velocity and an additive approach for the Schur complement approximation. Finally, several numerical examples illustrating the good performance of the preconditioning techniques are presented. Copyright © 2009 John Wiley & Sons, Ltd.     

Protection of aluminum hydroxide during lyophilisation as an adjuvant for freeze-dried vaccines

Lyophilisation of an aluminum hydroxide adjuvant containing formulation for use in vaccine development has been investigated. Novel formulation approaches using disaccharides, polysaccharides, polyols and polymers have been investigated as stabilising excipients to prevent aluminum hydroxide adjuvant from aggregation during a freeze–thaw cycle or the lyophilisation process itself. Amorphous character of the lyophilisates was investigated by wide angle X-ray diffraction. Sedimentation assay, particle size analysis and optical microscopy could show that aluminum adjuvant gel character of selected formulations could be maintained within acceptable quality or stayed the same in some cases. In principle, it could be demonstrated that not less than 10% excipient is necessary to yield good results within applied analytics evaluating the excipients’ protecting qualities. Based on results obtained by this study, the formulations containing trehalose at a concentration of 15 or 20%, dextran, PVP K 25, HES 450 and 200, saccharose and sorbitole along with polysorbate 80 and buffer promise to be good candidates for the protection of aluminum adjuvanted vaccines during exposure to coldness stresses as during freezing or lyophilisation.     

A generic approach for expanding homolog-targeted residue screening of sulfonamides using a fast matrix separation and class-specific fragmentation-dependent acquisition with a hybrid quadrupole-linear ion trap mass spectrometer

A generic and efficient homolog-targeted approach was used to expand screening and detection of target class of sulfonamides and structural analogs, based on a fast single-tube extraction/partitioning-multifunction adsorption cleanup (SEP/MAC) for class-specific fragmentation-dependent acquisition with a liquid chromatography–hybrid triple-quadrupole linear ion trap mass spectrometer (LC–QqLIT). By combining the two-stage process conducted in a single tube as one-pot protocol, the straightforward SEP/MAC procedure was optimized to offer clean extracts with reasonable recovery (71–109% with RSDs < 20%) and decreased matrix interferences (−9 to 19%) of multiresidual sulfonamide extraction from different tissue samples. The novel use of neutral loss scan of 66 Da (NLS) or precursor ion scanning of m/z 108 (PreS) in positive ion mode was found to achieve more comprehensive coverage of protonated molecular ions of a wide array of sulfonamides including N⁴-acetyl and hydroxylamine metabolites plus their possible dimers. Moreover, the PreS-triggered automatically enhanced product ion spectral acquisition enabled simultaneous screening, profiling and confirmation of an unlimited number of analytes belonging to the sulfonamide class within a single analysis. The validation and application results of the generic SEP/MAC-based LC–QqLIT strategy consistently demonstrated favorable performances with acceptable accuracy (67–116%), precision (RSDs < 25%), and sensitivity (LOQs ≤ 7.5 ng g⁻¹) to meet the acceptance criteria for all the sulfonamide–tissue combinations. Thus, the integration of the matrix-independent SEP/MAC procedure and the multiparameter matching algorithm with the unit-resolution LC–QqLIT instrument can serve as a valuable semi-targeted discovery strategy for rapid screening and reliable quantitative/confirmatory analysis of real samples.     

Determination of perfluorocarboxylic acids in water by ion-pair dispersive liquid–liquid microextraction and gas chromatography–tandem mass spectrometry with injection port derivatization

A novel technique for derivatization in a gas chromatograph injection port after a one-step extraction of trace perfluorocarboxylic acids (PFCAs) in water with ion pair formation during dispersive liquid–liquid microextraction (DLLME) was investigated. Tetrabutylammonium hydrogen sulfate (TBAHS) was used as the ion pair reagent. PFCA butyl ester derivatives were formed in the GC injection port and then analyzed using gas chromatography coupled to tandem mass spectrometry with negative chemical ionization. According to our analysis, the operative linear range for PFCA detection from 250 pg mL⁻¹ to 2 μg mL⁻¹ with a relative standard derivation (RSD) below 13%. Detection limits were achieved at the level of 37–51 pg mL⁻¹. This method was successfully applied for the analyzing of PFCAs in river water samples from urban and industrial areas without tedious pretreatment. The concentration range over which PFCAs were detected is from 0.6 ng mL⁻¹ to 604.9 ng mL⁻¹.     

Dispersive Liquid–Liquid Microextraction of Silver Prior to Determination by Microsample Introduction-Flame Atomic Absorption Spectrometry

Abstract

A new simple and sensitive method has been proposed for rapid determination of trace levels of silver in environmental water samples, using dispersive liquid–liquid microextraction (DLLME) prior to its microsample introduction-flame atomic absorption spectrometry. Under the optimum conditions, the linear range was 0.1–7 µg L^?1 and limit of detection was 0.018 µg L^?1. The relative standard deviation for 0.50 and 5.00 µg L^?1 of silver in water sample was 4.0 and 1.7%, respectively. The relative recoveries of silver from tap, well, river, and seawater samples at spiking levels of 1.00 and 5.00 µg L^?1 were in the range of 86.4–98.6%.