bluuebunny/crossref_metadata_2025_split huggingface dataset:
An iterative regularization method for inverse phonon radiative transport problem in nanoscale thin films
Authors: Huang Cheng‐Hung , Chen Kuan‐Yu 
Published: August 2006

AbstractAn inverse phonon radiative transport problem with an alternative form of adjoint equation is solved in this study by using conjugate gradient method (CGM) to estimate the unknown boundary temperature distributions, based on the phonon intensity measurements. The CGM in dealing with the present integro‐differential governing equations is not as straightforward as for the normal differential equations; special treatments are needed to overcome the difficulties. Results obtained in this inverse analysis will be justified based on the numerical experiments where two different unknown temperature (or phonon intensity) distributions are to be determined. Finally, it is shown that accurate boundary temperatures can always be obtained with CGM. Copyright © 2006 John Wiley & Sons, Ltd.
Implementation of an exact finite reduction scheme for steady‐state reaction‐diffusion equations
Authors: Cardin Franco , Lovison Alberto , Putti Mario 
Published: August 2006

AbstractIn this paper we propose the numerical solution of a steady‐state reaction‐diffusion problem by means of application of a non‐local Lyapunov–Schmidt type reduction originally devised for field theory. A numerical algorithm is developed on the basis of the discretization of the differential operator by means of simple finite differences. The eigendecomposition of the resulting matrix is used to implement a discrete version of the reduction process. By the new algorithm the problem is decomposed into two coupled subproblems of different dimensions. A large subproblem is solved by means of a fixed point iteration completely controlled by the features of the original equation, and a second problem, with dimensions that can be made much smaller than the former, which inherits most of the non‐linear difficulties of the original system. The advantage of this approach is that sophisticated linearization strategies can be used to solve this small non‐linear system, at the expense of a partial eigendecomposition of the discretized linear differential operator. The proposed scheme is used for the solution of a simple non‐linear one‐dimensional problem. The applicability of the procedure is tested and experimental convergence estimates are consolidated. Numerical results are used to show the performance of the new algorithm. Copyright © 2006 John Wiley & Sons, Ltd.
An improved discrete Kirchhoff quadrilateral element based on third‐order zigzag theory for static analysis of composite and sandwich plates
Authors: Kapuria S. , Kulkarni S. D. 
Published: August 2006

AbstractA new improved discrete Kirchhoff quadrilateral element based on the third‐order zigzag theory is developed for the static analysis of composite and sandwich plates. The element has seven degrees of freedom per node, namely, the three displacements, two rotations and two transverse shear strain components at the mid‐surface. The usual requirement of C1 continuity of interpolation functions of the deflection in the third‐order zigzag theory is circumvented by employing the improved discrete Kirchhoff constraint technique. The element is free from the shear locking. The finite element formulation and the computer program are validated by comparing the results for simply supported plate with the analytical Navier solution of the zigzag theory. Comparison of the present results with those using other available elements based on zigzag theories for composite and sandwich plates establishes the superiority of the present element in respect of simplicity, accuracy and computational efficiency. The accuracy of the zigzag theory is assessed by comparing the finite element results of the square all‐round clamped composite plates with the converged three‐dimensional finite element solution obtained using ABAQUS. The comparisons also establish the superiority of the zigzag theory over the smeared third‐order theory having the same number of degrees of freedom. Copyright © 2006 John Wiley & Sons, Ltd.
A minimal element distortion strategy for computational mesh dynamics
Authors: López Ezequiel J. , Nigro Norberto M. , Storti Mario A. , Toth Jorge A. 
Published: August 2006

AbstractMesh motion strategy is one of the key points in many fluid–structure interaction (FSI) problems. Due to the increasing application of FSI to solve the current challenging engineering problems, this topic has become of great interest. There are several different strategies to solve this problem, some of them use a discrete and lumped spring–mass system to propagate the boundary motion into the volume mesh, and many others use an elastostatic problem to deform the mesh. In all these strategies there is always risk of producing an invalid mesh, i.e. a mesh with some elements inverted. Normally this condition is irreversible and once an invalid mesh is obtained it is difficult to continue.In this paper the mesh motion strategy is defined as an optimization problem. By its definition this strategy can be classified as a particular case of an elastostatic problem where the material constitutive law is defined in terms of the minimization of certain energy functional that takes into account the degree of element distortion. Some advantages of this strategy are its natural tendency to high quality meshes, its robustness and its straightforward extension to 3D problems. Several examples included in this paper show these capabilities.Even though this strategy seems to be very robust it is not able to recover a valid mesh starting from an invalid one. This improvement is left for future work. Copyright © 2006 John Wiley & Sons, Ltd.
Does professional‐centred training improve consultation outcomes?
Authors: Parkin T , Barnard K , Cradock S , Pettman P , Skinner Tc 
Published: August 2006

AbstractThis study aimed to examine whether professional‐centred training improves consultation outcomes.Using a pre‐ and post‐data collection design, immediately after consultations, professionals and patients completed a consultation review sheet which was coded for the level of agreement on issues discussed and decisions made. Patients also completed the Health Care Climate Questionnaire (HCCQ). Pre‐training results were fed back to the professionals to provide an objective measure of current practice. Training day one comprised 10 minutes' observation of videoed consultations of each professional in order to identify strengths and training needs. Each professional identified key areas of their consultation that they felt needed further development. Training day two centred on goal setting and negotiating agendas as these were identified as priority areas requiring more skills.Data from 110 baseline and 73 follow‐up consultations were collected. The HCCQ showed no significant difference between baseline and follow up. Non‐parametric tests indicated that the level of agreement on decisions had improved (Mann‐Whitney U = 951; p = 0.002; χ2 = 3.67; df = 2; p = 0.026). The number of consultations where complete disagreement occurred between the patient and professional, on decisions made, reduced from 17% at baseline to 11% at follow up.It was concluded that professional‐centred training can be effective in improving patients' perceptions of the consultation, and in increasing patient/professional agreement on recall of decisions made. Copyright © 2006 John Wiley & Sons, Ltd.
Mechanical properties and morphological behavior of calcium carbonate‐filled polypropylene in dynamic injection molding
Authors: Wang Quan , Qu Jinping 
Published: August 2006

AbstractA custom‐made electromagnetic dynamic injection molding machine was adopted to study the mechanical properties and morphological behavior of calcium carbonate‐filled polypropylene (PP) in a dynamic injection molding process. The influence of vibration amplitude and frequency on the mechanical properties and morphological behavior of samples was investigated using tensile tests, notched Izod impact tests, differential scanning calorimetry, and scanning electronic microscopy. The tensile stress and the impact stress for all samples investigated were found to increase in a nonlinear manner with increasing vibration amplitude and frequency. The tensile stress reached a maximum value at about 8 Hz and 0.15 mm for neat PP and PP filled with 3, 20, and 30 wt% CaCO3. For PP filled with 40 wt% CaCO3, the tensile stress reached a maximum value at about 12 Hz and 0.2 mm. The impact stress reached a maximum value at about 12 Hz. From DSC experiments it was shown that the melting temperature slightly increased, but no new polymeric crystalline peak appeared under the vibration force field. The CaCO3 particles were diffused easily and distributed evenly in the PP melt under the vibration force field, so it is very useful in improving the quality of injection products. Copyright © 2006 Society of Chemical Industry
A measuring system for the fast simultaneous isotope ratio and elemental analysis of carbon, hydrogen, nitrogen and sulfur in food commodities and other biological material
Authors: Sieper Hans‐Peter , Kupka Hans‐Joachim , Williams Tony , Rossmann Andreas , Rummel Susanne , Tanz Nicole , Schmidt Hanns‐Ludwig 
Published: August 2006

AbstractThe isotope ratio of each of the light elements preserves individual information on the origin and history of organic natural compounds. Therefore, a multi‐element isotope ratio analysis is the most efficient means for the origin and authenticity assignment of food, and also for the solution of various problems in ecology, archaeology and criminology. Due to the extraordinary relative abundances of the elements hydrogen, carbon, nitrogen and sulfur in some biological material and to the need for individual sample preparations for H and S, their isotope ratio determination currently requires at least three independent procedures and approximately 1 h of work. We present here a system for the integrated elemental and isotope ratio analysis of all four elements in one sample within 20 min. The system consists of an elemental analyser coupled to an isotope ratio mass spectrometer with an inlet system for four reference gases (N2, CO2, H2 and SO2). The combustion gases are separated by reversible adsorption and determined by a thermoconductivity detector; H2O is reduced to H2. The analyser is able to combust samples with up to 100 mg of organic material, sufficient to analyse samples with even unusual elemental ratios, in one run. A comparison of the isotope ratios of samples of water, fruit juices, cheese and ethanol from wine, analysed by the four‐element analyser and by classical methods and systems, respectively, yielded excellent agreements. The sensitivity of the device for the isotope ratio measurement of C and N corresponds to that of other systems. It is less by a factor of four for H and by a factor of two for S, and the error ranges are identical to those of other systems. Copyright © 2006 John Wiley & Sons, Ltd.
Mass spectrometry study of hemoglobin‐oxaliplatin complexes in colorectal cancer patients and potential association with chemotherapeutic responses
Authors: Mandal Rupasri , Sawyer Michael B. , Li Xing‐Fang 
Published: August 2006

AbstractOxaliplatin is the most active platinum (Pt)‐containing anticancer drug for the treatment of advanced colorectal cancer. We report here the study of potential association of the levels of oxaliplatin‐protein complexes in 19 cancer patients with treatment efficacy using size‐exclusion high‐performance liquid chromatography with inductively coupled plasma mass spectrometry (HPLC/ICPMS) and nanoelectrospray ionization mass spectrometry (nanoESI‐MS) techniques. Blood samples from 19 colorectal cancer patients were collected at 1 and 48 h after the first infusion of oxaliplatin. HPLC/ICPMS quantification of the oxaliplatin‐protein complexes showed that the levels of Pt‐protein complexes in plasma samples at 48 h were reduced by approximately 50% compared to those at 1 h, whereas those in hemolysates did not change significantly. The concentrations of hemoglobin (Hb)‐oxaliplatin complexes determined by HPLC/ICPMS ranged from 3.1 to 8.7 µM. NanoESI‐MS analysis of the patient hemolysates showed three distinct mass spectral profiles of the Hb‐oxaliplatin complexes: (1) 1:1, (2) 1:1 with 1:2, and (3) multiple complexes of 1:1, 1:2, 1:3, and 1:4, corresponding to the Hb‐oxaliplatin complex concentrations determined by HPLC/ICPMS. Potential association of variables including Hb‐oxaliplatin complex concentrations with time to progress as the treatment efficacy indicator was analyzed using the Cox model. Multivariate analysis of the potential predictors showed that the statistically significant variables were Hb‐oxaliplatin complex concentration (p = 0.02), performance status (p = 0.02), baseline neutrophil count (p = 0.05), and the site of the primary cancer (colon vs. rectal, p = 0.01). The hazard ratio for the concentration of the Hb‐oxaliplatin complexes was 2.4, suggesting that the risk of cancer progression significantly increased with increasing of Hb‐oxaliplatin complexes in patients. These results demonstrate that the level of the Hb‐oxaliplatin complexes in erythrocytes is a potential biomarker for indicating inter‐patient variations in oxaliplatin treatment efficacy. Copyright © 2006 John Wiley & Sons, Ltd.
Determination of levetiracetam in human plasma by liquid chromatography/electrospray tandem mass spectrometry and its application to bioequivalence studies
Authors: Jain Deepak S. , Subbaiah Gunta , Sanyal Mallika , Pal Usha , Shrivastav Pranav S. 
Published: August 2006

AbstractThe first liquid chromatography/tandem mass spectrometry (LC/MS/MS) method for the determination of levetiracetam, an antiepileptic drug, in human plasma is described. The plasma filtrate obtained after solid‐phase extraction (SPE), using a polymer‐based, hydrophilic‐lipophilic balanced (HLB) cartridge, was submitted directly to a short column LC/MS/MS assay. There was no significant matrix effect on the analysis. For validation of the method, the recovery of the free analytes was compared to that from an optimized extraction method, and the analyte stability was examined under conditions mimicking sample storage, handling, and analytical procedures. The extraction procedure yielded extremely clean extracts with a recovery of 79.95% and 89.02% for levetiracetam and the internal standard (IS), respectively. The intra‐assay and inter‐assay precision for the samples at the lower limit of quantitation (LLOQ) were 6.33 and 6.82%, respectively. The calibration curves were linear for the dynamic range of 0.5 to 50 µg/mL with a correlation coefficient r ≥ 0.9971. The intra‐assay accuracy at LLOQ, LQC, MQC, and HQC levels ranged from 81.60 to 95.40, 93.00 to 103.47, 95.97 to 104.09, and 91.15 to 95.18%, respectively, while the inter‐assay accuracy at LLOQ, LQC, MQC and HQC levels varied from 80.20 to 95.40, 88.53 to 107.53, 95.97 to 108.45, and 91.15 to 112.70%, respectively. The method is rugged and fast with a total instrumental run time of 2 min. The method was successfully applied for bioequivalence studies in human subject samples after oral administration of 1000 mg immediate release (IR) formulations. Copyright © 2006 John Wiley & Sons, Ltd.
Electron ionization mass spectra of 8‐aryl‐3,4‐dioxo‐2H,8H‐6,7‐dihydroimidazo[2,1‐c][1,2,4]triazines. Do they exhibit tautomerism in the gas phase?
Authors: Martiskainen Olli , Sztanke Krzysztof , Matosiuk Dariusz , Pihlaja Kalevi 
Published: August 2006

AbstractThe electron ionization mass spectra of the title compounds (1: a R = H, b 2‐CH3, c 4‐CH3, d 2,3‐diMe, e 2‐OCH3, f 4‐OCH3, g 2‐Cl, h 3‐Cl, i 4‐Cl, j 3,4‐diCl) were recorded at 70 eV to determine the effects of substituents and the possible keto‐enol tautomerism. The compounds showed several common fragment ions but also fragment ions which divided them into three classes, namely 1a–1d (parent compound and Me‐substituted derivatives), 1e and 1f (MeO‐substituted derivatives), and 1g–1j (Cl‐substituted derivatives). The presence of the HOCN+. ion as well as the exponential dependence of its total ion current in the case of p‐ and also 3‐Cl‐substituted compounds (1a, c, f, h–j) on the Hammett σ constants and the loss of CHO or one or two HOCN moieties can be somewhat easier explained by the presence of the enol form but as a whole the results support the predominance of the keto form, in parallel to the situation in solution. Copyright © 2006 John Wiley & Sons, Ltd.
The effect of growth rate on tissue‐diet isotopic spacing in rapidly growing animals. An experimental study with Atlantic salmon (Salmo salar)
Authors: Trueman Clive N. , McGill Rona A. R. , Guyard Philippe H. 
Published: August 2006

AbstractThe original article to which this Erratum refers was published in Rapid Commun. Mass Spectrom. 2005; 19: 3239–3247
Antiviral drugs for cytomegalovirus in transplant recipients: advantages of preemptive therapy
Authors: Singh Nina 
Published: August 2006

AbstractCurrently available, potent antiviral agents have proven highly effective for the prevention of CMV disease during the time that prophylaxis is employed. However, late‐onset CMV disease, occurring in 5–18% of the patients, has emerged as a significant complication in organ transplant recipients receiving prophylaxis. Complete suppression of the virus with long‐term use of a potent antiviral agent may be less conducive to antigen‐induced priming of host responses, which may explain why there is a greater likelihood of late‐onset CMV disease. On the other hand, allowing controlled low‐level viral replication, implicit in the strategy of preemptive therapy, may facilitate CMV‐specific immune reconstitution and have a mitigating effect on the risk of late‐onset CMV disease. Preemptive therapy with valganciclovir appears less likely to be associated with CMV disease, largely due to a lower incidence of late‐onset CMV disease. Emerging data, documenting that CMV disease in the era of prophylaxis with potent antiviral agents is an independent contributor to mortality, particularly infection‐associated mortality, stands to challenge the notion that prophylaxis is more likely to have a beneficial effect on CMV‐related secondary outcomes. Preemptive therapy is a more logical and theoretically more appealing approach for the prevention of CMV disease in transplant recipients. Published in 2006 by John Wiley & Sons, Ltd.
A comparative study of the risk of malignancy index and the ovarian crescent sign for the diagnosis of invasive ovarian cancer
Authors: Yazbek J. , Aslam N. , Tailor A. , Hillaby K. , Raju K. S. , Jurkovic D. 
Published: August 2006

AbstractObjectiveTo compare the value of the risk of malignancy index (RMI) and the ovarian crescent sign (OCS) in the diagnosis of ovarian malignancy.MethodsThis was a prospective observational study of women with ultrasonographic diagnosis of an ovarian cyst. The RMI was calculated in all cases using a previously published formula (RMI = U (ultrasound score) × M (menopausal status) × serum CA125 (kU/L)). A value > 200 was considered to be diagnostic of ovarian cancer. The OCS was defined as a rim of visible healthy ovarian tissue in the ipsilateral ovary. Its absence was taken as being diagnostic of invasive cancer.ResultsA total of 106 consecutive women were included in the study, of whom 92 (86.8%) had a benign ovarian tumor, five (4.7%) had borderline lesions and nine (8.5%) had an invasive ovarian cancer. The absence of an OCS diagnosed invasive ovarian cancer with a sensitivity of 100% (95% CI, 70–100%), specificity of 93% (95% CI, 86–96%), positive predictive value (PPV) of 56%, negative predictive value (NPV) of 100% and positive likelihood ratio (LR+) of 13.86 (95% CI, 6.79–28.29). This compared favorably with a sensitivity of 89% (95% CI, 57–98%), specificity of 92% (95% CI, 85–96%), PPV of 50%, NPV of 99% and LR+ of 10.78 (95% CI, 5.34–21.77), which were achieved using RMI > 200 (P < 0.01).ConclusionsThe RMI and the OCS are useful tests for discriminating between invasive and non‐invasive ovarian tumors. The application of these tests in a sequential manner might improve the overall accuracy of ovarian cancer diagnosis. Copyright © 2006 ISUOG. Published by John Wiley & Sons, Ltd.
Chemischer Transport ternärer Oxide im System Ni/Mo/O – Experimente und Modellrechnungen
Authors: Steiner Udo , Reichelt Werner 
Published: August 2006

AbstractChemical Vapour Transport of Ternary Oxides in the System Ni/Mo/O – Experiments and Model CalculationsThe chemical vapour transport behaviour of the phases in the Ni/Mo/O system has been investigated using Cl2 and Br2 as transport agents in a temperature gradient 1173 to 1073 K. Single crystals of Ni2Mo3O8, NiO and MoO2 have been obtained, while the deposited NiMoO4 crystals are destroyed during cooling down to room temperature due to a phase transition. Pure powders of the ternary compounds have been used as starting materials as well as mixtures of three coexisting phases. The observed transport behaviour is compared with results of thermo dynamical model calculations. The influences of source composition, transport agent and the moisture contents are described in detail.
[BeCl(12‐Krone‐4)][SbCl4]: Ein neuer kationischer Berylliumkomplex
Authors: Neumüller Bernhard , Dehnicke Kurt 
Published: August 2006

Abstract[BeCl(12‐Crown‐4)][SbCl4]: A Novel Cationic Beryllium ComplexBeryllium chloride reacts in dichloromethane suspension in the presence of the equimolar amount of 12‐crown‐4 with antimony pentachloride exothermically to give [BeCl(12‐crown‐4)][SbCl4] (1), which is characterized by IR spectroscopy and by single crystal structure determination. Space group P21/c, Z = 8, lattice dimensions at 193 K: a = 1116.4(2), b = 1735.4(2), c = 1709.8(3) pm, β = 91.31(1)°, R1 = 0.0301. 1 contains cations [BeCl(12‐crown‐4)]+ with coordination number five at the beryllium atom, and polymeric anions $\rm [SbCl_{4}^{\phantom{\infty}-}]{\infty}$, forming zigzag chains along [001] with coordination number five at the antimony atoms, thus showing the steric effect of the lone pair.1 can also be obtained by using the twofold amounts of 12‐crown‐4 and antimony pentachloride, however, accompanied by forming [SbCl3(12‐crown‐4)] (2). With respect to the wrong crystal structure determinations previously reported in the literature, we solved the X‐ray structure of 2 in the space group P21/c, Z = 4, lattice dimensions at 173 K: a = 1191.4(1), b = 783.7(1), c = 1489.7(2) pm, β = 90.83(1)°, R1 = 0.0243.