bluuebunny/crossref_metadata_2025_split huggingface dataset:
A review of the role of magnetic susceptibility in archaeogeophysical studies in the USA: recent developments and prospects
Authors: Dalan Rinita A. 
Published: December 2007

AbstractMagnetic susceptibility is emerging in archaeogeophysical projects in the USA as a distinctive method for survey that is now more frequently applied. Spurred in part by developments in instrumentation and software, encouraged by a strong geoarchaeological focus, and influenced by the nature of the North American archaeological record, the magnetic susceptibility method has arisen in a number of areas of application. These include magnetic susceptibility studies within trenches and excavation units, the use of down‐hole sensors to investigate magnetic stratigraphy, visualization and interpretation of three‐dimensional susceptibility data sets, the incorporation of magnetic susceptibility data into pattern analyses of the spatial distribution of archaeological materials, and the integration of magnetic susceptibility studies with magnetometer and other surface geophysical surveys and with soil magnetic studies accomplished in the laboratory. The scale of application has ranged from microgeophysical surveys confined to single excavation units to investigations of broad archaeological landscapes; problem orientation has been equally diverse. Soil magnetic techniques are being tapped to enhance understanding of the formation of sites, features and landscapes, and also post‐depositional processes. Copyright © 2007 John Wiley & Sons, Ltd.
Development and validation of a sensitive LC‐MS/MS method with electrospray ionization using multiple ions for quantitation of torcetrapib in hamster and dog plasma
Authors: Trivedi Ravi Kumar , Dubey Pramod Kumar , Mullangi Ramesh , Srinivas Nuggehally R. 
Published: December 2007

AbstractA highly sensitive and specific LC‐MS/MS method has been developed and validated for the estimation of torcetrapib (TTB) with 100 µL hamster/dog plasma using DRL‐16126 as an internal standard (IS). The API‐4000 Q Trap LC‐MS/MS was operated under multiple‐reaction monitoring mode using the electrospray ionization technique. The assay procedure involved extraction of TTB and IS from plasma with acetonitrile, which yielded consistent recoveries of 65.73 and 94.01% for TTB and 79.68 and 90.70% for IS in hamster and dog plasma, respectively. The total chromatographic run time was 3.0 min and the elution of TTB and IS occurred at approximately 2.25 and 2.20 min, respectively. The resolution of peaks was achieved with 0.01 m ammonium acetate:acetonitrile (15:85, v/v) at a flow rate of 0.40 mL/min on an Inertsil ODS‐3 column. The method was proved to be accurate and precise at linearity range of 1.00–200 ng/mL with a correlation coefficient (r) of ≥0.993. The method was rugged with 1.00 ng/mL as the lower limit of quantitation. TTB was stable in the battery of stability studies. The application of the assay to preclinical pharmacokinetic studies confirmed the utility of the assay to derive hamster/dog pharmacokinetic parameters. Copyright © 2007 John Wiley & Sons, Ltd.
Determination of lipophilicity of α‐(4‐phenylpiperazine) derivatives of N‐benzylamides using chromatographic and computational methods
Authors: Bajda Marek , Bucki Adam , Szlęk Jakub , Szwaczkiewicz Marta , Świerczek Maciej , Malawska Barbara 
Published: December 2007

AbstractThis paper describes the evaluation of lipophilicity of α‐(4‐phenylpiperazine) derivatives of N‐benzylamides. We employed reversed‐phase thin‐layer chromatography (RP‐TLC) and reversed‐phase high performance liquid chromatography (RP‐HPLC) as experimental methods, using mixtures of acetonitrile and water as the mobile phases with addition of 0.1%TFA in the HPLC experiments. Retention parameters (RM) and capacity factors (log k) determined by applying these methods were linearly dependent on the acetonitrile concentration and enabled us to estimate the relative lipophilicity factors: RM0 and log k0. These factors were compared with the calculated partition coefficients C log P obtained using several software packages. The results indicate that both experimental methods (RP‐TLC and RP‐HPLC) yielded similar results, and these methods enable determining the lipophilicity of α‐(4‐phenylpiperazine) derivatives of N‐benzylamides. Significant correlations were found between log P values calculated by Pallas, ALOGPS and C log P Chem3D programs and the experimental data. Copyright © 2007 John Wiley & Sons, Ltd.
Dual pathways to engage in ‘Silent Marches’ against violence: moral outrage, moral cleansing and modes of identification
Authors: Lodewijkx Hein F. M. , Kersten Gaby L. E. , van Zomeren Martijn 
Published: December 2007

AbstractA survey (N = 120) examined variables that contribute to the willingness of people to engage in silent marches against violence in the Netherlands. As argued in Sacred Value Protection Model (SVPM) of Tetlock, Kristel, Elson, Green, and Lerner (2000) and moral mandate theory of Skitka, Bauman, and Sargis (2005), moral threats that are triggered by violent incidents, may indeed drive people to protest against such incidents. Our findings indicated dual pathways to such protests, that are all associated with reactive, angry empathic concerns. These concerns involve people's outrageous, punitive reactions towards offenders on behalf of the victims. These concerns are directly or indirectly related to people's participation intentions. That is, they directly influence the participation intention variable, or indirectly, through (re‐)establishing the belief in a just‐world, or through more fearful, self‐directed moral cleansing reactions. These latter reactions aim at reinforcing community‐shared moral standards. Copyright © 2007 John Wiley & Sons, Ltd.
Flammenausbreitung auf Flüssigkeitsoberflächen unterhalb des Flammpunktes
Authors: Schröder V. , Hieronymus H. , Zimmermann C. , Seebauer F. , Wieltsch U. 
Published: December 2007

AbstractIn technischen Ozonolyseanlagen kommen gasförmige Oxidationsmittel mit brennbaren Flüssigkeiten in Kontakt. Dies geschieht in der Regel bei tiefen Temperaturen, weit unterhalb des Flammpunktes. Trotzdem ist es in einer Anlage zu einer Explosion gekommen, deren Ursache möglicherweise eine Flammenausbreitung auf der Oberfläche des Lösungsmittels war. In Laborversuchen ist dieses Phänomen in Abhängigkeit von der Gasphasenzusammensetzung, vom Lösungsmittel, vom Druck und von der Temperatur untersucht worden.
Brennstoffe und Brennstoffzellen: Der „richtige”︁ Weg vom Brennstoff zum Brenngas
Authors: Hennings U. , Brune M. , Wolf M. , Reimert R. 
Published: December 2007

AbstractBrennstoffzellen werden für unterschiedliche Anwendungen und im Zusammenhang mit der Nutzung vieler verschiedener – fossiler und alternativer – Energierohstoffe betrachtet. Aus dem Umfang der geplanten Anwendungen und der möglichen Brennstoffe ergeben sich große und jeweils ganz spezielle Herausforderungen an das Design der Brenngasbereitstellung. Diese muss gleichermaßen den Anforderungen des Brennstoffs, der Anwendung und denen des verwendeten Brennstoffzellentyps genügen. Die sich ergebende große Anzahl der Kombinationsmöglichkeiten ist hier versuchsweise zusammenfassend dargestellt. Anhand ausgewählter Beispiele wird die Benutzung der gewählten graphischen Darstellung erläutert.
Untersuchung der Fluidströmung und deren Auswirkung auf die Partikelflugbahnen in einem Sprühtrockner
Authors: Stübing S. , Horender S. , Sommerfeld M. , Lübbers M. 
Published: December 2007

AbstractZiel der Untersuchungen war, bestehende Wandanlagerungen von Partikeln in einem Sprühtrockner zu minimieren. Dafür wurde die Bewegung der zu trocknenden Flüssigkeitstropfen in einem Sprühtrockner mittels CFD (computational fluid dynamics) numerisch berechnet. Die Fluidströmung im Einlassbereich des Trockners wurde mittels Laser‐Doppler‐Anemometrie vermessen, um Randbedingungen für die Simulationsrechnungen zu erhalten. Ein zweites, weiter vom Lufteinlass entfernt gemessenes Strömungsprofil diente als Validierung für das numerisch berechnete Profil. Es zeigte sich, dass die Abweichungen zwischen Experiment und Rechnung nur wenige Prozent betrugen. Die berechnete Fluidströmung im Sprühtrockner diente als Grundlage für die Berechnung der Flugbahnen der Produkttröpfchen aufgrund aerodynamischer Kräfte. Die daraus resultierenden Ablagerungsprofile stimmten gut mit den tatsächlich auftretenden Partikelablagerungen überein, sodass die Simulationen als Grundlage für Optimierungen des Sprühtrockners herangezogen werden konnten.
Präparation und Evaluation neuer Hybrid‐Protonenleiter – Teil II: Anorganische Nanoteilchen als Modifikator in Nafion®‐Hybridmembranen
Authors: Scheffler R. , Huth A. , Hübner G. , Marschall R. , Caro J. , Wark M. 
Published: December 2007

AbstractIm Teil I dieser Veröffentlichungsreihe wurden Nafion®‐basierte Hybridmaterialien mit Ionischen Flüssigkeiten als Modifikatoren vorgestellt [1]. Der hier vorliegende Teil II verfolgt den Ansatz, anorganische hydrophile Nanoteilchen aus TiO2 oder dem Zeolithen Mordenit einer kommerziellen Nafion®‐Dispersion zuzusetzen und durch Foliengießen Nafion®‐basierte Hybridmembranen zu erhalten. Die Protonenleitfähigkeit der erhaltenen Hybridmembranen wurde durch Impedanzspektroskopie unter praxisrelevanten Bedingungen charakterisiert. Ziel ist es, bei möglichst geringer Befeuchtung mit Wasserdampf in einem Temperaturbereich von 120 °C eine hohe Protonenleitfähigkeit zu erzielen. Der Nutzen dieses Konzeptes konnte prinzipiell gezeigt werden, denn für Temperaturen höher als 100 °C konnte der Abfall der Protonenleitfähigkeit, wie er bei reinem Nafion in starkem Maße auftritt, aufgrund des Wasserrückhaltes durch die anorganischen Modifikatoren deutlich verringert werden.
Globale Bilanzen als Wegweiser für nachhaltiges Wirtschaften
Authors: Pfennig A. 
Published: December 2007

AbstractKlimawandel und nachhaltiges Wirtschaften bestimmen heute viele Diskussionen, die Medien und die Politik. Eine klare Einschätzung der Situation fällt schwer, obwohl alle Daten prinzipiell verfügbar sind, da sich die Zahlenwerte aufgrund ihrer Größe der Vorstellung entziehen. In dieser Arbeit werden einige wesentliche Bilanzen pro Kopf der Weltbevölkerung und damit in einer vorstellbaren Größenordnung aufgestellt. Dadurch wird deutlich, dass Limitierungen nicht alleine die verfügbare Energie und das freigesetzte CO2 sind, sondern auch die Landfläche. Es werden Zukunftsszenarien aufbauend auf Prognosen zur Bevölkerungsentwicklung und den Bilanzen verglichen, die auch zeigen, wie empfindlich die verbleibenden Freiräume von kulturellen Aspekten wie Ernährungsgewohnheiten und Kinderzahl abhängen. Basierend auf den Szenarien werden Schlussfolgerungen zu unterschiedlichen Technologien abgeleitet.
The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study
Authors: Su Peifeng , Ying Fuming , Wu Wei , Hiberty Philippe C. , Shaik Sason 
Published: December 2007

AbstractThe recently developed (L. Song, W. Wu, Q. Zhang, S. Shaik, J. Phys. Chem. A 2004, 108, 6017–6024) valence bond method coupled to a polarized continuum model (VBPCM) is applied to the Menshutkin reaction, NH3+CH3Cl→CH3NH3++Cl−, in the gas phase and in aqueous solution. The computed barriers and reaction energies at the level of the breathing orbital VB method (P. C. Hiberty, J. P. Flament, E. Noizet, Chem. Phys. Lett. 1992, 189, 259), BOVB and VBPCM//BOVB, are comparable to CCSD(T) and CCSD(T)//PCM results and to experimental values in solution. The gas‐phase reaction is endothermic and leads to an ion‐pair complex via a late transition state. By contrast, the reaction in the aqueous phase is exothermic and leads to separate solvated ions as reaction products, via an early transition state. The VB calculations provide also the reactivity parameters needed to apply the valence bond state correlation diagram method, VBSCD (S. Shaik, A. Shurki, Angew. Chem. Int. Ed. 1999, 38, 586). It is shown that the reactivity parameters along with their semiempirical derivations provide together a satisfactory qualitative and quantitative account of the barriers.
Simulation of high‐speed flows by an unstructured grid implicit method including real gas effects
Authors: Hashemi M. Y. , Jahangirian A. 
Published: December 2007

AbstractThe incorporation of real gas effects into an efficient dual‐time implicit method is presented for numerical simulation of high‐speed flows. Two‐dimensional compressible Navier–Stokes equations are discretized by an implicit approach in a real‐time basis. The resulting set of implicit nonlinear equations is then solved iteratively in pseudo‐time using a Runge–Kutta scheme. A control‐volume central difference approach is used for spatial discretization on unstructured grids. For an equilibrium chemically reacting air, simplified equations are used to calculate the thermodynamics and transport properties of equilibrium air. The method is applied to hypersonic laminar flows of air over a compression ramp and a circular cylinder. Computational results are compared with those of other numerical methods and experimental data. Excellent agreement is obtained for various flow and heat transfer characteristics. Considerable reduction in computational time has also been achieved compared with the original explicit method. Copyright © 2007 John Wiley & Sons, Ltd.
A staggered grid‐based explicit jump immersed interface method for two‐dimensional Stokes flows
Authors: Rutka Vita 
Published: December 2007

AbstractIn this paper the explicit jump immersed interface method (EJIIM) is applied to stationary Stokes flows. The boundary value problem in a general, non‐grid aligned domain is reduced by the EJIIM to a sequence of problems in a rectangular domain, where staggered grid‐based finite differences for velocity and pressure variables are used. Each of these subproblems is solved by the fast Stokes solver, consisting of the pressure equation (known also as conjugate gradient Uzawa) method and a fast Fourier transform‐based Poisson solver.This results in an effective algorithm with second‐order convergence for the velocity and first order for the pressure. In contrast to the earlier versions of the EJIIM, the Dirichlét boundary value problem is solved very efficiently also in the case when the computational domain is not simply connected. Copyright © 2007 John Wiley & Sons, Ltd.
Children with asthma: Assessment and treatment in school settings
Authors: Bray Melissa A. , Kehle Thomas J. , Grigerick Sarah E. , Loftus Susan , Nicholson Heather 
Published: December 2007

AbstractAsthma is a chronic disease of the airways. It affects approximately 12% of American children, and it appears that that incidence is increasing. Asthma in children negatively influences school‐based outcomes such as absenteeism and friendship formation. Potential triggers of asthma include environmental allergens, exercise, weather, and emotional states. These lead to airway swelling and muscle constriction, which ultimately block airflow and impede breathing. In addition to medical treatments, the implementation of psychologically based interventions has been efficacious in school settings. © 2007 Wiley Periodicals, Inc.
6,7‐diaza‐1‐methoxy‐ 5‐methyl‐2, 8‐dioxabicyclo[3.2.1]oct‐6‐ene. An unstable bicyclic precursor of a dioxa carbonyl ylide and carbenes by ylide ring opening
Authors: Czardybon Wojciech , Sokol Wojciech , Warkentin John , Werstiuk Nick Henry 
Published: December 2007

AbstractSynthesis of a bicyclic 2,2‐dioxa oxadiazoline (6,7‐diaza‐1‐methoxy‐5‐methyl‐2,8‐dioxabicyclo[3.2.1]oct‐6‐ene) is reported. Its thermolysis at 27°C is about 200 times as fast as the thermolysis of a monocyclic oxadiazoline model system. Presumably, a cyclic dioxa carbonyl ylide is formed initially and the ylide then undergoes a bond scission to afford either a dioxacarbene or a dialkylcarbene or it cyclizes to an oxirane. A small fraction of a dialkylcarbene was trapped as the product of addition to dimethyl acetylenedicarboxylate (DMAD). Computations of the barriers to the loss of N2 from the oxadiazolines and to the formation of the carbenes from the carbonyl ylide resulting from thermolysis of the bicyclic oxadiazoline are compared to corresponding barriers for a similar monocyclic oxadiazoline. The rate acceleration is accounted for in terms of geometric factors. The complex products from the decomposition of the bicyclic oxadiazoline were not studied. Copyright © 2007 John Wiley & Sons, Ltd.
Vinyl polymerization of norbornene by mono‐ and trinuclear nickel complexes with indanimine ligands
Authors: Tang Guangrong , Lin Yue‐Jian , Jin Guo‐Xin 
Published: December 2007

AbstractA series of new indanimine ligands [ArNCC2H3(CH3)C6H2(R)OH] (Ar = Ph, R = Me (1), R = H (2), and R = Cl (3); Ar = 2,6‐i‐Pr2C6H3, R = Me (4), R = H (5), and R = Cl (6)) were synthesized and characterized. Reaction of indanimines with Ni(OAc)2·4H2O results in the formation of the trinuclear hexa(indaniminato)tri (nickel(II)) complexes Ni3[ArN = CC2H3(CH3)C6H2(R)O]6 (Ar = Ph, R = Me (7), R = H (8), and R = Cl (9)) and the mononuclear bis(indaniminato)nickel (II) complexes Ni[ArNCC2H3(CH3)C6H2(R)O]2 (Ar = 2,6‐i‐Pr2C6H3, R = Me (10), R = H (11), and R = Cl (12)). All nickel complexes were characterized by their IR, NMR spectra, and elemental analyses. In addition, X‐ray structure analyses were performed for complexes 7, 10, 11, and 12. After being activated with methylaluminoxane (MAO), these nickel(II) complexes can polymerize norbornene to produce addition‐type polynorbornene (PNB) with high molecular weight Mv (106 g mol−1), highly catalytic activities up to 2.18 × 107 gPNB mol−1 Ni h−1. Catalytic activities and the molecular weight of PNB have been investigated for various reaction conditions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 489–500, 2008
Neopenthyl glycol containing poly(propylene terephthalate)s: structure–properties relationships
Authors: Soccio M. , Lotti N. , Finelli L. , Gazzano M. , Munari A. 
Published: December 2007

AbstractPoly(propylene/neopenthyl terephthalate) random copolymers (PPT‐PNT) and poly(neopenthyl terephthalate) (PNT) were synthesized and subjected to molecular characterization. Afterwards, the polyesters were examined by TGA, DSC, andX‐ray. The copolymers, which displayed a good thermal stability, at room temperature appeared as semicrystalline materials: the main effect of copolymerization was a lowering in the amount of crystallinity and a decrease of the melting temperature with respect to homopolymer PPT. XRD measurements allowed the identification of the PPT crystalline structure in all cases. Amorphous samples were obtained after melt quenching, with the exception of PPT‐PNT5, and an increment of Tg as the content of NT units is increased was observed due to the effect of the side methylene groups in the polymeric chain. The Wood equation described well Tg‐composition data. Lastly, the presence of a rigid‐amorphous phase was evidenced in the copolymers, whose amount depended on composition and on thermal treatment. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 170–181, 2008
Morphological and thermal properties of ABS/montmorillonite nanocomposites using two different ABS polymers and four different montmorillonite clays
Authors: Patiño‐Soto A. P. , Sanchez‐Valdes S. , Ramos‐deValle L. F. 
Published: December 2007

AbstractABS/Clay nanocomposites were prepared using two ABS with different Acrylonitrile (AN) contents and four montmorillonite clays; a natural clay (CNa+) and three modified clays, Cloisites 10A, 20A, and 30B. The composites were prepared in a twin‐screw extruder. Results were analyzed considering the effect of clay and ABS type, on the clay dispersion, intercalation and exfoliation, as well as on the storage modulus and thermal stability of the nanocomposites. XRD and TEM confirm that when using an ABS with higher AN content (ABS2), a better dispersion and intercalation–exfoliation can be obtained. Cloisites 20A and 30B, respectively the one with greater initial intergallery spacing, but lower polarity and with smaller inter‐gallery spacing but greater polarity, produce the ABS nanocomposites with the greater intergallery spacing. Both ABS polymers have similar storage modulus and Tg and in both cases, the modulus increases with the 4 wt % clay. This increase is greater with the modified clays and slightly greater with the ABS2. Tg, from tan δ, increases very little with the 4 wt % clay, but again, this is slightly greater with ABS2. TGA and flammability tests show that the dispersed clay enhances the thermal stability and that the ABS with higher AN content produces a greater increase in fire retardancy. Tests also show that the better thermal stability and fire retardancy is obtained with the Cloisites 20A or 30B. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 190–200, 2008
Negative ion dissociation of peptides containing hydroxyl side chains
Authors: Pu Dan , Cassady Carolyn J. 
Published: December 2007

AbstractThe dissociation of deprotonated peptides containing hydroxyl side chains was studied by electrospray ionization coupled with Fourier transform ion cyclotron resonance (ESI‐FTICR) via sustained off‐resonance irradiation collision induced dissociation (SORI‐CID). Dissociation under post‐source decay (PSD) conditions was performed by matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF). This work included hexapeptides with one residue of serine, threonine, or tyrosine and five inert alanine residues. During SORI‐CID and PSD, dissociation of [M–H]− yielded c‐ and y‐ions. Side‐chain losses of formaldehyde (HCHO) from serine‐containing peptides, acetaldehyde (CH3CHO) from threonine‐containing peptides, and 4‐methylene‐2,5‐cycohexadienone (C7H6O) from tyrosine‐containing peptides were generally observed in the negative ion PSD and SORI‐CID spectra. Side‐chain loss occurs much less from tyrosine‐containing peptides than from serine‐ and threonine‐containing peptides. This is probably due to the bulky side chain of tyrosine, resulting in steric hindrance and poor geometry for dissociation reactions. Additionally, a selective cleavage leading to the elimination of the C‐terminal residue from [M–H]− was observed from the peptides with serine and threonine at the C‐terminus. This cleavage does not occur in the dissociation of peptides with an amide group at the C‐terminus or peptides with neutral or basic residues at the C‐terminus. It also does not occur with tyrosine at the C‐terminus. Both the C‐terminal carboxylic acid group and the hydroxyl side chain of the C‐terminal residue must play important roles in the mechanism of C‐terminal residue loss. A mechanism involving both the C‐terminal carboxylic acid group and a hydroxyl side chain of serine and threonine is proposed. Copyright © 2007 John Wiley & Sons, Ltd.