bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium‐Catalyzed C3 or C4 Direct Arylation of Heteroaromatic Compounds with Aryl Halides by CH Bond Activation
Authors: Roger Julien , Gottumukkala Aditya L. , Doucet Henri 
Published: October 2009

AbstractIn recent years, palladium‐catalyzed direct C2 or C5 arylation of heteroaromatic compounds with aryl halides by CH bond activation has become a popular method for generating carbon–carbon bonds. For this reaction, a wide variety of heteroaromatics, such as furans, thiophenes, pyrroles, thiazoles, oxazoles, imidazoles, pyrazoles, indoles, triazoles, or even pyridines, can be employed. C3 and C4 arylations of heteroaromatics by CH bond activation have also been described. Such reactions initially attracted much less attention than the C2 or C5 arylations due to the lower reactivity of the C3 and C4 positions. How‐ ever, in more recent years, several results from using modified and improved catalysts and reaction conditions have been reported, which permit C3 and C4 arylations in synthetically useful yields. Several intramolecular cyclizations of 2‐substituted heterocycles have been described, with formation of a CC bond on C3 resulting in the formation of five‐ to nine‐membered rings incorporating pyrroles, indoles, thiophenes, furans, isoxazoles, or pyridines. Intermolecular C3 or C4 direct arylations are still quite rare for some heteroaromatics and are in several cases not highly regioselective. For such reactions, the best results have been obtained using pyrroles, thiophenes, or furans. For selected substrates, regioselective arylation at C3 or C4 of the heteroaromatic compounds took place under appropriate reaction conditions. Only a few examples of intermolecular couplings using oxazoles, thiazoles, imidazoles, isoxazoles, pyrazoles, triazoles, or pyridines have been reported. For most of these reactions, aryl iodides or bromides have been used as coupling partners, although a few examples with aryl chlorides are also known. This method allows the synthesis of complex molecules in only a few steps, and will provide access to a very wide variety of new heteroaryl derivatives in the next years.
Fructose‐1,6‐Bisphosphate Aldolase‐Mediated Synthesis of Aminocyclitols (Analogues of Valiolamine) and their Evaluation as Glycosidase Inhibitors
Authors: El Blidi Lahssen , Assaf Zeinab , Camps Bres Flora , Veschambre Henri , Théry Vincent , Bolte Jean , Lemaire Marielle 
Published: October 2009

AbstractA highly stereoselective method for the preparation of nitro‐ and aminocyclitols, using fructose‐1,6‐bisphosphate aldolase, which catalyzes the aldol reaction of dihydroxyacetone phosphate (DHAP) on hydroxynitrobutanals, is reported. The key part of the synthesis is based on a one‐pot /two‐enzyme process whereby three reactions take place; rabbit muscle aldolase (RAMA) catalyzed aldolization, phytase‐catalyzed phosphate hydrolysis, and intramolecular spontaneous nitroaldolization. Two families of nitrocyclitols were obtained depending on the carbon configuration in the β position to the nitro group. Reduction of the latter afforded the aminocyclitols. Evaluation of the inhibition properties of the amines towards five commercially available glycosidases has shown selectivity for β‐glucosidase and β‐galactosidase.
Perrhenate Esters in New Catalytic Reactions
Authors: Bellemin‐Laponnaz Stéphane 
Published: October 2009

AbstractThere has been tremendous interest in the use of alkyltrioxorhenium complexes as catalysts for various organic transformations. Although such applications are now well known and, indeed, have been widely studied, other organorhenium oxide families, namely the perrhenate esters O3ReOR, have received much less attention. In this review, such ReVII species are shown to be very promising catalysts and several recent examples are presented, with the aim of shedding light on their synthetic potential as a new tool for organic chemists.
Model‐Aided Design of a Three‐Phase Gas‐Lift Reactor for Oxidation Accompanied by Catalyst Reversible Deactivation
Authors: Gogová Z. , Hanika J. 
Published: October 2009

AbstractA mathematical model of a three‐phase gas‐lift reactor (GLR) is developed to aid the design of a target reactor for simultaneous substrate catalytic oxidation in riser and a deactivated reactivation catalyst in the downcomer section of the multifunctional reactor. In the GLR model, the hydrodynamics of a real GLR and the kinetics of glucose oxidation by air over a palladium catalyst are incorporated. The GLR model searches for the optimal geometry of the target reactor. With regard to the GLR optimal geometry, the reactor productivity is maximal for given input operational conditions. An algorithm of the GLR model is presented together with simulation results of the target GLR and with insight into the parametric sensitivity of the model. Effects of the reaction components concentrations and the gas‐phase superficial velocity on the location of the target reactor optimal geometry and on the reactor productivity are discussed.
Numerical Study on Bubble Formation of a Gas‐Liquid Flow in a T‐Junction Microchannel
Authors: Dai L. , Cai W. , Xin F. 
Published: October 2009

AbstractBubble emergence in a gas‐liquid flow in a T‐junction microchannel of 100 μm diameter, operated under a squeezing regime, was simulated with the computational fluid dynamics method. In general, bubble formation in channels includes three stages: expansion, collapse and pinching off. After analyzing and comparing quantitatively the three forces of pressure, surface tension and shear stress acting on the gas thread in the whole process, their effects in the different stages were identified. The collapse stage was the most important for bubble formation and was investigated in detail. It was found that the collapse process was mostly influenced by the liquid superficial velocity, and the rate and time of collapse can be correlated with empirical equations including the liquid superficial velocity, the capillary number and the Reynolds number.
Ionic Liquids Made with Dimethyl Carbonate: Solvents as well as Boosted Basic Catalysts for the Michael Reaction
Authors: Fabris Massimo , Lucchini Vittorio , Noè Marco , Perosa Alvise , Selva Maurizio 
Published: October 2009

AbstractThis article describes 1) a methodology for the green synthesis of a class of methylammonium and methylphosphonium ionic liquids (ILs), 2) how to tune their acid–base properties by anion exchange, 3) complete neat‐phase NMR spectroscopic characterisation of these materials and 4) their application as active organocatalysts for base‐promoted carbon–carbon bond‐forming reactions. Methylation of tertiary amines or phosphines with dimethyl carbonate leads to the formation of the halogen‐free methyl‐onium methyl carbonate salts, and these can be easily anion‐exchanged to yield a range of derivatives with different melting points, solubility, acid–base properties, stability and viscosity. Treatment with water, in particular, yields bicarbonate‐exchanged liquid onium salts. These proved strongly basic, enough to efficiently catalyse the Michael reaction; experiments suggest that in these systems the bicarbonate basicity is boosted by two orders of magnitude with respect to inorganic bicarbonate salts. These basic ionic liquids used in catalytic amounts are better even than traditional strong organic bases. The present work also introduces neat NMR spectroscopy of the ionic liquids as a probe for solute–solvent interactions as well as a tool for characterisation. Our studies show that high catalytic efficacy of functional ionic liquids can be achieved by integrating their green synthesis, along with a fine‐tuning of their structure. Demonstrating that ionic liquid solvents can be made by a truly green procedure, and that their properties and reactivity can be tailored to the point of bridging the gap between their use as solvents and as catalysts.
Untersuchungen zum Downstream‐Processing bei der biotechnologischen Herstellung von 1,18‐Octadecendisäure
Authors: Körner H.‐J. , Deerberg Ing. G. 
Published: October 2009

AbstractDie Nutzung nachwachsender oder biogener Rohstoffe zur Herstellung technischer, chemischer und pharmazeutischer Produkte ist eng mit der industriellen Biotechnologie verknüpft und gewinnt in der chemischen Industrie zunehmend an Bedeutung. Die Biokonversion biobasierter Rohstoffe bietet dabei den direkten wie auch den indirekten Zugang zu Produkten. Um zu den Produkten in der für nachfolgende Synthesestufen erforderlichen Spezifikation zu gelangen, folgen auf die Biokonversion in der Regel mehrere, teilweise aufwendige Aufarbeitungsschritte.
Trends in der Industriellen Teilereinigung – Welches Potenzial hat Kohlendioxid?
Authors: Krieg M. C. , Bilz M. , Mankiewicz J. 
Published: October 2009

AbstractDas auf dem europäischen Markt angebotene technische CO2 wird nur zu einem geringen Teil aus natürlichen Quellen gewonnen, der Großteil fällt als Abfallprodukt aus Gärprozessen und in der chemischen Industrie an. Seine Nutzung ist vollkommen treibhausneutral, vielmehr können durch den Einsatz von Kohlendioxid zum Teil stark umweltgefährdende Stoffe wie halogenierte Kohlenwasserstoffe beinhaltende Kälte‐ oder Lösemittel mit einem erheblich größeren Treibhauspotenzial ersetzt werden. Auf Grund seiner verfahrenstechnischen Vorteile, wie trocken, rückstandsfrei, substratschondend und umweltneutral, hat sich das Strahlen mit festem Kohlendioxid in den letzten Jahren in unterschiedlichen Anwendungsfeldern etabliert. Die Möglichkeiten sind derzeit längst nicht ausgeschöpft. Gängige Verfahren und sich abzeichnende Entwicklungen werden dargestellt.
A stabilized formulation for discrete gradient method
Authors: Qian Jing , Lu Jia 
Published: October 2009

AbstractThis paper presents a stabilization scheme for the discrete gradient method proposed by the authors (Int. J. Numer. Methods Eng. 2009; 78:505–527). The discrete method is an extension of the nodal average strain triangle element to arbitrary polygon meshes. The method outperforms the low‐order finite elements in many aspects; however, it is susceptible to spurious zero‐energy or low‐energy modes arising from cancelation of strains during strain averaging. In this paper, stabilization is achieved by a penalty scheme that penalizes the difference between the nodal strain and the subcell strains. Several examples, including an analytical dispersion analysis, are presented to demonstrate the stabilization effect. Copyright © 2009 John Wiley & Sons, Ltd.
Tin Oxide Thin Film with Three‐Dimensional Ordered Reticular Morphology as a Lithium Ion Battery Anode
Authors: Zhu Xianjun , Guo Zaiping , Zhang Peng , Du Guodong , Zeng Rong , Chen Zhixin , Liu Huakun 
Published: October 2009

AbstractThree‐dimensional (3D) reticular SnO2 thin films deposited on copper and stainless steel substrates were prepared by the electrostatic spray deposition (ESD) technique. The 3D reticular SnO2 film exhibit a high reversible capacity near 300 mAh g−1 up to the 50th cycle.
Die neue allgemeine bauaufsichtliche Zulassung Z‐30.3‐6 “Erzeugnisse, Verbindungsmittel und Bauteile aus nichtrostenden Stählen” vom 20. April 2009
Authors: Burkert Andreas , Saal Helmut , Ulbrich Detlef 
Published: October 2009

AbstractBei der Beschreibung und Erläuterung der Regelungen der am 20. April 2009 herausgegebenen allgemeinen bauaufsichtlichen Zulassung Z‐30.3‐6 werden die weitreichenden Änderungen und Erweiterungen gegenüber der früheren Ausgabe dargestellt und erklärt und es wird ein Vergleich dieser Zulassung mit den aktuellen europäischen Regelungen durchgeführt. Dieser Vergleich verdeutlicht zum einen die Berücksichtigung der Belange der Praxis in der Zulassung und zeigt zum anderen, dass die in Rede stehenden europäischen Normen vom Inhalt her nicht ausreichen, um das hohe Qualitätsniveau zu erreichen, das von der Zulassung gewährleistet wird. Diese europäischen Normen sind zudem teilweise noch nicht bauaufsichtlich eingeführt. Ziel der künftigen Normungsaktivitäten muss es sein, im Rahmen der Überprüfung und Überarbeitung der europäischen Normen die in Deutschland mit der allgemeinen bauaufsichtlichen Zulassung von nichtrostenden Stählen seit nunmehr 35 Jahren gesammelten Erfahrungen einzubringen, sodass dann diese allgemeine bauaufsichtliche Zulassung nicht mehr erforderlich ist.
Photoacetylation of Diamondoids: Selectivities and Mechanism (Eur. J. Org. Chem. 30/2009)
Authors: Fokin Andrey A. , Gunchenko Pavel A. , Novikovsky Anatoliy A. , Shubina Tatyana E. , Chernyaev Boris V. , Dahl Jeremy E. P. , Carlson Robert M. K. , Yurchenko Alexander G. , Schreiner Peter R. 
Published: October 2009

AbstractThe cover picture shows shows the photochemical generation of triplet diacetyl (butadione, center) and its highly selective C–HH bond‐activation reactions in the functionalizations of tertiary C–H bonds. Despite several similarly reactive tertiary C–HH bonds and a multitude of secondary C–HH bonds with similar or even smaller bond dissociation energies (blue hydrogen atoms on structures on the left), this reagent shows remarkable selectivity for the apical positions of diamondoids owing to its high sensitivity to steric hindrance. This gives the respective apical acetyl diamondoids (blue groups on the right) in high yields. Deuterium kinetic isotope effects and accompanying computational studies shed light on the rate‐determining C–HH bond‐activation step. Details are discussed in the article by A. A. Fokin, P. R. Schreiner et al. on p. 5153 ff.
Dielectrophoretic manipulation and separation of microparticles using curved microelectrodes
Authors: Khoshmanesh Khashayar , Zhang Chen , Tovar‐Lopez Francisco J. , Nahavandi Saeid , Baratchi Sara , Kalantar‐zadeh Kourosh , Mitchell Arnan 
Published: October 2009

AbstractThis paper presents the development and experimental analysis of a dielectrophoresis (DEP) system, which is used for the manipulation and separation of microparticles in liquid flow. The system is composed of arrays of microelectrodes integrated to a microchannel. Novel curved microelectrodes are symmetrically placed with respect to the centre of the microchannel with a minimum gap of 40 μm. Computational fluid dynamics method is utilised to characterise the DEP field and predict the dynamics of particles. The performance of the system is assessed with microspheres of 1, 5 and 12 μm diameters. When a high‐frequency potential is applied to microelectrodes a spatially varying electric field is induced in the microchannel, which creates the DEP force. Negative‐DEP behaviour is observed with particles being repelled from the microelectrodes. The particles of different dimensions experience different DEP forces and thus settle to separate equilibrium zones across the microchannel. Experiments demonstrate the capability of the system as a field flow fraction tool for sorting microparticles according to their dimensions and dielectric properties.
Unsteady MHD free convective heat and mass transfer from a vertical porous plate with Hall current, thermal radiation and chemical reaction effects
Authors: Chamkha Ali , Mansour M. A. , Aly Abdelraheem 
Published: October 2009

AbstractAn analysis is presented to investigate the effects of chemical reaction, thermal radiation and heat generation or absorption on unsteady free convective heat and mass transfer along an infinite vertical porous plate in the presence of a transverse magnetic field and Hall current. The governing partial differential equations are formulated and transformed by using a similarity transformation into a system of ordinary differential equations. The resulting equations are solved numerically using a fourth‐order Runge–Kutta scheme along with the shooting method. The Rosseland approximation is used to describe the radiative heat flux in the energy equation. Numerical results for the velocity, temperature and concentration distributions are shown graphically for different parametric values. The effects of parameters on the local friction coefficients, the Nusselt number and Sherwood numbers are depicted in tabulated form. Copyright © 2009 John Wiley & Sons, Ltd.
An evaluation of statistical approaches to rare variant analysis in genetic association studies
Authors: Morris Andrew P. , Zeggini Eleftheria 
Published: October 2009

AbstractGenome‐wide association (GWA) studies have proved to be extremely successful in identifying novel common polymorphisms contributing effects to the genetic component underlying complex traits. Nevertheless, one source of, as yet, undiscovered genetic determinants of complex traits are those mediated through the effects of rare variants. With the increasing availability of large‐scale re‐sequencing data for rare variant discovery, we have developed a novel statistical method for the detection of complex trait associations with these loci, based on searching for accumulations of minor alleles within the same functional unit. We have undertaken simulations to evaluate strategies for the identification of rare variant associations in population‐based genetic studies when data are available from re‐sequencing discovery efforts or from commercially available GWA chips. Our results demonstrate that methods based on accumulations of rare variants discovered through re‐sequencing offer substantially greater power than conventional analysis of GWA data, and thus provide an exciting opportunity for future discovery of genetic determinants of complex traits. Genet. Epidemiol. 34: 188–193, 2010. © 2009 Wiley‐Liss, Inc.
Beyond Universalism: Capabilities Approach for Improving Women's Quality of Life
Authors: Woodward William R. , Barbour Lauren 
Published: October 2009

AbstractManfred Buhr (2007) suggested a powerful and subtle critique of European nations. He observed that their histories reveal “a painful process”. His antidote is a universalism that takes a deeper understanding of the Enlightenment project of reason. Buhr endorsed emancipation and human dignity through the Enlightenment rationalism of Kant. He allowed for cultural difference in attaining human dignity. Martha Nussbaum devised the Capabilities Approach along Aristotelian lines, to provide a normative account to evaluate human functioning. Capabilities have real life potential for programs that reassess and empower women in the developing world. The literature inspired by this capabilities approach addresses specific communities where women were empowered by giving them choices about the quality of their lives in such areas as education, gender relations, activities outside the home, microcredit, and training.
Occupational exposures contribute to educational inequalities in lung cancer incidence among men: Evidence from the EPIC prospective cohort study
Authors: Menvielle Gwenn , Boshuizen Hendriek , Kunst Anton E. , Vineis Paolo , Dalton Susanne O. , Bergmann Manuela M. , Hermann Silke , Veglia Fabrizio , Ferrari Pietro , Overvad Kim , Raaschou‐Nielsen Ole , Tjønneland Anne , Kaaks Rudolf , Linseisen Jakob , Palli Domenico , Krogh Vittorio , Tumino Rosario , Rodriguez Laudina , Agudo Antonio , Sánchez Maria‐José , Arozena Jone Miren Altzibar , Cirera Lluis , Ardanaz Eva , Bingham Sheila , Khaw Kay‐Tee , Boffetta Paolo , Duell Eric , Slimani Nadia , Gallo Valentina , Riboli Elio , Bueno‐de‐Mesquita H. Bas 
Published: October 2009

AbstractThe aim of this study is to investigate to what extent occupational exposures may explain socioeconomic inequalities in lung cancer incidence after adjusting for smoking and dietary factors. Analyses were based on a subsample of the European Prospective Investigation into Cancer and Nutrition (EPIC study), a prospective cohort. The analyses included 703 incident lung cancer cases among men in Denmark, the United Kingdom, Germany, Italy, Spain and Greece. The socioeconomic position was measured using the highest level of education. The estimates of relative indices of inequality (RII) were computed with Cox regression models. We first adjusted for smoking (with detailed information on duration and quantity) and dietary factors (fruits and vegetables consumption) and then for occupational exposures. The exposure to three carcinogens [asbestos, heavy metals and polycyclic aromatic hydrocarbons (PAH)] was analyzed. The occupational exposures explained 14% of the socioeconomic inequalities remaining after adjustment for smoking and fruits and vegetables consumption. The inequalities remained nevertheless statistically significant. The RII decreased from 1.87 (95% CI: 1.36–2.56) to 1.75 (1.27–2.41). The decrease was more pronounced when adjusting for asbestos than for heavy metals or PAH. Analyses by birth cohort suggested an effect of occupational exposures among older men, while due to small number of endpoints, no conclusion could be drawn about the role of occupational exposures in educational inequalities among younger men. Our study revealed that the impact of occupational exposures on socioeconomic inequalities in cancer incidence, rarely studied until now, exists while of modest magnitude.
The dual PI3K/mTOR inhibitor PI‐103 promotes immunosuppression, in vivo tumor growth and increases survival of sorafenib‐treated melanoma cells
Authors: López‐Fauqued Marta , Gil Rosa , Grueso Judit , Hernandez‐Losa Javier , Pujol Anna , Moliné Teresa , Recio Juan A. 
Published: October 2009

AbstractMelanoma is the most lethal human skin cancer. If metastatic, it becomes very aggressive and resistant to standard modalities of anticancer treatment. During the last 10 years, several therapeutic strategies have been tested including the use of single and combined small drugs. Experimental results indicate that RAS and PI3K pathways are important for the development and maintenance of melanoma. In this study, we assessed the in vitro and in vivo inhibition potential of PI‐103, a PI3K (p110α)/mTOR inhibitor and sorafenib, a BRAF inhibitor, as single agents and in combination in primary melanoma cell lines. Although PI‐103 and sorafenib inhibited melanoma in vitro cell proliferation and viability, the inhibition of RAS pathway appeared to be more effective. The combination of the two agents in in vitro showed a synergistic effect inhibiting RAS and PI3K pathways in a cell line dependent manner. However, no cooperative effect was observed in blocking in vivo tumor growth in immunocompetent mice. In contrary to the expected, the data indicate that PI‐103 induced immunosuppression promoting in vivo tumor growth and inhibiting apoptosis. Furthermore, in vitro studies examining the effects of the PI3K/mTOR inhibitor in tumor derived cell lines indicated that PI‐103 induced the anti‐apoptotic BH3 family proteins Mcl1, Bcl2 and BclxL favoring, the in vitro survival of sorafenib treated melanoma cells. These data certainly makes an argument for investigating unexpected effects of rational drug combinations on immunocompetent animal models prior to conducting clinical studies.