bluuebunny/crossref_metadata_2025_split huggingface dataset:
Superior Performance of Fe(BTC) With Respect to Other Metal‐Containing Solids in the N‐Hydroxyphthalimide‐Promoted Heterogeneous Aerobic Oxidation of Cycloalkanes
Authors: Mikami Yusuke , Dhakshinamoorthy Amarajothi , Alvaro Mercedes , Garcia Hermenegildo 
Published: March 2013

AbstractA series of heterogeneous catalysts incorporating N‐hydroxyphthalimide (NHPI) and containing transition‐metal ion as promoter (Fe3+ or Co2+) on a support such as Fe(BTC) (BTC=1,3,5‐benzenetricarboxylate), zeolites Y and Beta, mesoporous Al‐MCM‐41 aluminosilicate, and nonporous silica have been prepared and tested for the aerobic oxidation of cyclooctane. It was found that NHPI/Fe(BTC) as catalyst exhibits the best performance in the series with the highest selectivity to the ‐ol/‐one mixture at identical conversions. These results have been interpreted as being due to the appropriate combination between reaction cavity dimensions and confinement of the autooxidation chain reaction. The catalytic activity for cyclohexane using NHPI/Fe(BTC) under similar reaction conditions is also reported.
Separation of Ethyl Acetate‐Dichloromethane‐Ethanol by Extractive Distillation: Simulation and Optimization
Authors: Wang H. , Cui X. , Li C. , Fang J. 
Published: March 2013

AbstractChemical process simulation software is adopted to simulate the separation of ethyl acetate‐dichloromethane‐ethanol and water with the aim to use water as the extraction solvent and to meet the requirement of reuse. The influences of solvent ratio, reflux ratio, theoretical plate number, feed position, and solvent position on separation efficiency are discussed. Optimization of orthogonal design and response surface are employed to further optimize the parameters. Relative experimental results prove the reliability of the simulation.
Numerical Simulation of Tube Erosion in a Bubbling Fluidized Bed with a Dense Tube Bundle
Authors: Liu Y. F. , Hinrichsen O. 
Published: March 2013

AbstractTube erosion in a bubbling fluidized bed is numerically studied using the Eulerian‐Eulerian method coupled with a monolayer kinetic energy dissipation model. The hydrodynamical simulations are performed under conditions with three different superficial gas velocities. The time‐averaged bubble frequency and bubble rise velocity are calculated to characterize the bed hydrodynamics. The erosion rates of two target tubes are simulated and the influence of the bubble behaviors on erosion rates is evaluated. Compared with the experimental data in the literature, the bubble behaviors are well captured by the simulations. Good agreement between the calculated and measured erosion rates is also obtained for the two target tubes. The bubble behaviors around the tubes have direct impact on the tube erosion. Only small discrepancies in the calculated erosion rates are found when using different particle‐wall restitution coefficients and specularity coefficients.
Effect of Nickel Addition on Ceria‐Supported Platinum Catalysts for Medium‐Temperature Shift Reaction in Fuel Processors
Authors: Alijani A. , Irankhah A. 
Published: March 2013

AbstractMedium‐temperature shift reaction (MTS, 280–340 °C) has received much attention for use in fuel processors. In this study, bifunctional Pt‐Ni/CeO2 catalysts were prepared by different Pt (0.1–0.5 %) and Ni (5–20 %) loadings, and investigated for MTS reaction. X‐ray diffraction, N2 adsorption and temperature‐programmed reduction tests were used to characterize the prepared samples. The results showed that Pt‐Ni bimetallic catalysts have higher CO conversion in comparison to Pt/CeO2 monometallic catalyst. Furthermore, the sequential synthesis method of Pt and Ni impregnation was preferred to the simultaneous one, which is due to the better Pt dispersion on catalytic surface. Steam to carbon ratio variations study showed the maximum CO conversion to be in the range of 4.5.
Water‐Free Rare‐Earth‐Metal Ionic Liquids/Ionic Liquid Crystals Based on Hexanitratolanthanate(III) Anion
Authors: Ji Shun‐Ping , Tang Meng , He Ling , Tao Guo‐Hong 
Published: March 2013

AbstractThe hexanitratolanthanate anion (La(NO3)63−) is an interesting symmetric anion suitable to construct the component of water‐free rare‐earth‐metal ionic liquids. The syntheses and structural characterization of eleven lanthanum nitrate complexes, [Cnmim]3[La(NO3)6] (n=1, 2, 4, 6, 8, 12, 14, 16, 18), including 1,3‐dimethylimidazolium hexanitratolanthanate ([C1mim]3[La(NO3)6], 1), 1‐ethyl‐3‐methylimidazolium hexanitratolanthanate ([C2mim]3[La(NO3)6], 2), 1‐butyl‐3‐methylimidazolium hexanitratolanthanate ([C4mim]3[La(NO3)6], 3), 1‐isobutyl‐3‐methylimidazolium hexanetratolanthanate ([isoC4mim]3[La(NO3)6], 4), 1‐methyl‐3‐(3′‐methylbutyl)imidazolium hexanitratolanthanate ([MC4mim]3[La(NO3)6], 5), 1‐hexyl‐3‐methylimidazolium hexanitratolanthanate ([C6mim]3[La(NO3)6], 6), 1‐methyl‐3‐octylimidazolium hexanitratolanthanate ([C8mim]3[La(NO3)6], 7), 1‐dodecyl‐3‐methylimidazolium hexanitratolanthanate ([C12mim]3[La(NO3)6], 8), 1‐methyl‐3‐tetradecylimidazolium hexanitratolanthanate ([C14mim]3[La‐(NO3)6], 9), 1‐hexadecyl‐3‐methylimid‐azolium hexanitratolanthanum ([C16dmim]3[La(NO3)6], 10), and 1‐methyl‐3‐octadecylimidazolium hexanitratolanthanate ([C18mim]3[La(NO3)6], 11) are reported. All new compounds were characterized by 1H and 13C NMR, and IR spectroscopy as well as elemental analysis. The crystal structure of compound 1 was determined by using single‐crystal X‐ray diffraction, giving the following crystallographic information: monoclinic; P21/c; a=15.3170 (3), b=14.2340 (2), c=13.8954(2) Å; β=94.3453(15)°, V=3020.80(9) Å3, Z=4, ρ=1.764 g cm−3. The coordination polyhedron around the lanthanum ion is rationalized by six nitrate anions with twelve oxygen atoms. No hydrogen‐bonding network or water molecule was found in 1. The thermodynamic stability of the new complexes was investigated by using thermogravimetric analysis (TGA). The water‐free hexanitratolanthanate ionic liquids are thermal and moisture stable. Four complexes, namely complexes 8–11, were found to be ionic liquid crystals by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). They all present smectic A liquid‐crystalline phase.
ChemInform Abstract: Woollins Reagent: A Chemoselective Reducing Agent for 1,4‐Enediones and 1,4‐Ynediones to Saturated 1,4‐Diones.
Authors: Mandal Madhumita , Chatterjee Sourav , Jaisankar Parasuraman 
Published: March 2013

AbstractThe reduction of C‐C multiple bonds in the presence of a carbonyl group proceeds selectively using Woollins reagent and methanol as the proton source.
Process Intensification in the Gas Phase Conversion of Dimethyl Maleate to Tetrahydrofuran
Authors: Marz Stefan , Müller Steffen Peter , Kraushaar‐Czarnetzki Bettina 
Published: March 2013

AbstractDurch die Verwendung eines bifunktionellen Cu/ZnO/γ‐Al2O3‐Katalysators ist es möglich, die normalerweise mehrstufige Gasphasenumsetzung von Dimethylmaleat (DMM) zu Tetrahydrofuran (THF) in einem einzigen Festbettreaktor mit einer THF‐Ausbeute von nahezu 100 % durchzuführen. Die Raum‐Zeit‐Ausbeute an THF wird durch das Zulaufverhältnis H2/DMM kaum beeinflusst, lässt sich aber durch Erhöhung des Totaldrucks und insbesondere der Temperatur erheblich steigern.
Photodissociation of ClNO in the 2 1A′ State: Computational and Experimental NO Product State Distributions
Authors: Jones Kiera M. , Milkiewicz Jadwiga A. , Whitaker Benjamin J. , Sage Alan G. , Worth Graham A. 
Published: March 2013

AbstractUltrafast photodissociation of the 2 1A′ state of ClNO, which has an absorption spectrum peaking at 335 nm, is studied by computational and experimental methods. New potential‐energy surfaces are calculated for the 1 and 2 1A′ states at the multireference configuration interaction (MRCI) level. Wavepacket dynamics simulations performed both exactly and by using the multiconfiguration time‐dependent Hartree method yield essentially identical results. Transition dipole moments at a range of geometries are included in these calculations to correctly model the excitation. Vibrational and rotational state distributions of the NO product are obtained both computationally by analysing the quantum flux on the 2 1A′ surface and experimentally by use of 3D resonant multiphoton ionisation (REMPI), a variant of the velocity map imaging technique. The nascent NO is found to be only marginally vibrationally excited, with 91 % formed in v=0. The calculated NO rotational distribution peaks in the j=45–55 region, which compares favourably to experiment.
Oxygen‐Functionalized Few‐Layer Graphene Sheets as Active Catalysts for Oxidative Dehydrogenation Reactions
Authors: Schwartz Viviane , Fu Wujun , Tsai Yu‐Tung , Meyer Harry M. , Rondinone Adam J. , Chen Jihua , Wu Zili , Overbury Steven H. , Liang Chengdu 
Published: March 2013

AbstractNanostructured graphitic forms of carbons have shown intersting potential for catalysis research and are ideal candidates to substitute the conventional metal‐oxide catalysts because they can be easily disposed, which enables a greener, more sustainable catalytic process. Few‐layer graphene and its functionalized form offer the opportunity to investigate the nature of graphitic active sites for oxidation reactions in well‐defined carbon‐based catalysts. In this paper, we report the utilization of oxygen‐functionalized few‐layer graphene sheets containing variable amounts of oxygen in the heterogeneous catalytic oxidative dehydrogenation (ODH) reaction of isobutane at 400ºC. Interestingly, there is poor correlation between oxygen content and catalytic performance. Carbonyl groups were found to be highly stable, and graphene that had higher sp2character, the lowest oxygen content, and fewer edge sites presented the lowest specific rate of isobutane reaction, although the isobutene selectivity remained high. The reoxidation of the graphene surface occurred at the same rate as the ODH reaction suggesting a Mars–van Krevelen type of mechanism, similar to that which takes place on oxide surfaces. These results appear to suggest that a higher fraction of exposed edges where oxygen active sites can be formed and exchanged should lead to more active catalysts for ODH reactions.
Commentary on ‘Social skills groups for people aged 6 to 21 with autism spectrum disorders (ASD)’
Authors: Gillies Donna , Carroll Louisa , Loos Melissa 
Published: March 2013

AbstractThis is a commentary on a Cochrane review, published in this issue of EBCH, first published as: Reichow B, Steiner AM, Volkmar F. Social skills groups for people aged 6 to 21 with autism spectrum disorders (ASD). Cochrane Database of Systematic Reviews 2012, Issue 7. Art. No.: CD008511. DOI: 10.1002/14651858.CD008511.pub2.Further information for this Cochrane review is available in this issue of EBCH in the accompanying Summary article.
Commentary on ‘Interventions for restoring patency of central venous catheter lumens’
Authors: Bauman Mary Elisabeth , Massicotte Mary Patricia 
Published: March 2013

AbstractThis is a commentary on a Cochrane review, published in this issue of EBCH, first published as: van Miert C, Hill R, Jones L. Interventions for restoring patency of occluded central venous catheter lumens. Cochrane Database of Systematic Reviews 2012, Issue 4. Art. No.: CD007119. DoI: 10.1002/14651858.CD007119.pub2.Further information for this Cochrane review is available in this issue of EBCH in the accompanying Summary article.
Systematic reviews of bruising in relation to child abuse—what have we learnt: an overview of review updates
Authors: Maguire Sabine , Mann Mala 
Published: March 2013

AbstractBackground:Dogma has long prevailed regarding the ageing of bruises, and whether certain patterns of bruising are suggestive or diagnostic of child abuse.Objectives:We conducted the first Systematic Reviews addressing these two issues, to determine the scientific basis for current clinical practice. There have been seven updates since 2004.Methods:An all language literature search was performed across 13 databases, 1951–2004, using >60 key words, supplemented by ‘snowballing’ techniques. Quality standards included a novel confirmation of abuse scale. Updates used expanded key words, and a higher standard for confirmation of abuse.Results:Of 1495 potential studies, only three met the inclusion criteria for ageing of bruises in 2004, confirming that it is inaccurate to do so with the naked eye. This was roundly rejected when first reported, generating a wave of new studies attempting to determine a scientifically valid method to age bruises, none of which are applicable in children yet. Regarding patterns of bruising that may be suggestive or diagnostic of abuse, we included 23 of 167 studies reviewed in 2004, although only 2 were comparative studies. Included studies noted that unintentional bruises occur predominantly on the front of the body, over bony prominences and their presence is directly correlated to the child's level of independent mobility. Bruising patterns in abused children, differed in location (most common site being face, neck, ear, head, trunk, buttocks, arms), and tended to be larger. Updates have included a further 14 studies, including bruising in disabled children, defining distinguishing patterns in severely injured abused and non‐abused children, and importance of petechiae.Conclusions:Systematic Reviews of bruising challenged accepted wisdom regarding ageing of bruises, which had no scientific basis; stimulated higher quality research on patterns of bruises distinguishing abusive and non‐abusive bruising patterns, and highlighted the benefits of regular updates of these reviews.
The cytotoxicity of fatty acid/α‐lactalbumin complexes depends on the amount and type of fatty acid
Authors: Brinkmann Christel Rothe , Brodkorb André , Thiel Steffen , Kehoe Joseph J. 
Published: March 2013

AbstractComplexes of the milk protein, α‐lactalbumin, and the fatty acid, oleic acid, have previously been shown to be cytotoxic. Complexes of α‐lactalbumin and five different fatty acids (vaccenic, linoleic, palmitoleic, stearic, and elaidic acid) were prepared and compared to those formed with oleic acid. All complexes were cytotoxic to human promyelocytic leukemia‐derived (HL‐60) cells but to different degrees depending on the fatty acid. The amount of fatty acid per α‐lactalbumin molecule was found to correlate with the cytotoxicity; the higher the number of fatty acids per protein, the more cytotoxic the complex. Importantly, all the tested fatty acids were also found to be cytotoxic on their own in a concentration dependent manner. The cytotoxic effect of complexes between α‐lactalbumin and linoleic acid, vaccenic acid, or oleic acid was further investigated using flow cytometry and found to induce cell death resembling apoptosis on Jurkat cells.Practical applications: Cytotoxic complexes of α‐lactalbumin and several different fatty acids could be produced. The cytotoxicity of all the variants is similar to that previously determined for α‐lactalbumin/oleic acid complexes.
Towards the Total Synthesis of Pl‐3: Preparation of the Eastern Fragment through a Diastereoselective SmI2‐Mediated Reformatsky Reaction
Authors: Fürst Rita , Lentsch Christoph , Rinner Uwe 
Published: March 2013

AbstractThe jatrophane diterpene Pl‐3, isolated in 2003 from Euphorbia platyphyllos, is a structurally complex natural product with highly promising biological properties that include pronounced antiproliferative activity and the inhibition of the efflux‐pump activity of multidrug resistance p‐glycoprotein. Herein, the synthesis of the eastern fragment of Pl‐3 is outlined. The target compound is synthesized in nine synthetic operations in good overall yield, starting from readily available D‐ribose. The key step in the preparation of the eastern part of Pl‐3 is a diastereoselective SmI2‐mediated Reformatsky reaction. The proposed route is highly flexible and could also be applied to the synthesis of structurally related jatrophane diterpenes.
A quasi‐dynamic procedure for coupled thermal simulations
Authors: Errera Marc‐Paul , Baqué Bénédicte 
Published: March 2013

SUMMARYThis paper outlines the development and adaptation of a coupling strategy for transient temperature analysis in a solid via a conjugate heat transfer method. This study proposes a quasi‐dynamic coupling procedure to bridge the temporal disparities between the fluid and the solid. In this approach, dynamic thermal modeling in the solid is coupled with a sequence of steady states in the fluid. This quasi‐dynamic algorithm has been applied to the problem of convective heat transfer over, and transient conduction heat transfer within, a flat plate using the severe thermal conditions of a solid propellant rocket. Two different coupled thermal computations have been performed. In the first one—referred to as the reference computation—the coupling period is equal to the smallest solid time constant. In the second one, a very large coupling period is used. The results show that the procedure can predict accurate transient temperature fields at a reasonable computational cost. The simulation CPU time is approximately reduced by up to 90%, while maintaining a very good accuracy. All the details of the numerical test case are given in the paper. This application illustrates the capabilities and the overall efficiency of this coupled approach in a solid transient problem using long term simulations of time dependent flows. Copyright © 2013 John Wiley & Sons, Ltd.
Royal jelly enhances antigen‐specific mucosal IgA response
Authors: Kai Hikaru , Motomura Yuji , Saito Shiro , Hashimoto Ken , Tatefuji Tomoki , Takamune Nobutoki , Misumi Shogo 
Published: March 2013

AbstractThe effective uptake of antigens (Ags) by specialized M cells of gut‐associated lymphoid tissues is an important step in inducing an efficient intestinal mucosal immune response. In this study, royal jelly (RJ) was found to stimulate the differentiation of M‐like cells from human Caco‐2 cells in an in vitro M cell model. Furthermore, RJ and protease‐treated royal jelly (pRJ) efficiently enhanced transcytosis of FluoSpheres® carboxylate‐modified microspheres from the apical side to the basolateral side in the model. Therefore, we evaluated the ability of pRJ to induce efficient mucosal immune responses in an in vivo nonhuman primate. Continuous oral administration of commercially available pRJ resulted in a significant enhacement of the antigen‐specific IgA response in stool sample. Interestingly, Caco‐2 monolayer assay demonstrated that ether extracts from pRJ efficiently increased the expression level of a universal M cell marker, glycoprotein 2 (gp2). These findings suggest that pRJ exhibits mucosal immunomodulatory properties via stimulation of effective uptake of Ags through M cells.
Throughfall and stemflow vary seasonally in different land‐use types in a lower montane tropical region of Panama
Authors: Macinnis‐Ng Catriona M.O. , Flores Eric E. , Müller Henry , Schwendenmann Luitgard 
Published: March 2013

AbstractCatchment hydrology is influenced by land‐use change through alteration of rainfall partitioning processes. We compared rainfall partitioning (throughfall, stemflow and interception) and soil water content in three land‐use types (primary forest, secondary forest and agriculture) in the Santa Fe region of Panama. Seasonal patterns were typified by larger volumes of throughfall and stemflow in the wet season, and the size of precipitation events was the main driver of variation in rainfall redistribution. Land‐use‐related differences in rainfall partitioning were difficult to identify due to the high variability of throughfall. However, annual throughfall in agricultural sites made up a larger proportion of gross precipitation than throughfall in forest sites (94 ± 1, 83 ± 6 and 81 ± 1% for agriculture, primary and secondary forests, respectively). Proportional throughfall (% of gross precipitation becoming throughfall) was consistent throughout the year for primary forest, but for secondary forest, it was larger in the dry season than the wet season. Furthermore, proportional stemflow in the dry season was larger in secondary forest than primary forest. Stemflow, measured only in primary and secondary forests, ranged between 0.9 and 3.2% of gross precipitation. Relative soil moisture content in agricultural plots was generally elevated during the first half of the dry season in comparison to primary and secondary forests. Because throughfall is elevated in agricultural plots, we suggest careful management of the spatial distribution and spread of this land‐use type to mitigate potential negative impacts in the form of floods and high erosion rates in the catchment. Copyright © 2013 John Wiley & Sons, Ltd.
Regional differences in hydrological response to canopy interception schemes in a land surface model
Authors: Zhang Chi , Wang Dagang , Wang Guiling , Yang Weitao , Liu Xiaoping 
Published: March 2013

AbstractTwo different canopy interception schemes are applied to the parameterization of the hydrological processes in the Community Land Model version 3. One scheme treats rainfall and canopy water storage as spatially uniform within each model grid cell, and the other scheme considers sub‐grid variability of rainfall and water storage in the parameterization of canopy hydrological processes. The hydrological responses to differences between these two schemes in different regions are studied. It is found that the impact of the sub‐grid variability in the tropical regions is generally greater than the extra‐tropical regions. However, such impact can't be negligible for the extra‐tropical regions. Soil water in the total 3.4 m soil depth increases by 3% for Central‐South Europe, and vegetation temperature increases by 0.14 °C for Southeastern United States if the regional averages are considered. The magnitude of the impact is greater if the analysis focuses on the specific grid cells in these regions. The impact is tightly correlated with rainfall amount and vegetation density. The correlation coefficient between such impact and rainfall amount and vegetation density varies with regions and hydrological variables, with the largest value of 0.92 for interception loss in Amazonia. Our results indicate that the impact of the sub‐grid variability on hydrological processes in the extra‐tropical areas is also important, although rainfall amount and vegetation density in these areas are not as high as in the tropical areas. Copyright © 2013 John Wiley & Sons, Ltd.
Long‐term variations and temporal scaling of hydroclimatic time series with focus on the German part of the Elbe River Basin
Authors: Markovic D. , Koch M. 
Published: March 2013

AbstractLong‐term variations and temporal scaling of mean monthly time series of river flow, precipitation, temperature, relative humidity, air pressure, duration of bright sunshine, degree of cloud cover, short wave radiation, wind speed and potential evaporation within or in vicinity of the German part of the Elbe River Basin are analyzed. Statistically significant correlations between the 2–15 year scale‐averaged wavelet spectra of the hydroclimatic variables and the North Atlantic Oscillation‐ and Arctic Oscillation index are found which suggests that such long‐term patterns in hydroclimatic time series are externally forced. The Hurst parameter estimates (H) based on the Detrended Fluctuation Analysis (DFA) indicate persistence for discharge, precipitation, wind speed, air pressure and the degree of cloud cover, all having an annual cycle and a broad low‐frequency distribution. Also, DFA H parameter estimates are higher for discharge than for precipitation. The major long‐term quasi‐periodic variability modes of precipitation detected using Singular Spectrum Analysis coincide with those detected in the discharge time series. Upon subtraction of these low‐frequency quasi‐periodic modes, the DFA H parameter estimates suggest absence of the persistence for both precipitation and discharge. Copyright © 2013 John Wiley & Sons, Ltd.