bluuebunny/crossref_metadata_2025 huggingface dataset:
Updated national birth prevalence estimates for selected birth defects in the United States, 2004–2006
Authors: Parker Samantha E. , Mai Cara T. , Canfield Mark A. , Rickard Russel , Wang Ying , Meyer Robert E. , Anderson Patrick , Mason Craig A. , Collins Julianne S. , Kirby Russell S. , Correa Adolfo ,   for the National Birth Defects Prevention Network
Published: September 2010

BACKGROUND: The National Birth Defects Prevention Network collects state‐specific birth defects surveillance data for annual publication of prevalence estimates and collaborative research projects. In 2006, data for 21 birth defects from 1999 through 2001 were presented as national birth prevalence estimates. The purpose of this report was to update these estimates using data from 2004 through 2006. METHODS: Population‐based data from 11 active case‐finding programs, 6 passive case‐finding programs with case confirmation, and 7 passive programs without case confirmation were used in this analysis. Pooled birth prevalence estimates for 21 birth defects, stratified by case ascertainment approach, were calculated. National prevalence estimates, adjusted for maternal race/ethnicity and maternal age (trisomy 13, trisomy 18, and Down syndrome only) were determined using data from 14 programs. The impact of pregnancy outcomes on prevalence estimates was also assessed for five specific defects. RESULTS: National birth defects prevalence estimates ranged from 0.72 per 10,000 live births for common truncus to 14.47 per 10,000 live births for Down syndrome. Stratification by type of surveillance system showed that active programs had a higher prevalence of anencephaly, anophthalmia/microphthalmia, cleft lip with or without cleft palate, reduction defect of upper limbs, and trisomy 18. The birth prevalence of anencephaly, trisomy 13, and trisomy 18 also varied substantially with inclusion of elective terminations. CONCLUSION: Accurate and timely national estimates of the prevalence of birth defects are needed for monitoring trends, assessing prevention efforts, determining service planning, and understanding the burden of disease due to birth defects in the United States. Birth Defects Research (Part A), 2010. © 2010 Wiley‐Liss, Inc.
Compliance with Producer Responsibility Legislation: Experiences from UK Small and Medium‐sized Enterprises
Authors: Wilson Christopher , Williams Ian David , Kemp Simon
Published: September 2010

This study investigated the legal performance of UK small and medium‐sized enterprises (SMEs) with producer responsibility legislation. The research incorporated legislation controlling packaging and packaging waste, waste electrical and electronic equipment and the restriction of the use of certain hazardous substances in electrical and electronic equipment. Compliance audits and interviews were conducted with SMEs, regulators, government officials and SME support organisations. A total of 44 SMEs from the north‐west of England were audited between April and September 2008. The study's findings suggest:

low levels of ‘letter of the law’ and ‘spirit of the law’ compliance;

enforcement activity and surveillance of SME compliance was generally low; there has not been any formal enforcement action taken under the WEEE Regulations or the RoHS Regulations and enforcement under the PER Regulations is extremely low.

Recommendations on how to improve SME compliance control systems are provided. Copyright © 2010 John Wiley & Sons, Ltd and ERP Environment.
Promising to tell the truth makes 8‐ to 16‐year‐olds more honest
Authors: Evans Angela D. , Lee Kang
Published: September 2010

Techniques commonly used to increase truth‐telling in most North American jurisdiction courts include requiring witnesses to discuss the morality of truth‐ and lie‐telling and to promise to tell the truth prior to testifying. While promising to tell the truth successfully decreases younger children's lie‐telling, the influence of discussing the morality of honesty and promising to tell the truth on adolescents' statements has remained unexamined. In Experiment 1, 108 youngsters, aged 8–16 years, were left alone in the room and asked not to peek at the answers to a test. The majority of participants peeked at the test answers and then lied about their transgression. More importantly, participants were eight times more likely to change their response from a lie to the truth after promising to tell the truth. Experiment 2 confirmed that the results of Experiment 1 were not solely due to repeated questioning or the moral discussion of truth‐ and lie‐telling. These results suggest that, while promising to tell the truth influences the truth‐telling behaviors of adolescents, a moral discussion of truth and lies does not. Legal implications are discussed. Copyright © 2010 John Wiley & Sons, Ltd.
Perceived cultural spaces and cultural in‐betweens: Consumption among Korean Australians
Authors: Sutton‐Brady Catherine , Davis Teresa , Jung Mary
Published: September 2010

This study explores the influence of both generation and acculturation on food and media consumption patterns of Korean migrant families in Australia. Given the lack of studies specifically examining acculturative and generational influences on changes occurring in a culturally adaptive context, this study's objectives are to explore not only the experience of consumption for the families but also the differences between first‐ and second‐generation migrants and the differences within the family between parent and child. The findings of the study demonstrate the conflicted and negotiated construction of consumption around the dual cultural identities. The complexity and creolised effect of consumption appears when traditional food meets with the multi‐cuisine foodscape of Australia. The nostalgic consumption of certain kinds of ‘ethnic media’ meets up with the second generation's consumption of the same kinds of media for easy and quick‐fix ‘socialisation’. Elements of ‘reverse socialisation’ are also observed in the data. The study contributes to a better understanding of the cumulative and often intertwined effects of acculturation and/or generation in consumption changes.

Copyright © 2010 John Wiley & Sons, Ltd.
Packaging of healthy and unhealthy food products for children and parents: The relative influence of licensed characters and brand names
Authors: Levin Aron M. , Levin Irwin P.
Published: September 2010

Using a sample of 43 7–8‐year olds and their parents, we examined the extent to which children's judgments about food products are influenced by the same factors as their parents'. The factors manipulated were healthiness of product, brand name familiarity, and use of licensed cartoon characters (children) or celebrity endorsers (parents). Brand name familiarity was a more important factor than familiar cartoon characters or celebrity endorsers on food product evaluations. Parents and girls but not boys rated healthy products higher than unhealthy ones (e.g., breakfast cereal vs. pastries). However, parents placed greater weight on healthiness when choosing products for themselves than when choosing for their children. Discussion focuses on the promotion of healthy eating habits in children.

Copyright © 2010 John Wiley & Sons, Ltd.
CFD Study of Effects of Module Geometry on Forced Convection in a Channel with Non‐Conducting Fins and Flow Pulsation
Authors: Olayiwola B. O. , Schaldach G. , Walzel P.
Published: September 2010

CFD simulations were carried out to investigate the effects of the module geometry on forced convection in a rectangular channel containing series of regularly spaced non‐conducting baffles with flow oscillation. The simulations were performed at constant wall temperature. Steady‐flow Reynolds numbers Re in the range of 200 and 600 were studied. The results of the CFD simulations show that, for the effect fin spacing to be significant on heat transfer enhancement in finned system with oscillating flow, the oscillating flow velocity must be higher than the mean flow velocity. Superposition of oscillation yields increasing heat transfer performance with increasing fin height. Fin geometry with pyramidal shape yields highest performance in terms of the heat transfer effectiveness.
Numerical Simulation of Absorbing CO2 with Ionic Liquids
Authors: Wang X. , Dong H. , Zhang X. , Xu Y. , Zhang S.
Published: September 2010

Although separating CO2 from flue gas with ionic liquids has been regarded as a new and effective method, the mass transfer properties of CO2 absorption in these solvents have not been researched. In this paper, a coupled computational fluid dynamic (CFD) model and population balance model (PBM) was applied to study the mass transfer properties for capturing CO2 with ionic liquids solvents. The numerical simulation was performed using the Fluent code. Considering the unique properties of ionic liquids, the Eulerian‐Eulerian two‐flow model with a new drag coefficient correlation was employed for the gas‐liquid fluid dynamic simulation. The gas holdup, interfacial area, and bubble size distribution in the bubble column reactor were predicted. The mass transfer coefficients were estimated with Higbie's penetration model. Furthermore, the velocity field and pressure field in the reactor were also predicted in this paper.
Separation of Hydrazine from Air by Wetted Wire Column
Authors: Pakdehi S. G. , Taheri S.
Published: September 2010

Hydrazine vapor is hazardous and should be removed from air. Several methods have been suggested for this purpose. Gas absorption by a packed‐bed column (PBC) is a conventional method. Due to some disadvantages of the PBC, the wetted‐wire column (WWC) was introduced as a new contact device. In this paper, the performance of the WWC was studied and compared with the PBC under the same conditions of gas and liquid volume flow rates. The ranges of the gas and liquid flow rates were 0–100 L min–1 and 0–2.5 L min–1, respectively. The results showed that the pressure drop in the WWC was much smaller than in the PBC. Moreover, the removal efficiency of hydrazine from air is quite comparable in the WWC and the PBC.
Adsorption Characteristic of Methanol in Activated Carbon Impregnated with Lithium Chloride
Authors: Oliveira R. G. , Wang R. Z. , Xian Li T.
Published: September 2010

The amount of methanol adsorbed in composite sorbents made of activated carbon impregnated with two different mass fractions of LiCl were assessed at selected temperatures and pressures. The adsorbed amounts, temperature, and pressure were well correlated with a Langmuir‐type equation that had the same set of coefficients for different isotherms and isobars. However, sorption hysteresis was observed in the composite sorbent and the main practical implication of this phenomenon was the increase of the regeneration temperature necessary to desorb a certain amount of methanol. The specific cooling capacity and the coefficient of performance of the studied adsorbents were calculated, and it was found that the sorbent with 21.3 wt % of LiCl had specific cooling capacities 11 % to 31 % higher than those obtained with the untreated activated carbon, when the regeneration temperature was 388 K. The heat sink temperature was 303 K, and the evaporation temperature ranged between 263 and 283 K. However, at the same operation conditions, the coefficient of performance of both sorbents was similar.
Comparison of Electrocoagulation and Chemical Coagulation for Heavy Metal Removal
Authors: Akbal F. , Camcı S.
Published: September 2010

Copper (Cu), chromium (Cr), and nickel (Ni) removal from metal plating wastewater by electrocoagulation and chemical coagulation was investigated. Chemical coagulation was performed using either aluminum sulfate or ferric chloride, whereas electrocoagulation was done in an electrolytic cell using aluminum or iron electrodes. By chemical coagulation, Cu‐, Cr‐, and Ni‐removal of 99.9 % was achieved with aluminum sulfate and ferric chloride dosages of 500, 1000, and 2000 mg L–1, respectively. Removal of metals by electrocoagulation was affected by the electrode material, wastewater pH, current density, number of electrodes, and electrocoagulation time. Electrocoagulation with iron electrodes at a current density of 10 mA cm–2, electrocoagulation time of 20 min, and pH 3.0 resulted in 99.9 % Cu‐, 99.9 % Cr‐, and 98 % Ni‐removal.
The Use of Nonlinearity Measures in the Estimation of Kinetic Parameters of Sugarcane Bagasse Pyrolysis
Authors: Lira T. S. , Santos K. G. , Murata V. V. , Gianesella M. , Barrozo M. A. S.
Published: September 2010

The majority of the pyrolysis kinetics models presented in the literature is nonlinear. In these models, the influence of temperature is normally described by the Arrhenius equation. In some studies related to parameter estimation of nonlinear models suggestions can be found for reparameterization of the Arrhenius‐type equation due to inadequate results on the parameter estimation. In this work, kinetic modeling is proposed in order to predict the primary biomass decomposition behavior under a dynamic regime. This model is based on the traditional model of parallel reactions and uses the Arrhenius‐type equation in the reparameterized form. Some nonlinearity measures are used as a tool to correctly estimate the kinetic parameters of the pyrolysis of sugarcane bagasse. The predictions from the proposed model properly reproduced the experimental DTG curves. The reparametrized model showed non‐significance for bias and nonlinearity measures.
Adjustable Twin‐Slit Rheometer for Shear Viscosity Measurement of Extruded Complex Starchy Melts
Authors: Robin F. , Engmann J. , Tomasi D. , Breton O. , Parker R. , Schuchmann H. P. , Palzer S.
Published: September 2010

An online rheometer with an innovative system of height‐adjustable and independently temperature‐controlled slits was designed to measure the shear viscosity of extruded wheat bran fiber‐containing starchy materials. The range of melt pressures and temperatures, obtained with a die, could be covered by the rheometer. A close ingredient thermomechanical history in the extruder was achieved both with the die and the rheometer, while covering an apparent shear rate from 5 to 30 s–1. Although minor technical problems remained, first rheological data were obtained and showed a pseudoplastic flow behavior for all recipes. The flow curves were fitted by a power law model. Wheat bran fiber addition influenced both the K‐ and n‐values, leading to more shear‐thinning melt behavior and an increase in true shear viscosity. Only a limited effect on these values was found in these preliminary experiments when further increasing the fiber content.
Comparison of Various Alkaline Solutions for H2S/CO2‐Selective Absorption Applied to Biogas Purification
Authors: Dubois L. , Thomas D.
Published: September 2010

Biogas is a common renewable energy resource. A very important stage of biogas upgrading, studied in the present work, is its purification from H2S traces. The selective absorption of H2S and CO2 into oxido‐alkaline solutions containing hydrogen peroxide and into amine solutions was compared by performing absorption test runs in a cables‐bundle scrubber at 293.15 K and atmospheric pressure. The absorption rate and selectivity for H2S over CO2 were determined for various solute partial pressures, different alkaline absorbents and hydrogen peroxide concentrations in the scrubbing liquid, and different pH values. Higher H2S‐selective absorption performances with oxido‐alkaline solutions than with amine solutions could be observed provided that the solution is at a low pH value (9.5) and contains a sufficient hydrogen peroxide concentration.
The Remarkable Chemistry of Trannulenes: Green Fluorinated Fullerenes with Unconventional Aromaticity
Authors: Khakina Ekaterina A. , Troyanov Sergey I. , Peregudov Alexander S. , Soulimenkov Ilya V. , Polyakova Natalya V. , Troshin Pavel A.
Published: September 2010

We report the first reaction of trannulenes involving their thermal isomerization to a new class of compounds termed “triumphenes”. The thermodynamically controlled conversion of trannulenes into triumphenes is accompanied by an unprecedented migration of three organic addends from one hemisphere of the fullerene cage to another. The reaction products, bearing aliphatic substituents, might find applications in materials science as strong electron acceptors due to the presence of fifteen electron‐withdrawing fluorine atoms in their molecular framework. It was revealed that the isomerization of trannulenes can be affected by the presence of unsaturated compounds in the reaction mixture. Heating of trannulenes C60F15R3 with C60, C70, anthracene, or pentacene at reflux in 1,2‐dichlorobenzene yields fluorinated derivatives C60F14R2A, which possess a fused cyclic addend A. The products of this reaction have “triumphene‐type” addition patterns and seem to be formed through an unprecedented sequence of elimination, addition, and isomerization steps. The molecular structure of a representative triumphene was proven unambiguously by X‐ray single‐crystal diffraction analysis and by NMR spectroscopy. The reactions revealed here open up numerous opportunities for chemical derivatization of fluorinated fullerenes. This method promises to provide a new path towards valuable photoactive materials and a new generation of fullerene‐based compounds that are suitable for biomedical applications.
Determination of the Surfactant Density on SWCNTs by Analytical Ultracentrifugation
Authors: Backes Claudia , Karabudak Engin , Schmidt Cordula D. , Hauke Frank , Hirsch Andreas , Wohlleben Wendel
Published: September 2010

We report on the extensive characterization of single‐walled carbon nanotubes (SWCNTs) dispersed in a variety of surfactants, such as sodium dodecyl benzene sulfonate (SDBS), sodium cholate (SC), and three synthesized perylene‐based surfactants, by using differential sedimentation in H2O and D2O. Multidimensional evaluation of the absorption profiles over radius, wavelength, and time allows the determination of the anhydrous specific volumes of the SWCNT–surfactant complexes as well as the concentration of the surfactant reservoir in free micelles with very slow sedimentation coefficients (<1 Svedberg). Among the perylene bisimide surfactants, the smallest derivative is densely adsorbed on the nanotube backbone with an anhydrous specific volume significantly above that of SC or SDBS. Bulky Newkome dendritic groups on one or both ends of the perylene moiety gradually reduce the adsorption density, in accord with the absolute adsorption between 0.66 and 1.7 mmol surfactant per gram SWCNTs. Furthermore, hydrodynamic analysis reveals that SDBS favors the “tails‐on” configuration. The distribution of sedimentation coefficients of SWCNTs prepared by high‐pressure carbon monoxide decomposition (HiPco) is broader and shifted to faster sedimentation than those prepared by using cobalt–molybdenum catalysis (CoMoCAT), which reflects the polydispersity in diameter and length.
Artificial Transcription Factors which Mediate Double‐Strand DNA Cleavage
Authors: Li Chao , Du Chao , Tian Hua , Jiang Chao , Du Min , Liu Yan , Qiao Ren‐Zhong , Jia Yan‐Xing , Zhao Yu‐Fen
Published: September 2010

A new family of artificial transcription factor (ATF)‐based conjugates have been designed and synthesized as potent chemical nucleases. Polyamides as the important and efficient ATFs were used to modify and activate several anchor compounds. The results demonstrate that the resulting conjugates remarkably promote the rate accelerations and non‐random double‐strand DNA cleavage activity. Interestingly, the cleavage activity of both the hydrolytic and oxidative agents was promoted efficiently through the modification of the ATFs.
Synthesis and Characterization of an Amidinate‐Stabilized cis‐1,2‐Disilylenylethene [cis‐LSi{C(Ph)C(H)}SiL] and a Singlet Delocalized Biradicaloid [LSi(μ2‐C2Ph2)2SiL]
Authors: Yeong Hui‐Xian , Xi Hong‐Wei , Lim Kok Hwa , So Cheuk‐Wai
Published: September 2010

The synthesis and characterization of novel cis‐1,2‐disilylenylethene [cis‐LSi{C(Ph)C(H)}SiL] (2; L=PhC(NtBu)2) and a singlet delocalized biradicaloid [LSi(μ2‐C2Ph2)2SiL] (3) are described. Compound 2 was prepared by the reaction of [{PhC(NtBu)2}Si:]2 (1) with one equivalent of PhCCH in toluene. Compound 3 was synthesized by the reaction of 1 with two equivalents of PhCCPh in toluene. The results suggest that the reaction proceeds through an [LSi{C(Ph)C(Ph)}SiL] intermediate, which then reacts with another molecule of PhCCPh to form 3. Compounds 2 and 3 have been characterized by X‐ray crystallography and NMR spectroscopy. X‐ray crystallography and DFT calculations of 3 show that the singlet biradicals are stabilized by the amidinate ligand and the delocalization within the “Si(μ2‐C2Ph2)2Si” six‐membered ring.
A Highly Selective Fluorescence‐Based Polymer Sensor Incorporating an (R,R)‐Salen Moiety for Zn2+ Detection
Authors: Xu Ying , Meng Jie , Meng Lingxing , Dong Yu , Cheng Yixiang , Zhu Chengjian
Published: September 2010

A chiral polymer incorporating an (R,R)‐salen moiety was synthesized by the polymerization of (R,R)‐1,2‐diaminocyclohexane with 2,5‐dibutoxy‐1,4‐di(salicyclaldehyde)‐1,4‐diethynyl‐benzene by a nucleophilic addition–elimination reaction. The fluorescence responses of the (R,R)‐salen‐based polymer toward various metal ions were investigated by fluorescence spectra. Compared with other cations, such as Na+, K+, Mg2+, Ca2+, Mn2+, Fe2+, Fe3+, Co2+, Ni2+, Cu2+, Ag+, Cd2+, Hg2+, and Pb2+, Zn2+ can lead to a pronounced fluorescence enhancement as high as 7.8‐fold together with an obvious blue‐shift change of the chiral polymer. More importantly, the fluorescent color of the polymer changed to bright blue instead of weak yellow after addition of Zn2+, which can be easily detected by the naked eye. The results indicate that this kind of chiral polymer, incorporating an (R,R)‐salen moiety as a receptor in the main chain backbone, can exhibit high sensitivity and selectivity for Zn2+ recognition.
Synthesis of the Core Structure of the Lipoteichoic Acid of Streptococcus pneumoniae
Authors: Pedersen Christian Marcus , Figueroa‐Perez Ignacio , Boruwa Joshodeep , Lindner Buko , Ulmer Artur J. , Zähringer Ulrich , Schmidt Richard R.
Published: September 2010

Streptococcus pneumoniae LTA is a highly complex glycophospholipid that consists of nine carbohydrate residues: three glucose, two galactosamine and two 2‐acetamino‐4‐amino‐2,4,6‐trideoxygalactose (AATDgal) residues that are each differently linked, one ribitol and one diacylated glycerol (DAG) residue. Suitable building blocks for the glucose and the AATDgal residues were designed and their synthesis is described in this paper. These building blocks permitted the successful synthesis of the core structure Glcβ(1‐3)AATDgalβ(1‐3)Glcα(1‐O)DAG in a suitably protected form for further chain extension (1 b, 1 c) and as unprotected glycolipid (1 a) that was employed in biological studies. These studies revealed that 1 a as well as 1 lead to interleukin‐8 release, however not via TLR2 or TLR4 as receptor.
Unprecedented Water Addition to the α,β‐Unsaturated Enone Bond, Mediated by the Combination of Carbonate and Platinum(II)
Authors: Marqués‐Gallego Patricia , Reedijk Jan
Published: September 2010

The cytostatic compounds cis‐[Pt(A9pyp)(dmso)Cl2] (1) and [Pt(A9pyp)(dmso)(cbdca)] (2) (A9pyp=(E)‐[1‐(9‐anthryl)‐3‐(2‐pyridyl)‐2‐propenone) as carrier ligand; cbdca=cyclobutane dicarboxylate) have been found to add water across the enone CC bond of the ligand A9pyp. The water addition occurs in the presence of carbonate buffer, and has been followed in detail using NMR and ESI‐MS spectroscopy. The spectroscopic data clearly indicate that the platinum(II) ion, the carbonate species, and the proximity of the enone CC bond to the metal ion, are all required for this unusual hydration. A difference in kinetics is observed between chloride and cbdca, showing that the Pt–ligand dissociation plays an important role in the hydration kinetics.
Synthesis and Redox Behaviour of the Chalcogenocarbonyl Dianions [(E)C(PPh2S)2]2−: Formation and Structures of Chalcogen–Chalcogen Bonded Dimers and a Novel Selone
Authors: Konu Jari , Chivers Tristram , Tuononen Heikki M.
Published: September 2010

The lithium salts of the chalcogenocarbonyl dianions [(E)C(PPh2S)2]2− (E=S (4 b), Se (4 c)) were produced through the reactions between Li2[C(PPh2S)2] and elemental chalcogens in the presence of tetramethylethylenediamine (TMEDA). The solid‐state structure of {[Li(TMEDA)]2[(Se)C(PPh2S)2]}—[{Li(TMEDA)}24 c]—was shown to be bicyclic with the Li+ cations bis‐S,Se‐chelated by the dianionic ligand. One‐electron oxidation of the dianions 4 b and 4 c with iodine afforded the diamagnetic complexes {[Li(TMEDA)]2[(SPh2P)2CEEC(PPh2S)2]} ([Li(TMEDA)]27 b (E=S), [Li(TMEDA)]27 c (E=Se)), which are formally dimers of the radical anions [(E)C(PPh2S)2]−. (E=S (5 b), Se (5 c)) with elongated central EE bonds. Two‐electron oxidation of the selenium‐containing dianion 4 c with I2 yielded the LiI adduct of a neutral selone {[Li(TMEDA)][I(Se)C(PPh2S)2]}—[{LiI(TMEDA)}6 c]—whereas the analogous reaction with 4 b resulted in the formation of 7 b followed by protonation to give {[Li(TMEDA)][(SPh2P)2CSS(H)C(PPh2S)2]}—[Li(TMEDA)]8 b. Attempts to identify the transient radicals 5 b and 5 c by EPR spectroscopy in conjunction with DFT calculations of the electronic structures of these paramagnetic species and their dimers are also described. The crystal structures of [{Li(TMEDA)}24 c], [{LiI(TMEDA)}6 c]⋅C7H8, [Li(TMEDA)]27 b⋅(CH2Cl2)0.33, [Li(THF)2]27 b, [Li(TMEDA)]27 c, [Li(TMEDA)]8 b⋅(CH2Cl2)2 and [Li([12]crown‐4)2]8 b were determined and salient structural features are discussed.
A Rationale of the Baeyer–Villiger Oxidation of Cyclohexanone to ε‐Caprolactone with Hydrogen Peroxide: Unprecedented Evidence for a Radical Mechanism Controlling Reactivity
Authors: Cavani Fabrizio , Raabova Katerina , Bigi Franca , Quarantelli Carla
Published: September 2010

We demonstrate, for the first time, in the Baeyer–Villiger oxidation of cyclohexanone with aqueous hydrogen peroxide under conditions aimed at obtaining ε‐caprolactone, that a thermally activated radical reaction leads to the concurrent formation of adipic acid, even when a stoichiometric amount of the oxidant is used. In fact, ε‐caprolactone is the primary reaction product, but it is more reactive than cyclohexanone, and quickly undergoes consecutive transformations. When titanium silicalite‐1 (TS‐1) is used as a catalyst, the high concentration of hydroxy radicals within its pores accelerates the reaction rates, and the consecutive formation of adipic acid (and of lighter diacids as well) becomes largely kinetically preferred. The proper choice of the solvent, which also may act as a radical scavenger, both without catalyst and with TS‐1, is a powerful tool for controlling the rates of the various reactions involved.
Biosorption Kinetics and Isotherm Studies of Cd(II) by Dried Enteromorpha compressa Macroalgae Cells from Aqueous Solutions
Authors: Sahmurova Aida , Türkmenler Harun , Özbaş Emine Elmaslar
Published: September 2010

For the first time ever, Enteromorpha compressa macroalgae (ECM), which is commonly found in Turkey, has been used as biosorbent by us. This study aims to investigate the biosorption of Cd2+ from aqueous solutions in a batch system by using an alga of ECM in different concentrations, pH levels, agitation rates (90–150 rpm), and contact periods. The maximum biosorption capacity of the ECM was found to be 9.50 mg/g at pH 6, Cd2+ initial concentration of 10 mg/L and agitation rate 150 rpm. Cadmium removal efficiency was about 95%. The experimental isotherm data were analyzed using the Langmuir and Freundlich equations. Isotherm parameters for both equations were determined and discussed. The stated biosorption mechanism is explained by the Freundlich isotherm (r2 = 0.998) theory. Two simplified kinetic models including a pseudo‐first‐ and second‐order equation were selected to follow the biosorption process. Kinetic parameters; rate constants, equilibrium adsorption capacities and related correlation coefficients, for each kinetic model were calculated and discussed. It was shown that the biosorption of cadmium onto ECM could be described by the pseudo‐second‐order equation (r2 > 0.99).
Scalability of pseudospectral methods for geodynamo simulations
Authors: Davies Christopher J. , Gubbins David , Jimack Peter K.
Published: September 2010

The problem of understanding how Earth's magnetic field is generated is one of the foremost challenges in modern science. It is believed to be generated by a dynamo process, where the complex motions of an electrically conducting fluid provide the inductive action to sustain the field against the effects of dissipation. Current dynamo simulations, based on the numerical approximation to the governing equations of magnetohydrodynamics, cannot reach the very rapid rotation rates and low viscosities (i.e. low Ekman number) of Earth due to limitations in available computing power. Using a pseudospectral method, the most widely used method for simulating the geodynamo, computational requirements needed to run simulations in an ‘Earth‐like’ parameter regime are explored theoretically by approximating operation counts, memory requirements and communication costs in the asymptotic limit of large problem size. Theoretical scalings are tested using numerical calculations. For asymptotically large problems the spherical transform is shown to be the limiting step within the pseudospectral method; memory requirements and communication costs are asymptotically negligible. Another limitation comes from the parallel implementation, however, this is unlikely to be threatened soon and we conclude that the pseudospectral method will remain competitive for the next decade. Extrapolating numerical results based upon the code analysis shows that simulating a problem characterizing the Earth with Ekman number E = 10−9 would require at least 13 000 days per magnetic diffusion time with 54 000 available processors, a formidable computational challenge. At E = 10−8 an allocation of around 350 million CPU hours would compute a single diffusion time, many more CPU hours than are available in current supercomputing allocations but potentially reachable in the next decade. Exploration of the 10−6⩽E⩽10−7 regime could be performed at the present time using a substantial share of national supercomputing facilities or a dedicated cluster. Copyright © 2010 John Wiley & Sons, Ltd.
Mindfulness‐based stress reduction (MBSR) and distress in a community‐based sample
Authors: Evans Susan , Ferrando Stephen , Carr Corey , Haglin Dean
Published: September 2010

Background: Numerous studies have found Mindfulness‐based stress reduction (MBSR) to be useful for a wide range of problems including anxiety, pain and coping with a medical illness. The primary goal of this study was to evaluate the effectiveness of an 8‐week MBSR programme in relieving distress in a community based sample.

Methods: Subjects (n = 14) were participants in the MBSR programme at a major academic medical center and completed the Profile of Mood States (POMS) and the Mindful Attention Awareness Scale (MAAS) prior to starting the class and at the end of the 8‐week course. Means and standard deviations were computed for the pre‐and post‐POMS total and subscale measures and the MAAS. Wilcoxon Signed Ranks Test was conducted. Results: There were significant reductions on multiple dimensions of distress on the POMS as well as a significant increase in mindful awareness as measured by the MAAS.

Conclusion: These results suggest that MBSR appears to be associated with a reduction of distress and increased awareness of everyday life experiences in a sample of residents living in a large urban community. Copyright © 2010 John Wiley & Sons, Ltd.

Key Practitioner Message:

• Mindfulness‐based stress reduction (MBSR) appears to be an acceptable modality for mild to moderate psychological distress in a community sample.

• Mindfulness training is associated with reduction in psychological distress.

• Mindful Attention Awareness scale scores improved following an 8‐week MBSR course.
Synthesis and Characterization of Some Carbon Based Nanostructures
Authors: Ciupina V. , Sullivan J. , Saied S. , Vladoiu R. , Prodan G. , Oancea‐Stanescu I.M. , Mandes A. , Contulov M. , Dinca V. , Prodan M. , Manole D.
Published: September 2010

Carbon thin films were synthesized using the original Thermionic Vacuum Arc (TVA) method. Mechanical properties were investigated using Micro Materials NanoTest 500 instrument using a NT Berkovich indenter. XPS provides a quantitative analysis of the surface composition and X‐ray generated Auger electron spectroscopy (XAES) performed by Thermoelectron ESCALAB 250 revealed information about the sp3:sp2 ratio of the carbon bondings. Structure and morphology was studied by Transmission Electron Microscope CM120ST, providing information on the grain size distribution of the crystalline diamond structures (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Intracerebral estrogen provision increases cytogenesis and neurogenesis in the injured zebra finch brain
Authors: Walters Bradley J. , Alexiades Nikita G. , Saldanha Colin J.
Published: September 2010

To determine whether or not local, injury‐induced aromatization and/or estrogen provision can affect cyto‐ or neuro‐genesis following mechanical brain damage, two groups of adult male zebra finches sustained bilateral penetrating brain injuries. The first received contralateral injections of vehicle or the aromatase inhibitor fadrozole. The second group received contalateral injections of fadrozole, or fadrozole with 17β‐estradiol. Subsequent to injury, birds were injected with the thymidine analog 5‐bromo‐2′‐deoxyuridine (BrdU). Two weeks following injury, the birds were perfused, and coronal sections were labeled using antibodies against BrdU and the neuronal proteins HuC/HuD. In a double blind fashion, BrdU positive cells and BrdU/Hu double‐labeled cells in the subventricular zone (SVZ) and at the injury site (INJ) were imaged and sampled. The average numbers of cells per image were compared across brain regions and treatments using repeated measures ANOVAs and, where applicable, post‐hoc, pairwise comparisons. Fadrozole administration had no detectable effect on cytogenesis or neurogenesis, however, fadrozole coupled with estradiol significantly increased both measures. The dorsal SVZ had the greatest proportion of new cells that differentiated into neurons, though the highest numbers of BrdU labeled and BrdU, Hu double‐labeled cells were detected at the INJ. In the adult zebra finch brain, local estradiol provision can increase cytogenesis and neurogenesis, however, whether or not endogenous glial aromatization is sufficient to similarly affect these processes remains to be seen. © 2010 Wiley Periodicals, Inc. Develop Neurobiol 71: 170‐181, 2011
4d vs. 5d – Reactivity and Fate of Terminal Nitrido Complexes of Rhodium and Iridium
Authors: Schöffel Julia , Šušnjar Nevena , Nückel Stefan , Sieh Daniel , Burger Peter
Published: September 2010

The stability of (pyridinediimine)rhodium– and ‐iridium–azido complexes was studied by a combination of thermoanalytical methods (DTG/MS and DSC) and DFT calculations. On a preparative scale, the isolation and X‐ray crystallographic characterization of the thermolysis products confirmed intramolecular C–H activation processes with concomitant reorganisation of C–C, C–N, N–H and Ir–N bonds to yield tuck‐in complexes with a different constitution of the ligand framework for the Rh and Ir products. The tentatively formed (Rh) or initially present (Ir) nitrido unit was converted into either an amine (Rh) or amido (Ir) moiety. Furthermore, the dimerization of the nitrido complexes to the corresponding dinitrogen compounds, i.e. 2 LnM≡N → LnM–N2–MLn, was investigated. Experimental evidence for the relevance of this step was provided by the isolation and X‐ray crystallographic characterization of a related dinuclear N2‐bridged (pyridinediimine)dirhodium complex. DFT calculations revealed that the formation of dinitrogen complexes is thermodynamically strongly favourable and evidenced that the previous isolation of a terminal iridium–nitrido complex was possible due to a high barrier for the dimerization process and a sizeable barrier for the intramolecular C–H activation step.
Trans octadecenoic fatty acid (TFA) isomers in German foods and bakery goods
Authors: Fritsche Jan , Petersen Katharina D. , Jahreis Gerhard
Published: September 2010

In the present study, 122 food samples from the German food market were analysed for their C18:1 trans fatty acid (TFA) content and profile. A particular focus of the survey were baked and fried foods. TFA analysis was performed by means of silver ion SPE (Ag+‐SPE) in combination with high‐resolution GC (HRGC‐FID). Overall, 51 bakery product samples were analysed of which 25 samples were prepacked bakery products purchased from local retail stores and 26 samples of unpacked bakery products purchased from local bakery shops. In addition, 14 French fries samples obtained from small local fast food restaurants as well as from internationally operating fast food chains, 27 potato and tortillas chips, 15 instant soups as well as 15 dry culinary sauces were analysed. The highest amounts of C18:1 TFA isomers were found in deep‐fried bakery products. Prepacked branded cookies and biscuits on the other hand contained only negligible C18:1 TFA amounts. Regarding their C18:1 trans isomer profile most deep‐fried bakery products exhibited a Gaussian‐distributed isomer profile. The analysed prepacked croissants, cookies and biscuits contained predominantly ruminant TFA (TFA) as suggested by the presence of vaccenic acid (C18:1 trans 11), which was the major C18:1 TFA isomer in these products. All non‐bakery samples (n = 71) contained less than 3 g C18:1 TFA per 100 g fat. In conclusion, TFA still occur in considerable amounts in a few German food products, especially in some deep‐fried bakery products (‘Berliner’ type of doughnuts).

Practical applications: Trans fatty acids, in particular the trans octadecenoic fatty acid isomers (C18:1), are generally considered from the nutritional point of view as undesirable food components due to their negative health effects. Tremendous efforts have been made by major food processors in order to decrease or even eliminate the presence of TFA in some foodstuffs (e.g. in margarines in European countries). However, some food processors of other food sectors are still applying oils and fats containing partially hydrogenated vegetable oils, whereas others within the same food category have already switched their processing conditions and/or raw materials towards TFA alternatives. Therefore, actual TFA data of foodstuffs determined by means of state‐of‐the‐art analytical procedures (Ag+‐SPE in combination with GC‐FID) is necessary to detect areas of further improvement in the food supply chain and to provide data for an update of dietary TFA intake.
An Efficient Synthesis of 7‐(Arylmethyl)‐3‐tert‐butyl‐1‐phenyl‐6,7‐dihydro‐1H,4H‐pyrazolo[3,4‐d][1,3]oxazines
Authors: Abonia Rodrigo , Castillo Juan , Insuasty Braulio , Quiroga Jairo , Nogueras Manuel , Cobo Justo
Published: September 2010

An efficient and three‐step procedure for the synthesis of novel 6,7‐dihydro‐1H,4H‐pyrazolo[3,4‐d][1,3]oxazine derivatives in good to excellent yields by treatment of pyrazolamines with aqueous formaldehyde in the presence of acetic acid is provided. The reactions proceeded through an intramolecular etherification process by dehydration of a 1,5‐diol intermediate formed in the course of the reaction and promoted by acid media.
A Xanthene–Benzimidazole Receptor with Multiple H‐Bond Donors for Carboxylic Acids
Authors: Muñiz Francisco M. , Alcázar Victoria , Sanz Francisca , Simón Luis , Fuentes de Arriba Ángel L. , Raposo César , Morán Joaquín R.
Published: September 2010

The combination of two benzimidazole moieties with a spacer formed by a leucine unit and a xanthene skeleton provides an efficient receptor for neutral guests with oxygen atoms such as sulfoxides, ketones, or alcohols. 1H NMR and UV spectroscopic techniques have been used to evaluate its binding ability. These experiments indicated the largest association constants for carboxylic acids and different binding stoichiometries. The structures of these different complexes were studied both in solution and in the solid state. Fluorescence of anthracenecarboxylic acid is strongly quenched in the presence of receptor 1, and therefore, this system could be used to sense the presence of stronger carboxylic acids and anions like chloride.
Asymmetric Synthesis of O‐Protected Acyloins Using Enoate Reductases: Stereochemical Control through Protecting Group Modification
Authors: Winkler Christoph K. , Stueckler Clemens , Mueller Nicole J. , Pressnitz Desiree , Faber Kurt
Published: September 2010

O‐Protected cyclic acyloins were obtained in nonracemic form through asymmetric bioreduction of α,β‐unsaturated alkoxy ketones by using 11 different enoate reductases from the “Old Yellow Enzyme” family. The stereochemical outcome of the biotransformation could be switched by variation of the O‐protecting group or by the ring size of the substrate, which allows access to both stereoisomers in up to >97 % ee Whereas α‐alkoxy enones were readily accepted as substrates, β‐analogs were not converted. Overall, α‐alkoxy enones represent a novel type of substrate for flavin‐dependent ene‐reductases.
Regiocontrolled Synthesis of Ring‐Fused Thieno[2,3‐c]pyrazoles through 1,3‐Dipolar Cycloaddition of Nitrile Imines with Sulfur‐Based Acetylenes
Authors: Chandanshive Jay Zumbar , Bonini Bianca Flavia , Gentili Denis , Fochi Mariafrancesca , Bernardi Luca , Franchini Mauro Comes
Published: September 2010

1,3‐Dipolar cycloadditions of C‐carboxymethyl‐N‐arylnitrile imines with substituted acetylenes bearing thiol or sulfone groups were studied. The sulfur controls the regiochemistry of the reaction, and this protocol was applied to the synthesis of ring‐fused thieno[2,3‐c]pyrazoles.
A multivariate approach to the analysis of air quality in a high environmental risk area
Authors: Pollice Alessio , Jona Lasinio Giovanna
Published: September 2010

This study analyzes air quality data in the Taranto municipal area. This is a high environmental risk region being characterized by the massive presence of industrial sites with elevated environmental impact activities. We focus on three pollutants formed by combustion processes and related to meteorological conditions, namely particulate matter, sulphur dioxide, and nitrogen dioxide. Preliminary analysis involved addressing several data problems. First of all an imputation technique was considered to cope with the large number of missing data. Missing data imputation was addressed by a leave‐one‐out procedure based on the recursive Bayesian estimation and prediction of spatial linear mixed effects (LME) models enriched by a time‐recursive prior structure. Secondly, a unique daily weather database at the city level was obtained combining data from three stations, characterized by gaps and unreliable measurements. Spatio‐temporal modeling of the multivariate normalized daily pollution data was then performed within a Bayesian hierarchical framework, including time varying weather covariates and a semi‐parametric spatial covariance structure. Daily estimates of the pollutants' concentration surfaces allow us to identify areas of higher concentration (hot spots), possibly related to specific anthropic activities. Copyright © 2010 John Wiley & Sons, Ltd.
Efficient immune‐GA method for DNOs in sizing and placement of distributed generation units
Authors: Soroudi Alireza , Ehsan Mehdi
Published: September 2010

This paper proposes a hybrid heuristic optimization method based on genetic algorithm and immune systems to maximize the benefits of Distribution Network Operators (DNOs) accrued due to sizing and placement of Distributed Generation (DG) units in distribution networks. The effects of DG units in reducing the reinforcement costs and active power losses of distribution network have been investigated. In the presented method, the integration of DG units in distribution network is done considering both technical and economical aspects. The strength of the proposed method is evaluated by applying it on a small and a realistic large scale distribution network and the results are compared with analytical classic and other heuristic methods and discussed. Copyright © 2010 John Wiley & Sons, Ltd.
A multivariate forecasting method for short‐term load using chaotic features and RBF neural network
Authors: Liu Yuming , Lei Shaolan , Sun Caixin , Zhou Quan , Ren Haijun
Published: September 2010

This paper presents a multivariate forecasting method for electric short‐term load using chaos theory and radial basis function (RBF) neural networks. To apply the method, the largest Lyapunov exponent and correlation dimension are firstly calculated which show the electric load series is essentially a chaotic time series. Then, a multivariate chaotic prediction method is proposed taking historical load and temperature into account. Phase space reconstruction of a univariate time series is extended to construct a multivariate time series. Delay time and embedding dimension of the historical load series and temperature series are determined by mutual information and minimal forecasting error, respectively. Finally, a three‐layer RBF neural network is employed to forecast the load of one day ahead and one week ahead. Real load data of Chongqing Power Grid are tested. Daily and weekly forecasting results show that the proposed multivariate approach improves the accuracy of forecasting significantly comparing with the univariate methods. Discussion of forecasting error and future work are also presented. As an efficient and effective alternative for STLF, the chaos theory based multivariate forecasting is feasible for potential application. Copyright © 2010 John Wiley & Sons, Ltd.
Impact of power factor regulation on small‐signal stability of power distribution systems with distributed synchronous generators
Authors: Salim R. H. , Kuiava R. , Ramos R. A. , Bretas N. G.
Published: September 2010

Distributed generation (DG) usage is increasing nowadays, specially in the wider sense of microgrids. Its technical impacts and restrictions are still under study, and in several aspects are kept almost untouched. One of these aspects is the small‐signal stability of distribution systems in the presence of distributed synchronous generators (DSG). This paper deals with such problem, presenting a comprehensive small‐signal stability study of a system under the specified conditions. The study considers two types of excitation control for synchronous generators: voltage and power factor. The focus, however, is on the latter, since it is the most widely used in distributed generators connected to distribution grids. Thus, a comparative analysis between these two control strategies is performed, allowing the investigation of their effects on the small‐signal stability of a power distribution system (PDS). This comparative analysis is performed with respect to the characteristics of its electromechanical oscillation modes (EOM) under several DG penetration levels. Copyright © 2010 John Wiley & Sons, Ltd.