bluuebunny/crossref_metadata_2025_split huggingface dataset:
Congenital heart defects and major structural noncardiac anomalies in Alberta, Canada, 1995–2002
Authors: Lowry R. Brian , Bedard Tanya , Sibbald Barbara , Harder Joyce R. , Trevenen Cynthia , Horobec Vera , Dyck John D. 
Published: February 2013

AbstractBACKGROUNDAlthough the majority of congenital heart defects (CHDs) occur in isolation, a significant number occur with noncardiac anomalies. This study determined the proportion of noncardiac anomalies among CHD cases in Alberta.METHODSRecords of infants and children born in Alberta between January 1, 1995, to December 31, 2002, were searched using multiple sources of ascertainment in addition to the Alberta Congenital Anomalies Surveillance System (ACASS) (Alberta Health and Wellness, 2012). Each case was assigned to one CHD category and was further categorized into one of the following groups: isolated CHD, syndromes, chromosomal, associations and sequences, teratogens, Mendelian, neoplasia, heterotaxy, multiple minor anomalies, and multiple major anomalies.RESULTSOf all 3751 CHD cases (prevalence 12.42/1000 total births: confidence interval, 12.03–12.83), 75% were isolated, 10% had a chromosomal etiology, and 9% had multiple major anomalies. All other categories accounted for <2% each. The most commonly associated major noncardiac anomalies were musculoskeletal (MSK) (24%) followed by anomalies of the urinary tract (14%), gastrointestinal system (GI) (11%), and central nervous system (CNS) (11%).CONCLUSIONSThis is both a population‐based and clinical study using a classification scheme that could help to determine possible etiologic factors contributing to CHD. By eliminating known etiologies such as chromosomal and single gene, future studies can focus on the remainder to evaluate possible preventive measures. The most commonly associated major noncardiac anomalies involve the MSK system, followed by the urinary, GI, and CNS systems. Birth Defects Research (Part A) 2013. © 2013 Wiley Periodicals, Inc.
Insights into CC Coupling in CO2 Electroreduction on Copper Electrodes
Authors: Montoya Joseph H. , Peterson Andrew A. , Nørskov Jens K. 
Published: January 2013

AbstractWe present a first‐principles theoretical study of carbon–carbon coupling in CO2 electroreduction on the copper 2 1 1 surface. Using DFT, we have determined kinetic barriers to the formation of a CC bond between adsorbates derived from CO. The results of our nudged elastic band calculations demonstrate that kinetic barriers to CC coupling decrease significantly with the degree of hydrogenation of reacting adsorbates. We also show that this trend is not affected by the electrical fields present at the solid‐electrolyte interface during electrocatalysis. Our results explain how copper can catalyze the production of higher hydrocarbons and oxygenates in the electrochemical environment, despite producing only single carbon atom products in gas‐phase catalysis, and how CC bonds can be formed at room temperature in the electrochemical environment, whereas substantially higher temperatures are needed in the Fischer–Tropsch catalysis. The unique feature of the electrochemical environment is that the chemical potential of hydrogen (electrons and protons) can be varied through the applied potential. This allows a variation of the degree of hydrogenation of the reactants and thus the activation barrier for CC coupling.
Telomerase Inhibitors from Cyanobacteria: Isolation and Synthesis of Sulfoquinovosyl Diacylglycerols from Microcystis aeruguinosa PCC 7806
Authors: Makhlouf Brahmi Malika , Portmann Cyril , D'Ambrosio Danilo , Woods Tom M. , Banfi Damiano , Reichenbach Patrick , Da Silva Laeticia , Baudat Emilie , Turcatti Gerardo , Lingner Joachim , Gademann Karl 
Published: January 2013

AbstractBy using the Telospot assay, 27 different extracts of cyanobacteria were evaluated for telomerase inhibition. All extracts showed varying, but significant activity. We selected Microcystis aeruguinosa PCC 7806 to identify the active compound and a bioassay guided fractionation led us to isolate mixtures of sulfoquinovosyl diacylglycerols (SQDGs), which were identified by 2D NMR and MS/MS experiments. Pure SQDG derivatives were then synthesized. The IC50 values of pure synthetic sulfoquinovosyl dipalmitoylglycerol and the monopalmitoylated derivative against telomerase were determined to be 17 and 40 μM, respectively. A structure–activity relationship study allowed the identification of compounds with modified lipophilic acyl groups that display improved activity.
On the Mechanism of the Dehydroaromatization of Hexane to Benzene by an Iridium Pincer Catalyst
Authors: Thawani Akanksha , Rajeev Ramanan , Sunoj Raghavan B. 
Published: January 2013

AbstractThe developments in the area of transition‐metal pincer complexes have opened up new avenues for conversion of saturated hydrocarbons to more useful aromatic compounds under homogeneous reaction conditions. In the backdrop of an interesting series of conversions of unbranched alkanes to benzene, toluene, and xylene (known as the BTX family aromatics) reported by Goldman and co‐workers (Nature Chem. 2011, 3, 167), we herein present a comprehensive mechanistic picture obtained by using density functional computations. The reaction involves an iridium–PCP‐pincer‐catalyzed dehydroaromatization of hexane to benzene (in which PCP=η3‐C6H3(iPrP)2‐1,3) by using tert‐butylethylene (TBE) as a sacrificial acceptor. The most energetically preferred pathway for a sequence of dehydrogenations is identified to begin with a terminal CH bond activation of n‐hexane leading to the formation of hex‐1‐ene. Although the initial dehydrogenation of n‐hexane was found to be endergonic, the accompanying exoergic hydrogenation of TBE to tert‐butylethane (TBA) compensates the energetics to keep the catalytic cycle efficient. Subsequent dehydrogenations provide a hexa‐1,3‐diene and then a hexa‐1,3,5‐triene. The pincer bound triene is identified to undergo cyclization to furnish cyclohexadiene. Eventually, dehydrogenation of cyclohexa‐1,3‐diene offers benzene. In the most preferred pathway, the Gibbs free energy barrier for cyclization leading to the formation of cyclohexa‐1,3‐diene is found to exhibit the highest barrier (21.7 kcal mol−1).
Templating Irreversible Covalent Macrocyclization by Using Anions
Authors: Kataev Evgeny A. , Kolesnikov Grigory V. , Arnold Rene , Lavrov Herman V. , Khrustalev Victor N. 
Published: January 2013

AbstractInorganic anions were used as templates in the reaction between a diamine and an activated diacid to form macrocyclic amides. The reaction conditions were found to perform the macrocyclization sufficiently slow to observe a template effect. A number of analytical methods were used to clarify the reaction mechanisms and to show that the structure of the intermediate plays a decisive role in determining the product distribution. For the macrocyclization under kinetic control, it was shown that the amount of a template, the conformational rigidity of building blocks, and the anion affinities of reaction components and intermediates are important parameters that one should take into consideration to achieve high yields.
Evolution of hierarchical‐structured CaCO3 in binary mixed solvent
Authors: Wang Lina , Jin Dalai , Wang Longcheng 
Published: January 2013

AbstractCalcium carbonate with hierarchical structure was synthesized in water/organic compound binary soluvent by a chemical solution process within CaCl2/NaCO3 reaction system. Acetone, isopropanol, glycol, tetrahydrofuran were selected as the organic compound. Evolution of the hierarchical structure of CaCO3 was investigated. The as‐prepared products were characterized by X‐ray diffraction (XRD) and scanning electron microscopy (SEM). CaCO3 aggregations with spicate hierarchical structure were obtained with a high volume fraction of the organic solvent. Aspect ratio of the hierarchical structure increases to the highest when the volume fraction was 50%. Solvent with low dielectric constant was conducive to the oriented aggregation of the CaCO3 grains.
Robust Cycling of Li–O2 Batteries through the Synergistic Effect of Blended Electrolytes
Authors: Kim Byung Gon , Lee Je‐Nam , Lee Dong Jin , Park Jung‐Ki , Choi Jang Wook 
Published: February 2013

AbstractDespite their exceptionally large specific capacities, the use of Li–O2 batteries has been limited because of their poor cycle lives, which originates from irreversible reaction processes during each cycle. Recent investigations have found that electrolyte decomposition is one of the most critical reasons for capacity decay. Herein, we report that a blended electrolyte, consisting of a carbonate solvent and an ionic liquid, improves the cycle lives of Li–O2 batteries remarkably through a synergistic effect from both components. Both electrolyte components perform complementary functions to each other: The ionic liquid suppresses the decomposition of the carbonate solvent, and the carbonate solvent resolves the poor ionic conductivity of the ionic liquid. This study confirms the importance and opportunities for the use of electrolytes in Li–O2 batteries.
X‐Ray Diagnostics of Ultrashort Laser‐Driven Plasma: Experiment and Simulations
Authors: Ivanov K.A. , Shulyapov S.A. , Turinge A.A. , Brantov A.V. , Uryupina D.S. , Volkov R.V. , Rusakov A.V. , Djilkibaev R.M. , Nedorezov V.G. , Bychenkov V.Yu. , Savel'ev A.B. 
Published: January 2013

AbstractThe complex approach combining experimental data on X‐ray diagnostics of plasma, the results of the numerical PIC simulation of laser‐plasma interaction (namely – fast electron spectra), as well as Monte‐Carlo calculation of the resulted X‐ray spectrum is presented. Direct comparison of the experimental and simulated X‐ray spectra (obtained at laser pulse intensity of 2.5 × 1018 W/cm2) revealed differences in the mean slope and cutoff of the two spectra. In particular experimental data exhibited twice higher slope. The possible explanations of the observed discrepancies are further discussed. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
RFNC–VNIIEF Study Into Interaction Between Intense Laser Pulses and Matter
Authors: Belkov S. A. , Rukavishnikov N. N. , Garanin S. G. 
Published: January 2013

AbstractThe results of petawatt laser system development in RFNC–VNIIEF and preliminary experiments of laser‐matter interaction at intencity about 1019 W/cm2 are presented. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Atomistic Modeling of Warm Dense Matter in the Two‐Temperature State
Authors: Norman G. E. , Starikov S. V. , Stegailov V. V. , Saitov I. M. , Zhilyaev P. A. 
Published: January 2013

AbstractWarm dense matter is the state between the heated condensed matter and plasma. The importance of the development of warm dense matter theoretical description is determined by the fact that such conditions may arise in the variety of different scientific and industrial applications. For instance, warm dense matter is formed: in the matter impacted by femto‐ and picoseconds laser pulses; in nuclear materials at the formation of radiation track, etc. In these phenomena, the initial state of the system is a two‐temperature state and the electron temperature may be several orders higher than the ion one. In this work, the attempt of development of the united atomistic model of a warm dense matter is carried out. The special consideration is given to the twotemperature effects and the influence of the electron pressure on the behavior of ions. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
High‐Intensity Laser Triggered Proton Acceleration from Ultrathin Foils
Authors: Brantov A. , Bychenkov V. Yu. , Romanov D. V. , Dollar F. , Maksimchuk A. , Krushelnick K. 
Published: January 2013

AbstractThe recently developed PIC code MANDOR features arbitrary target design including 3D preplasma and the 6‐component laser fields of a tightly focused laser beam. The 3D simulations have been performed to model recent HERCULES experiments on proton acceleration, where protons with energy greater than 20 MeV were produced using just 1.5 J laser pulses focused to intensity of 2 × 1021 W/cm2. By adapting the 3D target geometry relating to ps‐prepulse effect, reasonable agreement with experimental data for the proton energy spectrum has been achieved. The effect of the 3D preplasma shape on efficiency of proton acceleration is discussed. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Demographic and personal factors associated with metabolic control and self‐care in youth with type 1 diabetes: a systematic review
Authors: Neylon Orla M. , O'Connell Michele A. , Skinner Timothy C. , Cameron Fergus J. 
Published: January 2013

SummaryOptimal use of recent technological advances in insulin delivery and glucose monitoring remain limited by the impact of behaviour on self‐care. In recent years, there has been a resurgence of interest in psychosocial methods of optimizing care in youth with type 1 diabetes. We therefore sought to examine the literature for demographic, interpersonal and intrapersonal correlates of self‐care and/or metabolic control. Studies for this systematic review were obtained via an electronic search of Medline, Embase, Cumulative Index to Nursing and Allied Health Literature and PsycINFO databases.Seventy studies fulfilled the inclusion criteria. These studies have indicated that identifiable individual characteristics in each domain are robustly associated with metabolic control and/or self‐care in children and adolescents. We present these characteristics and propose a theoretical model of their interactions and effect on diabetes outcomes.There is currently no consensus regarding patient selection for insulin pump therapy. In this era of scarce healthcare resources, it may be prudent to identify youth requiring increased psychosocial support prior to regimen intensification. The importance of this review lies in its potential to create a framework for rationally utilizing resources by stratifying costly therapeutic options to those who, in the first instance, will be most likely to benefit from them. Copyright © 2013 John Wiley & Sons, Ltd.
Early gene expression divergence between allopatric populations of the house mouse (Mus musculus domesticus)
Authors: Bryk Jarosław , Somel Mehmet , Lorenc Anna , Teschke Meike 
Published: January 2013

AbstractDivergence of gene expression is known to contribute to the differentiation and separation of populations and species, although the dynamics of this process in early stages of population divergence remains unclear. We analyzed gene expression differences in three organs (brain, liver, and testis) between two natural populations of Mus musculus domesticus that have been separated for at most 3000 years. We used two different microarray platforms to corroborate the results at a large scale and identified hundreds of genes with significant expression differences between the populations. We find that although the three tissues have similar number of differentially expressed genes, brain and liver have more tissue–specific genes than testis. Most genes show changes in a single tissue only, even when expressed in all tissues, supporting the notion that tissue–specific enhancers act as separable targets of evolution. In terms of functional categories, in brain and to a smaller extent in liver, we find transcription factors and their targets to be particularly variable between populations, similar to previous findings in primates. Testis, however, has a different set of differently expressed genes, both with respect to functional categories and overall correlation with the other tissues, the latter indicating that gene expression divergence of potential importance might be present in other datasets where no differences in fraction of differentially expressed genes were reported. Our results show that a significant amount of gene expression divergence quickly accumulates between allopatric populations.
Electronic Current Distribution Calculation for a Ni‐YSZ Solid Oxide Fuel Cell Anode
Authors: Childs N. B. , Law C. , Smith R. , Sofie S. , Key C. , Kopcyzk M. , Lerch M. 
Published: February 2013

AbstractA simulation of a nickel‐yttrium stabilized zirconium oxide (Ni‐YSZ) solid oxide fuel cell cermet anode was used to determine the electronic current distribution within the percolating networks of nickel particles distributed in the electrode. The anode is simulated via a Monte–Carlo percolation model and current distribution is calculated via a relaxation algorithm. Nickel particle current densities are reported as a ratio to the total anode current density allowing results to be applied to any anode current density. Calculated current distributions were drastically affected by the volume percent of nickel as well as anode porosity. Experiments were performed to determine failure current densities of thin nickel wires to establish the relationship between critical current densities and surface area or volume of the wires. Both reducing and oxidizing environments were used for these measurements over a temperature range up to 800 °C.
The Temporal Expectations of Schooling and Literacy Learning Jermaine's Story
Authors: Compton‐Lilly Catherine F. 
Published: January 2013

AbstractAlthough the term chronotope may be unfamiliar, the meaning and significance of the construct resonate with many ELA teachers. Chronotope (Bakhtin, ) captures how people come to make sense of stories and the characters that inhabit those stories. In this longitudinal case study, chronotope is used to explore what school literacy experiences offer, allow, and reject in terms of identity construction, providing students with possibilities for change, malleable sequences, connections to the world beyond school, and opportunities for critique. This analysis reveals how school policies and expectations carry meanings about who Jermaine is as a student and as a reader. Chronotopic motifs related to schooling and literacy characterize Jermaine as a particular type of student and invoke probable school trajectories. The article closes with implications for teachers designed to support students, like Jermaine, who struggle to meet the expectations imposed by schools.
Combinations of parabens at concentrations measured in human breast tissue can increase proliferation of MCF‐7 human breast cancer cells
Authors: Charles Amelia K. , Darbre Philippa D. 
Published: January 2013

ABSTRACTThe alkyl esters of p‐hydroxybenzoic acid (parabens), which are used as preservatives in consumer products, possess oestrogenic activity and have been measured in human breast tissue. This has raised concerns for a potential involvement in the development of human breast cancer. In this paper, we have investigated the extent to which proliferation of MCF‐7 human breast cancer cells can be increased by exposure to the five parabens either alone or in combination at concentrations as recently measured in 160 human breast tissue samples. Determination of no‐observed‐effect concentrations (NOEC), lowest‐observed‐effect concentrations (LOEC), EC50 and EC100 values for stimulation of proliferation of MCF‐7 cells by five parabens revealed that 43/160 (27%) of the human breast tissue samples contained at least one paraben at a concentration ≥ LOEC and 64/160 (40%) > NOEC. Proliferation of MCF‐7 cells could be increased by combining all five parabens at concentrations down to the 50th percentile (median) values measured in the tissues. For the 22 tissue samples taken at the site of ER + PR + primary cancers, 12 contained a sufficient concentration of one or more paraben to stimulate proliferation of MCF‐7 cells. This demonstrates that parabens, either alone or in combination, are present in human breast tissue at concentrations sufficient to stimulate the proliferation of MCF‐7 cells in vitro, and that functional consequences of the presence of paraben in human breast tissue should be assessed on the basis of all five parabens and not single parabens individually. Copyright © 2013 John Wiley & Sons, Ltd.
Aluminum Complexes of Tridentate Amine Biphenolate Ligands Containing Distinct N‐alkyls: Synthesis and Catalytic Ring‐opening Polymerization
Authors: Liang Lan‐Chang , Lin Sheng‐Ta , Chien Chia‐Cheng 
Published: February 2013

AbstractA series of aluminum complexes of amine biphenolate ligands that contain distinct N‐alkyl substituents have been prepared and employed for ring‐opening polymerization (ROP) of ϵ‐caprolactone (ϵ‐CL). Alkane elimination of trimethylaluminum with H2[R‐ONO] ([R‐ONO]2− = [RN(CH2‐2‐O‐3,5‐C6H2(tBu)2)2]2−; R = tBu (1a), iPr (1b), nPr (1c)) in toluene solutions at 25 °C produces colorless crystalline [R‐ONO]AlMe (2a‐c). X‐ray diffraction studies of these organoaluminum complexes showed them to be four‐coordinate species having a distorted tetrahedral coordination core. In the presence of benzyl alcohol, complexes 2a‐c are all active catalyst precursors for ROP of ϵ‐CL. The ROP rates of ϵ‐CL are clearly a function of the steric sizes of the N‐alkyl substituents, following an increasing order 2a < 2b < 2c. Interestingly, both 2b and 2c exhibit controlled ROP catalysis whereas 2a gives low molecular weight oligomers under identical conditions. In ROP catalyzed with 2b or 2c, the ϵ‐CL disappearance rates follow pseudofirst order kinetics, with the latter being about 2.86(2) times faster than the former. Complex 2b outperforms 2c in view of maintaining controlled ROP catalysis in reactions with extremely high monomerto‐catalyst ratios. The complex constitution‐reactivity relationship is discussed.
Clarification of rubber mill wastewater by a plant based biopolymer – comparison with common inorganic coagulants
Authors: Mukherjee Sumona , Pariatamby Agamuthu , Sahu Jaya Narayan , Sen Gupta Bhaskar 
Published: January 2013

AbstractBackgroundIn this study, the efficiency of Guar gum as a biopolymer has been compared with two other widely used inorganic coagulants, ferric chloride (FeCl3) and aluminum chloride (AlCl3), for the treatment of effluent collected from the rubber‐washing tanks of a rubber concentrate factory. Settling velocity distribution curves were plotted to demonstrate the flocculating effect of FeCl3, AlCl3 and Guar gum. FeCl3 and AlCl3 displayed better turbidity removal than Guar gum at all settling velocities.ResultFeCl3, AlCl3 and Guar gum removed 92.8%, 88.2% and 88.1% turbidity, respectively, of raw wastewater at a settling velocity of 0.1 cm min−1, respectively. Scanning electron microscopic (SEM) study conducted on the flocs revealed that Guar gum and FeCl3produced strong intercoiled honeycomb patterned floc structure capable of entrapping suspended particulate matter. Statistical experimental design Response Surface Methodology (RSM) was used to design all experiments, where the type and dosage of flocculant, pH and mixing speed were taken as control factors and, an optimum operational setting was proposed.ConclusionDue to biodegradability issues, the use of Guar gum as a flocculating agent for wastewater treatment in industry is highly recommended. © 2013 Society of Chemical Industry