bluuebunny/crossref_metadata_2025_split huggingface dataset:
Perfluorinated Cobalt Phthalocyanine Effectively Catalyzes Water Electrooxidation
Authors: Morlanés Natalia , Joya Khurram S. , Takanabe Kazuhiro , Rodionov Valentin 
Published: December 2014

AbstractEfficient electrocatalysis of water oxidation under mild conditions at neutral pH was achieved by a fluorinated cobalt phthalocyanine immobilized on fluorine‐doped tin oxide (FTO) surfaces with an onset potential at 1.7 V vs. RHE. Spectroscopic, electrochemical, and inhibition studies indicate that phthalocyanine molecular species are the operational active sites. Neither free cobalt ions nor heterogeneous cobalt oxide particles or films were observed. During long‐term controlled‐potential electrolysis at 2 V vs. RHE (phosphate buffer, pH 7), electrocatalytic water oxidation was sustained for at least 8 h (TON ≈ 1.0 × 105), producing about 4 μmol O2 h–1 cm–2 with a turnover frequency (TOF) of about 3.6 s–1 and no measurable catalyst degradation.
Trimethylsilyl Iodide Mediated One‐Pot Synthesis of 2‐Allyl‐2H‐chromenes
Authors: Padhi Birakishore , Reddy D. Srinivas , Mohapatra Debendra K. 
Published: December 2014

AbstractA new and efficient metal‐free trimethylsilyl iodide (TMSI) catalyzed one‐pot synthesis of 2‐allyl‐2H‐chromenes has been developed that takes place under mild conditions. The synthesis proceeds through a Wittig reaction by using (triphenylphosphoranylidene)acetaldehyde to form an o‐hydroxycinnamaldehyde derivative followed by a tandem isomerization and C–O and C–C bond‐forming reactions. The procedure was carried out at room temperature in the presence of 20 mol‐% of TMSI and allyltrimethylsilane in tetrahydrofuran (THF) and provided the 2‐allyl‐2H‐chromenes in good to excellent yields.
Design and Characterization of 4,5‐Bis(diarylamino)phthalic Acid Diesters as a New Class of Fluorophores Exhibiting Efficient Blue Emission in the Solid State
Authors: Shimizu Masaki , Tamagawa Tomokazu 
Published: December 2014

AbstractWe developed 4,5‐bis(diarylamino)phthalic acid diesters as blue fluorophores exhibiting efficient photoluminescence in powder and in a thin film of pol(methyl methacrylate). Increasing the electron‐donating nature of the substituents in the para positions of the diarylamino moieties in the dimethyl esters increased the redshift in the fluorescence spectrum. Replacing the methoxycarbonyl groups with aryloxylcarbonyl groups also induced a bathochromic shift in the fluorescence spectrum. Thus, the color of the emission was finely tuned by simple molecular modification. Single‐crystal X‐ray analysis revealed a twisted conformation with loose packing in the crystal. Density functional theory calculations suggested that the excitation process was governed by intramolecular charge transfer from the diarylamino moieties to the alkoxycarbonyl groups.
A General and Efficient Method to Access Tetracyclic Spirooxindole Derivatives
Authors: El Bouakher Abderrahman , Massip Stéphane , Jarry Christian , Troin Yves , Abrunhosa‐Thomas Isabelle , Guillaumet Gérald 
Published: December 2014

AbstractAn efficient, simple, and convenient synthetic procedure for the synthesis of tetracyclic spirooxindole derivatives, starting from N‐protected isatins and 2‐fluoropyridine, was successfully developed. It enables the facile formation of a new class of spirooxindoles in which the oxindole core is fused with various heterocycles at the C‐3 position.
Solid‐Phase Synthesis of Oligonucleotide 5′‐(α‐P‐Thio)triphosphates and 5′‐(α‐P‐Thio)(β,γ‐methylene)triphosphates
Authors: Thillier Yann , Sallamand Corinne , Baraguey Carine , Vasseur Jean‐Jacques , Debart Françoise 
Published: December 2014

AbstractA robust solid‐phase synthesis was developed to obtain original oligonucleotides (ONs) functionalized at their 5′ end with modified triphosphate (TP) moieties, in which a nonbridging oxygen atom of the α phosphorus atom was replaced by a sulfur atom and the labile P–O–P linkage was changed into a methylene bridge between the β and γ phosphorus atoms. The efficient method is based on solid‐supported ON assembly followed by 5′‐H‐phosphonylation, oxidation to the thiophosphate subsequently activated as a phosphoanhydride with diphenyl phosphoryl chloride, then nucleophilic substitution with the alkylammonium salt of pyrophosphate or its β,γ‐methylene analogue. After deprotection and release from the solid support under basic conditions, 5′‐(α‐P‐thio)TP and 5′‐(α‐P‐thio)(β,γ‐methylene)TP oligonucleotides were obtained in satisfactory yields, and they were isolated with high purity. These hydrolysis‐resistant 5′‐TP ONs will be useful in biological research to elucidate the mechanism of enzymes involved in mRNA processing and maturation.
Presence and predictors of persistent pain among persons who sustained an injury in a road traffic crash
Authors: Gopinath B. , Jagnoor J. , Nicholas M. , Blyth F. , Harris I.A. , Casey P. , Cameron I.D. 
Published: December 2014

AbstractBackgroundThere is a paucity of prospective studies with long follow‐up that have examined a wide range of correlates associated with persistent pain outcomes in persons who sustained a mild or moderate injury in a road traffic crash. This study aimed to establish the independent predictors of pain severity over 24 months.MethodsA total of 364, 284 and 252 persons with mild/moderate musculoskeletal injuries sustained in a vehicle‐related crash participated in telephone interviews in the subacute phase, and at 12 and 24 months, respectively. The numeric rating scale (NRS) assessed pain severity. Pain‐Related Self‐Statements Scale‐Catastrophizing (PRSS‐Catastrophizing) and the Short Form Orebro Musculoskeletal Pain Screening Questionnaire (OMPSQ) were also administered.ResultsAfter multivariable adjustment, each 1 SD increase in Short Form‐12 Physical Component Score (SF‐12 PCS) in the subacute phase was associated with 0.73 (p = 0.002) and 1.11 (p < 0.0001) decrease in NRS scores after 12 and 24 months, respectively. Each unit increase in the PRSS‐Catastrophizing score in the subacute phase was associated with 0.54 (p = 0.001) and 0.43 (p = 0.03) increase in NRS scores 12 and 24 months later, respectively. Subacute phase OMPSQ scores were positively associated with NRS scores at 12‐ and 24‐month follow‐ups (p < 0.0001).ConclusionsSelf‐perceived physical well‐being, pain‐related work disability and pain catastrophizing could play a role in determining long‐term pain‐related outcomes following traffic‐related injuries.
Optimization of Os‐Complex Modified Redox Polymers for Improving Biocatalysis of PQQ‐sGDH Based Electrodes
Authors: Pinyou Piyanut , Pöller Sascha , Chen Xingxing , Schuhmann Wolfgang 
Published: December 2014

AbstractA variety of Os‐complex modified redox polymers were synthesized and optimized for an improved bioelectrochemical communication with PQQ‐sGDH. The properties of the polymers were varied by changing the monomers composition leading to improved immobilization and increased enzyme loading. Three Os‐complexes were designed exhibiting different ligands but similar redox potentials adapted for efficient electron transfer with PQQ‐sGDH. Effects of the ligand sphere, polymer backbone and length of the tether chain between Os‐complex and polymer backbone as well as the impact of different bifunctional crosslinkers on the catalytic current were evaluated. The optimized bioelectrodes exhibited significantly improved catalytic currents and stability.
On‐Site Determination of Carbendazim, Cathecol and Hydroquinone in Tap Water Using a Homemade Batch Injection Analysis Cell for Screen Printed Electrodes
Authors: Caramit Ricardo Pini , Lucca Bruno Gabriel , Souza Ferreira Valdir , Abarza Munoz Rodrigo Alejandro , Richter Eduardo Mathias , da Silva Rodrigo Amorim Bezerra 
Published: December 2014

AbstractIn this work, we present a simple homemade batch‐injection analysis cell for screen‐printed electrodes (BIA‐SPE). The potential of the proposed system for on‐site analysis was demonstrated by the determination of carbendazim, catechol, and hydroquinone in tap water. The system provided reduced injection volume (30 µL), high analytical frequency (≈200 h−1) and low detection limits (nanomolar level). Moreover, the BIA‐SPE cell presented better stability (RSD≈0.4 %) than a conventional flow injection cell for SPE (RSD≈5.0 %) in organic media. The proposed homemade BIA‐SPE cell is very simple, inexpensive and can be easily constructed in any laboratory.
A Solid Film Electrode of Intermetallic Ag2Hg3.02 for the Direct Determination of Folic Acid in Fresh and Processed Fruit Juices
Authors: Garcia de Paula Cleide , Alves de Toledo Renata , Vaz Carlos Manoel Pedro , Marques Cordeiro Paulo Jorge , Batistuti José Paschoal , Aparecida Pastre Ieda , Shim Hojae , Fertonani Fernando Luís 
Published: December 2014

AbstractAgSIE was used for the direct analysis of folic acid (FA), with a detection limit and lower level of quantitation of 6.8×10−10 mol L−1 and 2.3×10−8 mol L−1. The analysis in fresh and processed fruits was done without any sample pretreatment. In strawberry and acerola juices, FA concentration level values were below the method detection limit. FA was detectable in peach (77.7±0.4 µg L−1 and 64.4±0.5 µg L−1), Persian lime (45.4±0.7 µg L−1), pineapple Hawaii (66.2±0.4 µg L−1), pear pineapple (35.3±0.6 µg L−1), cashew (54.4±0.5 µg L−1), passion fruit (73.2±0.3 µg L−1), and apple (84.4±0.5 µg L−1).
High‐throughput DNA separation in nanofilter arrays
Authors: Choi Sungup , Kim Ju Min , Ahn Kyung Hyun , Lee Seung Jong 
Published: December 2014

Electrophoresis 2014, 35, 2068–2077. DOI: 10.1002/elps.elps201400168The non‐uniform field effect combined with geometric constraint plays a key role in nanofilter‐based DNA separation. DNA molecules in nanofilter arrays deterministically move along different electrophoretic streamlines according to their length, which is the origin of high‐throughput DNA separation.
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Expanding metal mixture toxicity models to natural stream and lake invertebrate communities
Authors: Balistrieri Laurie S. , Mebane Christopher A. , Schmidt Travis S. , Keller Wendel (Bill) 
Published: December 2014

Abstract

A modeling approach that was used to predict the toxicity of dissolved single and multiple metals to trout is extended to stream benthic macroinvertebrates, freshwater zooplankton, and Daphnia magna. The approach predicts the accumulation of toxicants (H, Al, Cd, Cu, Ni, Pb, and Zn) in organisms using 3 equilibrium accumulation models that define interactions between dissolved cations and biological receptors (biotic ligands). These models differ in the structure of the receptors and include a 2-site biotic ligand model, a bidentate biotic ligand or 2-pKa model, and a humic acid model. The predicted accumulation of toxicants is weighted using toxicant-specific coefficients and incorporated into a toxicity function called Tox, which is then related to observed mortality or invertebrate community richness using a logistic equation. All accumulation models provide reasonable fits to metal concentrations in tissue samples of stream invertebrates. Despite the good fits, distinct differences in the magnitude of toxicant accumulation and biotic ligand speciation exist among the models for a given solution composition. However, predicted biological responses are similar among the models because there are interdependencies among model parameters in the accumulation–Tox models. To illustrate potential applications of the approaches, the 3 accumulation–Tox models for natural stream invertebrates are used in Monte Carlo simulations to predict the probability of adverse impacts in catchments of differing geology in central Colorado (USA); to link geology, water chemistry, and biological response; and to demonstrate how this approach can be used to screen for potential risks associated with resource development. Environ Toxicol Chem 2015;34:761–776. © 2015 SETAC
Estimation of herbicide species sensitivity distribution using single-species algal toxicity data and information on the mode of action
Authors: Nagai Takashi , Taya Kiyoshi 
Published: December 2014

Abstract

Although species sensitivity distribution (SSD) is a key concept for quantitative ecological risk assessment, its application is limited owing to a lack of sufficient data for the analysis, especially on the toxicity of herbicides for primary producers. The authors developed a method of herbicide SSD estimation using single-species toxicity data and information on the herbicide mode of action. The authors' method was based on 2 assumptions: the slopes of the SSD of the same MOA herbicides are the same and the relative sensitivities of standard algae in the SSD of the same MOA herbicides are the same. The 2 parameters of log-normal SSD, mean sensitivity, and variation in sensitivity, for 92 herbicides were determined to establish the estimation model. Mean sensitivities were linearly correlated with logarithmic 50% effect concentrations (EC50) for standard algae. The average of variations in sensitivity significantly differed among MOA, and variations in sensitivity were constant independently of EC50 values for standard algae for the same MOA herbicides. These results were all consistent with the assumptions of the SSD estimation method. The outcome was validated by comparing the estimated SSDs using the proposed method with the generated SSDs using toxicity data which were independent of method development. These SSDs were consistent, and considering MOA information improved the accuracy of estimating SSD markedly. Environ Toxicol Chem 2015;34:677–684. © 2014 SETAC
Application of POCIS for exposure assessment of munitions constituents during constant and fluctuating exposure
Authors: Belden Jason B. , Lotufo Guilherme R. , Biedenbach James M. , Sieve Kristal K. , Rosen Gunther 
Published: December 2014

Abstract

The present study examined the potential use of polar organic chemical integrative samplers (POCIS) for exposure assessment of munitions constituents, including 2,4,6-trinitrotoluene (TNT) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and their breakdown products (aminodinitrotoluenes [ADNTs], diaminonitrotoluenes [DANTs], and hexahydro-1,3,5-trinitroso-1,3,5-triazine [TNX]). Loss of munitions constituents from the sorbent phase after uptake was observed for the “pesticide” POCIS configuration but not for the “pharmaceutical” configuration. Therefore, the latter was selected for further investigation. Under constant exposure conditions, TNT, ADNTs, DANT, RDX, and atrazine (a common environmental contaminant) accumulated at a linear rate for at least 14 d, with sampling rates between 34 mL/d and 215 mL/d. When POCIS were exposed to fluctuating concentrations, analyte accumulation values were similar to values found during constant exposure, indicating that the sampler was indeed integrative. In contrast, caffeine (a common polar contaminant) and TNX did not accumulate at a linear rate and had a reduction in accumulation of greater than 50% on the POCIS during fluctuating exposures, demonstrating that POCIS did not sample those chemicals in an integrative manner. Moreover, in a flow-through microcosm containing the explosive formulation Composition B, TNT and RDX were readily measured using POCIS, despite relatively high turnover rates and thus reduced water concentrations. Mean water concentrations estimated from POCIS were ± 37% of mean water concentrations measured by traditional grab sample collection. Thus, POCIS were found to have high utility for quantifying exposure to most munitions constituents evaluated (TNT, ADNTs, and RDX) and atrazine. Environ Toxicol Chem 2015;34:959–967. © 2014 SETAC
Metal Mixture Modeling Evaluation project: 3. Lessons learned and steps forward
Authors: Farley Kevin J. , Meyer Joseph S. 
Published: December 2014

Abstract

A comparison of 4 metal mixture toxicity models (that were based on the biotic ligand model [BLM] and the Windermere humic aqueous model using the toxicity function [WHAM-FTOX]) was presented in a previous paper. In the present study, a streamlined version of the 4 models was developed and applied to multiple data sets and test conditions to examine key assumptions and calibration strategies that are crucial in modeling metal mixture toxicity. Results show that 1) a single binding site on or in the organism was a useful and oftentimes sufficient framework for predicting metal toxicity; 2) a linear free energy relationship (LFER) for bidentate binding of metals and cations to the biotic ligand provided a good first estimate of binding coefficients; 3) although adjustments in metal binding coefficients or adjustments in chemical potency factors can both be used in model calibration for single-metal exposures, changing metal binding coefficients or chemical potency factors had different effects on model predictions for metal mixtures; and 4) selection of a mixture toxicity model (based on concentration addition or independent action) was important in predicting metal mixture toxicity. Moving forward, efforts should focus on reducing uncertainties in model calibration, including development of better methods to characterize metal binding to toxicologically active binding sites, conducting targeted exposure studies to advance the understanding of metal mixture toxicity, and further developing LFERs and other tools to help constrain the model calibration. Environ Toxicol Chem 2015;34:821–832. © 2014 SETAC
SDN‐based 5G mobile networks: architecture, functions, procedures and backward compatibility
Authors: Trivisonno R. , Guerzoni R. , Vaishnavi I. , Soldani D. 
Published: December 2014

ABSTRACTIn this paper, we describe an SDN‐based plastic architecture for 5G networks, designed to fulfill functional and performance requirements of new generation services and devices. The 5G logical architecture is presented in detail, and key procedures for dynamic control plane instantiation, device attachment, and service request and mobility management are specified. Key feature of the proposed architecture is flexibility, needed to support efficiently a heterogeneous set of services, including Machine Type Communication, Vehicle to X and Internet of Things traffic. These applications are imposing challenging targets, in terms of end‐to‐end latency, dependability, reliability and scalability. Additionally, backward compatibility with legacy systems is guaranteed by the proposed solution, and Control Plane and Data Plane are fully decoupled. The three levels of unified signaling unify Access, Non‐access and Management strata, and a clean‐slate forwarding layer, designed according to the software defined networking principle, replaces tunneling protocols for carrier grade mobility. Copyright © 2014 John Wiley & Sons, Ltd.
Karyoevelution on the genus Onosma L. (Boraginaceae): quantification of chromosome number heterogeneity
Authors: Almasi Maryam , Ranjbar Massoud 
Published: December 2014

AbstractIn this survey, chromosome counts of different species belonging to the genus Onosma are summarized and then karyological patterns available including frequency of cytotype occurrence, percentage of taxa with particular basic chromosome number and rate of polyploidy in the genus are evaluated. Quantitative parameters have been used to characterize chromosome number (CN) variation. In order to verify if variation patterns differ between three groups of Onosma, Index of CN Heterogeneity (ICNH) was quantified. In addition, meiotic chromosome numbers of 14 populations belonging to 11 species growing in Iran, namely Onosma araratica (2n = 2x = 16), O. asperrima (2n = 2x = 16), O. bulbotricha (2n = 2x = 18), O. kotschyi (2n = 2x = 16), O. microcarpa (2n = 2x = 16), O. nigricaulis (2n = 2x = 16), O. nervosa (2n = 2x = 16), O. obtusifolia (2n = 2x = 16), O. pachypoda (2n = 2x = 16), O. stenosiphon (2n = 2x = 20) and O. subsericea (2n = 2x = 16), were determined. With the exception of O. microcarpa and O. bulbotricha, all chromosome counts are reported for the first time. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A high‐order discontinuous Galerkin method for all‐speed flows
Authors: Renda S. M. , Hartmann R. , De Bartolo C. , Wallraff M. 
Published: December 2014

SUMMARYIn this article, we present a discontinuous Galerkin (DG) method designed to improve the accuracy and efficiency of steady solutions of the compressible fully coupled Reynolds‐averaged Navier–Stokes and k − ω turbulence model equations for solving all‐speed flows. The system of equations is iterated to steady state by means of an implicit scheme. The DG solution is extended to the incompressible limit by implementing a low Mach number preconditioning technique. A full preconditioning approach is adopted, which modifies both the unsteady terms of the governing equations and the dissipative term of the numerical flux function by means of a new preconditioner, on the basis of a modified version of Turkel's preconditioning matrix. At sonic speed the preconditioner reduces to the identity matrix thus recovering the non‐preconditioned DG discretization. An artificial viscosity term is added to the DG discretized equations to stabilize the solution in the presence of shocks when piecewise approximations of order of accuracy higher than 1 are used. Moreover, several rescaling techniques are implemented in order to overcome ill‐conditioning problems that, in addition to the low Mach number stiffness, can limit the performance of the flow solver. These approaches, through a proper manipulation of the governing equations, reduce unbalances between residuals as a result of the dependence on the size of elements in the computational mesh and because of the inherent differences between turbulent and mean‐flow variables, influencing both the evolution of the Courant Friedrichs Lewy (CFL) number and the inexact solution of the linear systems. The performance of the method is demonstrated by solving three turbulent aerodynamic test cases: the flat plate, the L1T2 high‐lift configuration and the RAE2822 airfoil (Case 9). The computations are performed at different Mach numbers using various degrees of polynomial approximations to analyze the influence of the proposed numerical strategies on the accuracy, efficiency and robustness of a high‐order DG solver at different flow regimes. Copyright © 2014 John Wiley & Sons, Ltd.
Influences of a DRD2 polymorphism on updating of long‐term memory representations and caudate BOLD activity: Magnification in aging
Authors: Persson Jonas , Rieckmann Anna , Kalpouzos Grégoria , Fischer Håkan , Bäckman Lars 
Published: December 2014

AbstractA number of genetic polymorphisms are related to individual differences in cognitive performance. Striatal dopamine (DA) functions, associated with cognitive performance, are linked to the TaqIA polymorphism of the DRD2/ANKK1 gene. In humans, presence of an A1 allele of the DRD2/ANKK1‐TaqIA polymorphism is related to reduced density of striatal DA D2 receptors. The resource‐modulation hypothesis assumes that aging‐related losses of neurochemical and structural brain resources modulate the extent to which genetic variations affect cognitive functioning. Here, we tested this hypothesis using functional MRI during long‐term memory (LTM) updating in younger and older carriers and noncarriers of the A1‐allele of the TaqIa polymorphism. We demonstrate that older A1‐carriers have worse memory performance, specifically during LTM updating, compared to noncarriers. Moreover, A1‐carriers exhibited less blood oxygen level‐dependent (BOLD) activation in left caudate nucleus, a region critical to updating. This effect was only seen in older adults, suggesting magnification of genetic effects on functional brain activity in aging. Further, a positive relationship between caudate BOLD activation and updating performance among non‐A1 carriers indicated that caudate activation was behaviorally relevant. These results demonstrate a link between the DRD2/ANKK1‐TaqIA polymorphism and neurocognitive deficits related to LTM updating, and provide novel evidence that this effect is magnified in aging. Hum Brain Mapp 36:1325–1334, 2015. © 2014 Wiley Periodicals, Inc.