bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ca2Pd2Cd with W2B2Co-type Structure
Authors: Johnscher Michael , Pöttgen Rainer 
Published: January 2013

Abstract
Ca2Pd2Cd was synthesized by high-frequency melting of the elements in a sealed niobium ampoule. Its structure was refined from single-crystal X-ray diffractometer data: W2B2Co type, Immm, a=444.58(6), b=590.25(6), c=863.07(10) pm, wR2=0.0252, 305 structure factors, 13 variables. The palladium and cadmium atoms build up twodimensional [Pd2Cd] networks which consist of Pd4Cd2 hexagons and Pd2Cd2 rectangles with 272.7 pm Pd-Pd and 273.2 pm Pd-Cd. The calcium atoms are coordinated by one Pd4Cd2 and one Pd2Cd2 unit. The structure of Ca2Pd2Cd is compared to that of Ce2Pd2Cd with its tetragonal Mo2B2Fe type.
Developmental outcome in Pierre Robin sequence: A longitudinal and prospective study of a consecutive series of severe phenotypes
Authors: Thouvenin Béatrice , Djadi‐Prat Juliette , Chalouhi Christel , Pierrot Sébastien , Lyonnet Stanislas , Couly Gérard , Abadie Véronique 
Published: January 2013

AbstractPierre Robin sequence (PRS) is a congenital condition with a heterogeneous and imprecise developmental prognosis. We conducted a longitudinal prospective study analyzing the long‐term developmental outcome of a consecutive series of 39 children with PRS who had an a priori good prognosis (isolated PRS or PRS associated with a Stickler syndrome) but severe neonatal disorders (respiratory and feeding difficulties). Psychomotor and cognitive levels, speech, and eating behavior were assessed at 15 months of age and 3 and 6 years of age; 24 of the oldest children were interviewed at age 11 or 12 years. Results were analyzed by diagnosis, extent of respiratory and feeding disorders, and treatment modalities. Cognitive scores were within normal ranges and increased over time, from 90.5 at 15 months of age to 109.1 at 6 years. The 24 oldest children were enrolled in the appropriate junior high school grade at the normal age. For children 15 months of age, language scores were below the average, as were scores for vocabulary at 3 years for half of the patients. At 6 years, children's speech showed persistent rhinolalia, which was mild (47%), moderate (11%), or major (11%). At 15 months of age, 74% of the children had satisfactory eating behavior, and 15% had serious difficulties. At 3 and 6 years, 18% and 6% of the children, respectively, had eating problems. Treatment modalities had no significant effect on long‐term outcome. Global developmental quotient scores were lower but not significantly for children with an associated Stickler syndrome than those with isolated PRS. Children with isolated PRS showed good prognosis. © 2013 Wiley Periodicals, Inc.
Palladium‐Catalyzed Decarboxylative Suzuki and Heck Couplings of Azaindole‐2‐carboxylic Acids: Synthesis of 2‐Aryl/Alkenyl‐1‐phenylsulfonyl‐1 H‐pyrrolo‐[2,3 b]pyridines
Authors: Suresh Rajendran , Muthusubramanian Shanmugam , Kumaran Rajendran Senthil , Manickam Govindaswamy 
Published: January 2013

AbstractA series of 2‐aryl‐1‐(phenylsulfonyl)‐1H‐pyrrolo[2,3‐b]pyridines 3 were obtained by a palladium‐catalyzed decarboxylative Suzuki coupling of azaindole‐2‐carboxylic acid derivative 1. The synthesis of alkenyl‐1‐(phenylsulfonyl)‐1H‐pyrrolo[2,3‐b]pyridines 9 by a related Heck coupling is also described. Protodecarboxylation operates in the case of azaindole‐3‐carboxylic acids under the reaction conditions.
Nucleation of Organic Crystals—A Molecular Perspective
Authors: Davey Roger J. , Schroeder Sven L. M. , ter Horst Joop H. 
Published: January 2013

AbstractThe outcome of synthetic procedures for crystalline organic materials strongly depends on the first steps along the molecular self‐assembly pathway, a process we know as crystal nucleation. New experimental techniques and computational methodologies have spurred significant interest in understanding the detailed molecular mechanisms by which nuclei form and develop into macroscopic crystals. Although classical nucleation theory (CNT) has served well in describing the kinetics of the processes involved, new proposed nucleation mechanisms are additionally concerned with the evolution of structure and the competing nature of crystallization in polymorphic systems. In this Review, we explore the extent to which CNT and nucleation rate measurements can yield molecular‐scale information on this process and summarize current knowledge relating to molecular self‐assembly in nucleating systems.
Effects of 17/0 circle hooks and bait on sea turtles bycatch in a Southern Atlantic swordfish longline fishery
Authors: Santos Miguel N. , Coelho Rui , Fernandez‐Carvalho Joana , Amorim Sérgio 
Published: January 2013

ABSTRACT

The incidental catch of marine turtles is a major problem in commercial pelagic longline fisheries. The present paper reports marine turtle bycatch composition and rates from a Portuguese commercial longline fishery targeting swordfish in the South Atlantic, and investigates the effects of changes in hook style and bait type.
In total, 310 longline sets were carried out between 2008 and 2012. Three different hook styles were tested, traditional J hook (9/0) and two 17/0 circle hooks (a non‐offset and a 10º offset), but only one bait type was used in each set (Scomber spp. or Illex spp.).
Two species of sea turtles were caught, the leatherback Dermochelys coriacea, and the loggerhead Caretta caretta, the latter comprising the majority of the catches. The highest mean bycatch per unit of effort values for both species combined (1.693/1000 hooks) and for the individual species (1.505/1000 hooks for loggerheads) occurred with J‐style hooks baited with squid. Changing from J‐style to one of the circle hooks was only significant when using squid bait (with the odds‐ratios decreasing between 54% and 63%).
Hooking location was species‐specific, with most loggerheads hooked by the mouth, while leatherbacks were mostly hooked externally by the flippers. Overall, 65% of all sea turtles were released alive (85% for leatherbacks compared with 63% for loggerheads).
Significant reduction of sea turtle accidental catches on the swordfish longline fisheries can be achieved by changing the J hooks to circle hooks, especially if baited with mackerel. However, such gain is species‐specific and area dependent. Copyright © 2013 John Wiley & Sons, Ltd.
A validated LC‐MS/MS method for rapid determination of brazilin in rat plasma and its application to a pharmacokinetic study
Authors: Deng Zhipeng , Wang Xin , Zhao Huanxin , Cui Shuxiang , Yao Qingqiang , Bai Hong 
Published: January 2013

ABSTRACTBrazilin is a major homoisoflavonoid component isolated from the dried heartwood of traditional Chinese medicine Caesalpinia sappan L., which is a natural red pigment used for histological staining. Herein a sensitive, specific and rapid analytical LC‐MS/MS method was established and validated for brazilin in rat plasma. After a simple step of protein precipitation using acetonitrile, plasma samples were analyzed using an LC‐MS/MS system. Brazilin and the IS (protosappanin B) were separated on a Diamonsil C18 analytical column (150 × 4.6 mm, 5 µm) using a mixture of water and 10 mm ammonium acetate in methanol (20:80, v/v) as mobile phase at a flow rate of 0.6 mL/min. The method was sensitive with a lower limit of quantitation of 10.0 ng/mL, with good linearity (r2 ≥ 0.99) over the linear range 10.0–5000 ng/mL. All the validation data, such as accuracy and precision, matrix effect, extraction recovery and stability tests were within the required limits. The assay method was successfully applied to evaluate the pharmacokinetics parameters of brazilin after an oral dose of 100 mg/kg brazilin in rats. Copyright © 2013 John Wiley & Sons, Ltd.
Capture of Uropathogenic E. coli by Using Synthetic Glycan Ligands Specific for the Pap‐Pilus
Authors: Yosief Hailemichael O. , Weiss Alison A. , Iyer Suri S. 
Published: January 2013

AbstractBiotinylated mono‐ and biantennary di‐/trisaccharides were synthesized to evaluate their ability to capture E. coli strains that express pilus types with different receptor specificities. The synthesized biotinylated di‐/trisaccharides contain Galα(1→4)Gal, Galα(1→4)GalNHAc, GalNHAcα(1→4)Gal, Galα(1→4)Galβ(1→4)Glc and GalNHAcα(1→4)Galβ(1→4)Glc as carbohydrate epitopes. These biotinylated oligosaccharides were immobilized on streptavidin‐coated magnetic beads, and incubated with different strains of live E. coli. Capturing ability was assessed by using a luciferase assay that detects bacterial ATP. The trisaccharides containing Galα(1→4)Galβ(1→4)Glc and the disaccharides containing Galα(1→4)Gal as the epitopes exhibited strong capturing ability for uropathogenic E. coli strains with the pap pilus genotype, including CFT073, J96 and J96 pilE. The same ligands failed to capture E. coli strains with fim, prs, or foc genotypes. Uropathogenic CFT073 was also captured moderately by biantennary disaccharides containing a GalNHAc moiety at the reducing end; however, other saccharides containing GalNHAc at the nonreducing end did not capture the CFT073 strain. These synthetic glycoconjugates could potentially be adapted as rapid diagnostic agents to differentiate between different E. coli pathovars.
Cyclohydroamination of Aminoalkenes Catalyzed by Disilazide Alkaline‐Earth Metal Complexes: Reactivity Patterns and Deactivation Pathways
Authors: Liu Bo , Roisnel Thierry , Carpentier Jean‐François , Sarazin Yann 
Published: January 2013

AbstractThe behavior of the first aminophenolate catalysts of the large alkaline earth metals (Ae) [(LOi)AeN(SiMe2R)2(thf)x] (i=1–4; Ae=Ca, Sr, Ba; R=H, Me; x=0–2) for the cyclohydroamination of terminal aminoalkenes is discussed. The complexes [(BDI)AeN(SiMe2H)2(thf)x] (Ae=Ca, Sr, Ba, x=1–2; (BDI)H=H2C[C(Me)N‐2,6‐(iPr)2C6H3]2)) and [(BDI)CaN(SiMe3)2(thf)] supported by the β‐diketiminate (BDI)− ligand have also been employed for comparative and mechanistic considerations. The catalytic performances decrease in the order Ca>Sr≫Ba, which is the opposite trend to that previously observed during the intermolecular hydroamination of activated alkenes catalyzed by the same alkaline‐earth metal complexes. Catalyst efficacy increases when the chelating and donating ability of the aminophenolate ligands decreases. For given metals and ancillary scaffolds, disilazide catalysts that incorporate the N(SiMe3)2− amido group outclass their congeners containing the N(SiMe2H)2− amide owing to the lower basicity of the N(SiMe2H)2− with respect to the N(SiMe3)2− group, and also because Ae–N(SiMe2H)2 catalysts suffer from irreversible deactivation through the dehydrogenative coupling of amine and hydrosilane moieties. This deactivation process takes place at 25 °C in the case of [(LOi)AeN(SiMe2H)2(thf)x] phenolate complexes and occurs even with the related [(BDI)AeN(SiMe2H)2(thf)x] complex, albeit under conditions harsher than those required for effective cyclohydroamination catalysis. A mechanistic scenario for cyclohydroamination catalyzed by [(LX)AeN(SiMe2H)2(thf)x] complexes ((LX)−=(LOi)− or (BDI)−) is proposed. Although beneficial for the synthesis of Ae heteroleptic complexes able to resist deleterious Schlenk‐type equilibria, the use of the N(SiMe2H)2− is prejudicial to catalytic activity in the case of catalyzed transformations that involve reactive amine (and potentially other) substrates. Mechanistic and kinetic investigations further illustrate the interplay between the catalytic activity, operative mechanism, and identity of the metal, ancillary ligand, and amido group. These studies suggest that the widely accepted mechanism for cyclohydroamination reactions cannot be extended systematically to all alkaline‐earth catalysts. The [(BDI)CaN(SiMe2H)2{H2NCH2C(CH3)2CH2CHCH2}2] complex, the first Ca–aminoalkene adduct structurally characterized, was prepared quantitatively and essentially behaves like [(BDI)CaN(SiMe2H)(thf)], thus serving as a model compound for mechanistic studies, as illustrated during stoichiometric reactions monitored by 1H NMR spectroscopy.
Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B–NS3 Protease
Authors: Hammamy M. Zouhir , Haase Caroline , Hammami Maya , Hilgenfeld Rolf , Steinmetzer Torsten 
Published: January 2013

AbstractA series of new substrate analogue inhibitors of the WNV NS2B–NS3 protease containing decarboxylated arginine mimetics at the P1 position was developed. Among the various analogues, trans‐(4‐guanidino)cyclohexylmethylamide (GCMA) was identified as the most suitable P1 residue. In combination with dichloro‐substituted phenylacetyl groups at the P4 position, three inhibitors with inhibition constants of <0.2 μM were obtained. These GCMA inhibitors have a better selectivity profile than the previously described agmatine analogues, and possess negligible affinity for the trypsin‐like serine proteases thrombin, factor Xa, and matriptase. A crystal structure in complex with the WNV protease was determined for one of the most potent inhibitors, 3,4‐dichlorophenylacetyl‐Lys‐Lys‐GCMA (Ki=0.13 μM). The inhibitor adopts a horseshoe‐like conformation, most likely due to a hydrophobic contact between the P4 phenyl ring and the P1 cyclohexyl group, which is further stabilized by an intramolecular hydrogen bond between the P1 guanidino group and the P4 carbonyl oxygen atom. These inhibitors are stable, readily accessible, and have a noncovalent binding mode. Therefore, they may serve as suitable lead structures for further development.
Synthesis of Water‐Soluble, Multicolored Fluorescent ZnxCd1−xSe Quantum Dots for Developing Latent Fingerprints
Authors: Yu Xuejiao , Zuo Shengli , Xiong Hai , Yu Yingchun , Liu Jianjun , Yang Ruiqin 
Published: January 2013

AbstractWater‐soluble ZnxCd1−xSe quantum dots (QDs) with different amounts of Cd dopant are synthesized with 3‐mercaptopropionic acid as a modifier under ambient conditions. Hydrazine hydrate is used as the surface stabilizer and pH adjuster during preparation. The effect of dopant amount, initial pH values, and heating time on the fluorescence properties are systematically studied. Based on the emission wavelength shift of ZnxCd1−xSe QDs from 430 to 578 nm, the colors of these QDs are adjustable from blue to orange. This adjustment is beneficial for developing sweat fingerprints on scotch tape. Fresh blood fingerprints on foil, ceramic tile, black plastic, scotch tape, and old bloody fingerprints on black ceramic tile are developed by the QDs. The results show that Zn0.77Cd0.23Se QDs (calculated composition; measured composition: Zn0.83Cd0.17Se) are the most effective material for developing blood fingerprints and is even superior to the traditional tetramethylbenzidine reagent.
Scheduling model and performance analysis in transport mapping layer of control element in forwarding and control element separation system
Authors: Li Chuanhuang , Zhang Sanyuan , Wang Weiming 
Published: January 2013

SUMMARYThe transport mapping layer (TML) scheduling model in forwarding and control element separation (ForCES) system is important because it not only should be able to process the messages with different priorities but also can solve the fairness and robustness problems in network element level. In this paper, a two‐stage scheduling scheme with strict priority and general processor share scheduling is proposed. In a stochastic network calculus framework and on the basis of moment‐generating functions, bounds on average backlogs and delays of all channels are derived. The performance solving approach presented in this paper is quite general and practical, and the results may be used in other fields easily, without limiting ForCES CE TML. Numerical examples are presented to test the bounds, which show the scheduling scheme is practical and well suited for CE TML requirements. Copyright © 2013 John Wiley & Sons, Ltd.
Controlled Growth and Up‐Conversion Improvement of Sodium Yttrium Fluoride Crystals
Authors: Fu Junxiang , Fu Xionghui , Wang Chaomin , Yang Xianfeng , Zhuang Jianle , Zhang Gongguo , Lai Boyuan , Wu Mingmei , Wang Jing 
Published: January 2013

AbstractA variety of hexagonal sodium yttrium fluoride (NYF) crystals with tunable shapes have been grown, and their up‐conversion (UC) emission has been greatly improved after post‐treatment in an aqueous solution of NH4HF2 and NaF. The enhancement has been attributed to topotactic ion insertion of sodium cations into the channels of Na3xY2–xF6. As sodium‐ion insertion continues to occur and the sodium content rises, the up‐conversion emission intensity and green‐to‐red ratio increase up to the saturation level. However, the X‐ray diffraction patterns and SEM images suggest that both the crystallographic structure and geometric morphology remain unchanged during this topotactic sodium ion insertion. This strategy is very different to previous reports on the use of ion exchange in the preparation of sodium yttrium fluoride crystals and improvement of UC emission. The results of this work demonstrate that sodium vacancy in the hexagonal Na3xY2–xF6 crystal is the key to the clear reduction in the up‐conversion photoluminescence properties of the crystals, but the topotactic sodium ion insertion can revive the up‐conversion efficiency greatly.
Synthesis of Site‐Specific Damaged DNA Strands by 8‐(Acetylarylamino)‐2′‐deoxyguanosine Adducts and Effects on Various DNA Polymerases
Authors: Krüger Sarah , Meier Chris 
Published: January 2013

AbstractBeside the predominately found 8‐(arylamino)‐2′‐dG, 8‐(acetylarylamino) damages within DNA‐strands may also play an important role in the induction of chemical carcinogenesis. A synthesis pathway leading to these 8‐(acetylarylamino)‐dG adducts using different aromatic amines has been optimized. The 8‐modified dGs were converted into the corresponding phosphoramidites and site‐specifically incorporated into different oligonucleotides leading to DNA strands. Lesion‐bearing hybrids of these damaged DNA‐strands with complementary oligonucleotides were used to study their melting properties and their circular dichroism spectra. It was shown that no EcoRI restriction took place with the damage inside the cleavage site. Finally, three different DNA polymerases were used for primer extension studies.
Results uncertainty of support vector machine and hybrid of wavelet transform‐support vector machine models for solid waste generation forecasting
Authors: Abbasi M. , Abduli M.A. , Omidvar B. , Baghvand A. 
Published: January 2013

The prediction of municipal solid waste generation (MSWG) plays an important role in a solid waste management system. However, achieving the anticipated prediction accuracy with regard to the nonhomogeneous nature of waste and effect of various and out of control factors on MSWG is quite challenging. In this article, support vector machine (SVM), one of the artificial intelligence techniques, and hybrid of wavelet transform (WT) and support vector machine (WT‐SVM) are used to predict weekly time series of MSWG in Tehran and Mashhad cites during the period of January 2006–December 2011. To improve the performance of SVM model, considering the influence of noise and the disadvantages of traditional noise eliminating technologies, the wavelet denoising method is applied to reduce or eliminate the noise in MSWG time series.Since Data‐driven models such as SVM involve potential of uncertainty that is difficult to quantify, uncertainty determination is one of important gaps observed in SVM results analysis. Therefore, Monte Carlo method was used to analyze uncertainty of the model results.Results showed both models could precisely predict MSWG in Tehran and Mashhad cites. However, the preprocessing of input variables by WT led to develop a more accurate model for prediction of weekly MSWG in both cities. The uncertainty analysis also verified that the WT‐SVM model had more robustness than SVM and had a lower sensitivity to change of input variables. © 2013 American Institute of Chemical Engineers Environ Prog, 33: 220–228, 2014
Decision analytic strategies for integrating ecosystem services and risk assessment
Authors: von Stackelberg Katherine E 
Published: January 2013

Abstract
Ecosystem services as a concept and guiding principle are enjoying wide popularity and endorsement from high-level policy thinkers to industry as support for sustainability goals continue to grow. However, explicit incorporation of ecosystem services into decision making still lacks practical implementation at more local scales and faces significant regulatory and technical constraints. Risk assessment represents an example of a regulatory process for which guidance exists that makes it challenging to incorporate ecosystem service endpoints. Technical constraints exist in the quantification of the relationships between ecological functions and services and endpoints valued by humans, and the complexity of those interactions with respect to bundling and stacking. In addition, ecosystem services, by their very definition, represent an anthropogenic construct with no inherent ecological value, which, in practical terms, requires a far more inclusionary decision making process explicitly incorporating a greater diversity of stakeholder values. Despite these constraints, it is possible, given a commitment to sustainable decision making, to simplify the process based on strategic outcomes (e.g., identifying desired end-states in general terms). Decision analytic techniques provide a mechanism for evaluating tradeoffs across key ecosystem services valued by stakeholders and to develop criteria drawn from the entire spectrum of stakeholders in evaluating potential alternatives. This article highlights several examples of ways in which ecosystem service endpoints can be incorporated into the decision-making process. Integr Environ Assess Manag 2013; 9: 260–268. © 2013 SETAC
Embossed‐carving processing of cytoskeletons of cultured cells by using focused ion beam technology
Authors: Terada Dohiko , Hattori Shinya , Honda Takako , Iitake Masanori , Kobayashi Hisatoshi 
Published: January 2013

ABSTRACTThe focused ion beam (FIB) technology has drawn considerable attention in diverse research fields. FIB can be used to mill samples at the nanometer scale by using an ion beam derived from electrically charged liquid gallium (Ga). This powerful technology with accuracy at the nanometer scale is now being applied to life science research. In this study, we show the potential of FIB as a new tool to investigate the internal structures of cells. We sputtered Ga+ onto the surface or the cross section of animal cells to emboss the internal structures of the cell. Ga+ sputtering can erode the cell surface or the cross section and thus emboss the cytoskeletons quasi‐3 dimensionally. We also identified the embossed structures by comparing them with fluorescent images obtained via confocal laser microscopy because the secondary ion micrographs did not directly provide qualitative information directly. Furthermore, we considered artifacts during the FIB cross sectioning of cells and propose a way to prevent undesirable artifacts. We demonstrate the usefulness of FIB to observe the internal structures of cells. Microsc. Res. Tech. 76:290–295, 2013. © 2013 Wiley Periodicals, Inc.