bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deep eutectic solvent based magnetic nanofluid in the development of stir bar sorptive dispersive microextraction: An efficient hyphenated sample preparation for ultra‐trace nitroaromatic explosives extraction in wastewater
Authors: Zarei Ali Reza , Nedaei Maryam , Ghorbanian Sohrab Ali 
Published: October 2017

AbstractA deep eutectic solvent based magnetic nanofluid was coupled with stir bar sorptive dispersive microextraction as a hyphenated sample preparation technique. The neodymium core magnetic stir bar was coated physically with nanofluid of magnetic carbon nanotube nanocomposites and deep eutectic solvents. The prepared nanofluid has magnetic and strong sorbing properties and is compatible with gas chromatography. In this nanofluid, the deep eutectic solvent acts simultaneously as both carrier and stabilizer for magnetic nanotubes. The predominant experimental variables affecting the extraction efficiency of nitroaromatic compounds were evaluated. Under the optimized conditions, the limit of detection and enrichment factor were in the range of 0.2–4.9 ng/L and 852–1480, respectively. The relative standard deviations were between 5.6 and 10.2% (n = 6). Method validation was performed by both spiking–recovery method and comparison of results with other methods. Finally, the proposed method was successfully applied for the extraction and pre‐concentration of nitroaromatic explosives in water samples, followed by determination by gas chromatography with micro‐electron capture detection.
Adding a new separation dimension to MS and LC–MS: What is the utility of ion mobility spectrometry?
Authors: D'Atri Valentina , Causon Tim , Hernandez‐Alba Oscar , Mutabazi Aline , Veuthey Jean‐Luc , Cianferani Sarah , Guillarme Davy 
Published: October 2017

AbstractIon mobility spectrometry is an analytical technique known for more than 100 years, which entails separating ions in the gas phase based on their size, shape, and charge. While ion mobility spectrometry alone can be useful for some applications (mostly security analysis for detecting certain classes of narcotics and explosives), it becomes even more powerful in combination with mass spectrometry and high‐performance liquid chromatography. Indeed, the limited resolving power of ion mobility spectrometry alone can be tackled when combining this analytical strategy with mass spectrometry or liquid chromatography with mass spectrometry. Over the last few years, the hyphenation of ion mobility spectrometry to mass spectrometry or liquid chromatography with mass spectrometry has attracted more and more interest, with significant progresses in both technical advances and pioneering applications. This review describes the theoretical background, available technologies, and future capabilities of these techniques. It also highlights a wide range of applications, from small molecules (natural products, metabolites, glycans, lipids) to large biomolecules (proteins, protein complexes, biopharmaceuticals, oligonucleotides).
Land use change uncertainty impacts on streamflow and sediment projections in areas undergoing rapid development: A case study in the Mekong Basin
Authors: Shrestha Bikesh , Cochrane Thomas A. , Caruso Brian S. , Arias Mauricio E. 
Published: October 2017

AbstractQuantitative understanding of potential changes in streamflow and sediment load is complicated by uncertainty related to land use change projections, which is characterized by a high uncertainty in terms of demand (quantity) and location of changes (spatial distribution). We simulate the Sesan, Srepok, and Sekong Rivers (3S), the most important tributaries of the lower Mekong River, with the Soil and Water Assessment Tool (SWAT) to investigate the implications of conversion of forest to agricultural lands. Multiple land use transitions in the 3S basin are projected using the Land Change Modeler. The uncertainty in land use projection was addressed using an ensemble forecasting approach for 2060, combining (a) three land demand scenarios, (b) two transition potential modeling approaches (i.e., approach to create maps of the likelihood for areas to transition from one land use type to another), and (c) retaining or not protected areas. Land demand leads to the greatest uncertainty in land use change projections. Transition potential modeling approaches do not make much difference in the total change, but can result in spatial variations of change. Retaining protected areas can contribute significantly to uncertainty in land use change projections. Decrease in annual streamflow of the 3S basin varied from 3% to 21%, and changes in annual sediment outflux from the basin ranged from −8% to 249% for simulated scenarios. Land use demand uncertainty results in the highest streamflow and sediment load changes and can thus have major consequences for water and sediment management strategies in areas undergoing rapid development.
Insights into the ecology of the Black Sea through the qualitative loop analysis of the community structure
Authors: Bodini Antonio , Rocchi Marta , Scotti Marco 
Published: October 2017

AbstractOverfishing, excess nutrient load, and invasion of Mnemiopsis leidyi acted on the Black Sea from 1960s to 1990s. Under the effect of these drivers, the ecosystem underwent several transformations that culminated in the shift from a planktonic food chain to a network with most of the energy diverted to jellyfish. The interplay between multiple stressors and the intricate web of trophic interactions make it difficult to understand which causative mechanisms linked the sources of change to the observed variations. To study such interplay, we focused on the structure of the trophic interactions and applied loop analysis to qualitatively predict the response of variables to stressors. Significant variations in biomass trends were identified with statistical analysis and considered as benchmark to validate loop analysis predictions. The results of the comparisons were used to select the most influential trophic interactions that explain the changes observed between 1960 and 1990. The models were applied to test (1) the importance of various environmental drivers and (2) the mechanisms that produced the observed changes. The results suggested that the changes observed before M. leidyi invasion were strongly influenced by the excess nutrient addition, an outcome that challenges the relevance of the trophic cascade as described in literature. The concurrent effect of overfishing, climate, and nutrient enrichment likely triggered the outburst of M. leidyi in the late 1980s. Our work shows the potential of loop analysis to grasp the causal relationships between the drivers, the structure of the interactions, and the responses of the variables.
Hydrodynamic mediation of killifish predation on infaunal polychaetes
Authors: Hentschel Brian T. , Hayman Nicholas T. , Anderson Todd W. 
Published: October 2017

AbstractTo explore predator‐prey interactions between California killifish (Fundulus parvipinnis) and spionid polychaetes (Polydora cornuta and Streblospio benedicti) in saltmarsh creeks, we conducted a laboratory flume experiment to quantify whether killifish prey‐patch selectivity varies with water flow. The flume included a 300‐cm2 area of defaunated sediment within which we centrally positioned 24 P. cornuta, 24 S. benedicti, or no worms as a control. We videotaped groups of three killifish for 50 min at one of six unidirectional flow speeds (3 cm s−1, 6 cm s−1, 9 cm s−1, 12 cm s−1, 15 cm s−1, or 18 cm s−1) and recorded their bite rate anywhere in the sediment vs. bites directed at the central patch containing worms (98 cm2). The number of bites anywhere in the 300‐cm2 sediment area increased as flow increased from 3 cm s−1 to 6 cm s−1 and declined linearly as flow increased further. The number of bites anywhere was lower in treatments with no worms than when either worm species was present. The percentage of bites directed at the central patch varied significantly with flow speed and worm presence. With defaunated sediment only, ∼ 33% of bites were directed at the central patch at all flows, consistent with a null model of nonselective foraging. When either worm species inhabited the central patch, ∼ 65% of bites were directed at the central patch at 3 cm s−1 and 6 cm s−1, with patch selection declining as flow increased. Despite differences in morphology and behavior, the two prey species elicited similar foraging activity by killifish. These results suggest the importance of hydrodynamics in driving these epibenthic predator‐prey interactions.
Synthesis of Hyperbranched Polypyridine via a Cross Coupling Approach as an n‐Type π‐Conjugated Polymer
Authors: Koga Takashi , Nabae Yuta , Funakawa Akiyasu , Hayakawa Teruaki , Kakimoto Masa‐aki 
Published: October 2017

AbstractThe synthesis of an n‐type π‐conjugated hyperbranched polymer, hyperbranched polypyridine, is described. The polymer is obtained by copolymerization of 2,4,6‐tribromopyridine and 2,5‐dibromopyridine via chain‐growth condensation polymerization catalyzed by Ni(dppp)Cl2. The NMR and fourier transform infrared results indicate the successful introduction of the branching unit into polypyridine by this cross coupling approach. The results of UV–vis spectroscopy and cyclic voltammetry suggest that the introduction of the branching unit contributes to a quick response during electrochemical doping due to the diffusion of dopant enhanced by the hyperbranched structure.
Surface Modification of Carbon Fibers by Free Radical Graft‐Polymerization of 2‐Hydroxyethyl Methacrylate for High Mechanical Strength Fiber–Matrix Composites
Authors: Giebel Elisabeth , Herrmann Thomas , Simon Frank , Fery Andreas , Buchmeiser Michael R. 
Published: October 2017

AbstractFree radical polymerization of vinylic monomers in the presence of carbon fibers results in the grafting of polymers onto the carbon fiber surface. Graft polymers cannot be removed by intense washing with good polymer solvents. The density and size of these structures are successfully controlled by reaction conditions. Grafting of the carbon fiber surface with hydroxyethyl methacrylate allows for introducing functional groups suitable for the reaction with an epoxy‐based resin. The resulting fiber‐reinforced composites show enhanced mechanical properties compared to samples prepared from carbon fibers equipped with a standard sizing for epoxy resins. Thus, tensile strength increases by 10%, while interlaminar shear strength improves by 20%.
Excretion of Avenanthramides, Phenolic Acids and their Major Metabolites Following Intake of Oat Bran
Authors: Schär Manuel Y. , Corona Giulia , Soycan Gulten , Dine Clemence , Kristek Angelika , Alsharif Sarah N. S. , Behrends Volker , Lovegrove Alison , Shewry Peter R. , Spencer Jeremy P. E. 
Published: October 2017

ScopeWholegrain has been associated with reduced chronic disease mortality, with oat intake particularly notable for lowering blood cholesterol and glycemia. To better understand the complex nutrient profile of oats, we studied urinary excretion of phenolic acids and avenanthramides after ingestion of oat bran in humans.Methods and resultsAfter a 2‐d (poly)phenol‐low diet, seven healthy men provided urine 12 h before and 48 h after consuming 60 g oat bran (7.8 μmol avenanthramides, 139.2 μmol phenolic acids) or a phenolic‐low (traces of phenolics) control in a crossover design. Analysis by ultra‐high performance liquid chromatography (UPLC)–MS/MS showed that oat bran intake resulted in an elevation in urinary excretion of 30 phenolics relative to the control, suggesting that they are oat bran‐derived. Mean excretion levels were elevated between 0–2 and 4–8 h, following oat bran intake, and amounted to a total of 33.7 ± 7.3 μmol total excretion (mean recovery: 22.9 ± 5.0%), relative to control. The predominant metabolites included: vanillic acid, 4‐ and 3‐hydroxyhippuric acids, and sulfate‐conjugates of benzoic and ferulic acids, which accounted collectively for two thirds of total excretion.ConclusionOat bran phenolics follow a relatively rapid urinary excretion, with 30 metabolites excreted within 8 h of intake. These levels of excretion suggest that bound phenolics are, in part, rapidly released by the microbiota.
Understanding parent–teacher agreement of the Strengths and Difficulties Questionnaire (SDQ): Comparison across seven European countries
Authors: Cheng Sabrina , Keyes Katherine M. , Bitfoi Adina , Carta Mauro Giovanni , Koç Ceren , Goelitz Dietmar , Otten Roy , Lesinskiene Sigita , Mihova Zlatka , Pez Ondine , Kovess‐Masfety Viviane 
Published: October 2017

AbstractAssessments of child psychopathology are often derived from parental and teacher reports, yet there is substantial disagreement. This study utilized data from 7 European countries to examine parent–teacher agreement and possible explanatory factors for parent–teacher disagreement such as child and family characteristics, parenting dimensions, and maternal distress were explored. Parent–teacher agreement of the Strengths and Difficulties Questionnaire were assessed using a cross‐sectional survey of 4,894 school aged children 6–11 from the School Children Mental Health Europe Project. Parent–teacher agreement was low to moderate (Pearson correlation ranging from .24 (Prosocial) to .48 (Hyperactivity) for the 5 subscales across 7 countries); kappa coefficient ranged from .01 (Turkey) to .44 (Italy) for internalizing problems and .19(Romania) to .44(Italy) for externalizing problems. Child's gender and age, mother's employment status, single parent home, number of children in household, and selected parenting dimension were found to be explanatory of informant disagreement. This study not only serves to advance our understanding of parent–teacher agreement of the Strengths and Difficulties Questionnaire in 7 European countries but provides a novel approach to examining the factors that contribute to informant disagreement.
Nearly dynamic programming NN‐approximation–based optimal control for greenhouse climate: A simulation study
Authors: Su Yuanping , Xu Lihong , Goodman Erik D. 
Published: October 2017

SummaryGreenhouse production must create a suitable growth environment for its crop to improve yield while minimizing the energy used to maintain the greenhouse environment, thereby reducing production cost. To this end, this paper develops a nearly optimal control approach based on adaptive dynamic programming. In this method, 3 neural networks are used to estimate the value function and control policy and to compensate for the unmodeled dynamics of the greenhouse climate. Taking into account the greenhouse system typically being an overactuated system, the total control efforts for heat, fog, and CO2 are considered as the virtual control inputs to be generated by the optimal controller. To obtain the real control inputs, a control allocation technique is introduced to distribute the virtual control inputs to the actuators. Finally, Lyapunov stability analysis is performed to derive the update law of the neural networks to ensure the asymptotic convergence of the closed‐loop system, and simulation is carried out to illustrate the effectiveness and control performance of the proposed approach.
Prenatal molecular diagnosis in RASA1‐related disease
Authors: Palmyre Aurélien , Eyries Mélanie , Senat Marie‐Victoire , Ozanne Augustin , Staraci Stéphanie , Dufour Philippe , Chinet Thierry , Lacombe Pascal , Soubrier Florent , Charron Philippe 
Published: October 2017

AbstractRASA1‐related disease is a rare autosomal dominant disease characterized by capillary malformations, arteriovenous malformations (AVMs), and/or arteriovenous fistulas (AFVs). Penetrance is nearly complete and vascular malformations may cause serious complications such as organ injury due to oxygenation disorder, brain abscess, hemorrhage, and stroke. Early diagnosis is useful in order to discuss optimal management, including AVMs/AVFs embolization or surgical procedures, and try to prevent some of the complications. In this context, molecular testing of RASA1 gene mutation in relatives may help to better manage the family. All arteriovenous malformations are however not accessible to such procedures. In addition, these therapeutic procedures may result in potential side effects and complications.A couple was referred to our genetics unit and asked us for prenatal genetic testing about a RASA1 mutation. Here, we discuss about arguments that led our team to accept prenatal testing. To the best of our knowledge, no molecular prenatal diagnosis was reported until now in RASA1‐related diseases. This first report of prenatal diagnosis in RASA1‐related diseases may also offer perspectives for a more general discussion in the field of inherited arteriovenous malformations.
Doping effects of cerium ion on structure and electrochemical properties of polyaniline
Authors: Li Zhihua , Shen Yuting , Li Yanbo , Zheng Feng , Liu Lanlan 
Published: October 2017

AbstractPolyaniline (PANI)/Ce3+and PANI/Ce4+composites were successfully prepared byin situpolymerization in an aqueous solution of poly(2‐acrylamido‐2‐methylpropane sulfonic acid) and characterized by Fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy, X‐ray photoelectron spectroscopy, SEM, TEM and electrochemical methods. The results showed that the PANI/Ce ion composites had a high degree of sphericity, high electrical conductivity and good electrochemical performance. The conductivity of PANI/Ce(NO3)3reaches a maximum of 46.76 S cm−1at 20 wt% of Ce(NO3)3. It is increased by 377% by comparison with that of pure PANI. In particular, the polarization results showed that the corrosion current density (0.47 µA cm−2) and the inhibition efficiency (97%) of PANI/Ce(NO3)3were better than the results for PANI and PANI/Ce(SO4)2composite. This suggested that the PANI/Ce(NO3)3composite has promising applications in conductive materials, anticorrosion coatings and other related fields. © 2017 Society of Chemical Industry
Frontal Polymerization of Deep Eutectic Solvents Composed of Acrylic and Methacrylic Acids
Authors: Fazende Kylee F. , Phachansitthi Manysa , Mota‐Morales Josué D. , Pojman John A. 
Published: October 2017

ABSTRACTFrontal polymerization of deep eutectic solvents (DESs) made with acrylic or methacrylic acid as the monomer and hydrogen bond donor was studied. Fronts with acrylic acid and choline chloride propagated more uniformly than with pure acrylic acid, so an exploration into how the DES affected frontal polymerization was performed. The hydrogen bond acceptor of the DES was replaced by several analogs to determine the effect on the DES front behavior. The analogs used were talc, DMSO, lauric acid, and stearic acid, which acted as a heat sink, inert diluent, hydrogen bonding diluent, and inert phase change material, respectively. None of the methacrylic acid‐analog systems were able to sustain a front. While the acrylic acid‐analog systems did sustain a front (with the exception of stearic acid), none of the fronts replicated the acrylic acid DES behavior. The acrylic acid–talc sample behaved more violently—like pure acrylic acid polymerization—than the acrylic acid DES, and the DMSO and lauric acid samples produced slower fronts than that of the acrylic acid DES. We propose that the reactivity of the acrylic acid and methacrylic acid is enhanced in the DES. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 4046–4050
Facile synthesis of hyperbranched poly(p‐phenyleneethynylene‐alt‐m‐phenyleneethynylene) with narrow dispersity and high branching degree by sonogashira polymerization of an AB2 monomer
Authors: Wang Biyun , Tan Qinglan , Lu Jiang , Liang Hui 
Published: October 2017

ABSTRACTAn AB2 monomer PhBr2CCPhCCH containing one acetylene group and two bromide groups was efficiently synthesized by a strategy based on the different reactivity between aromatic iodide and bromide in Sonogashira reaction. The Sonogashira polymerization of PhBr2CCPhCCH was investigated to get hyperbranched poly(p‐phenyleneethynylene‐alt‐m‐phenyleneethynylene) (hb‐PMPE) in terms of the effects of monomer addition method, core molecule with different functionality, and ratio of [monomer]/[core molecule]. The results showed that narrow dispersities (D) (D: 1.23∼1.50) were obtained by slow monomer addition and with core molecule. Bifunctional core molecule induced narrower dispersity than monofunctional core molecule. The molecular weight of hb‐PMPE increased with increasing ratio of [monomer]/[core molecule], however, a negative deviation from calculated value was observed. The dispersity slightly increased with increasing [monomer]/[core molecule]. When the ratio of [monomer]/[core molecule] was below 50/1, monomodal distribution was observed; whereas when the ratio increased to 70/1, bimodal distribution was obtained. All the polymers showed degrees of branching (DBs) around 0.6. The hb‐PMPEs showed one major absorption band with λmax around 330 nm, and emission band with λmax around 390 nm. All the polymers showed relative quantum yields (Φr) above 0.5 in dilute THF solution. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 96–104
Anisotropy development during HDPE necking studied at the microscale with in situ continuous 1D SAXS scans
Authors: Farge Laurent , Boisse Julien , Bihannic Isabelle , Diaz Ana , André Stéphane 
Published: October 2017

ABSTRACTTo improve our understanding of the rheology of solid semi‐crystalline polymers, descriptions of the deformation‐induced microstructural reorganization mechanisms with precise and local quantitative data are needed. The novel results presented in this paper for high‐density polyethylene (HDPE) were obtained in situ on a coherent synchrotron beamline specifically developed to allow very fast scanning of a specimen under tensile test. From the recorded small angle X‐ray scattering (SAXS) patterns, a quantitative index characterizing the microstructure local anisotropy was calculated. With the scanning operating mode, many different material points could be studied. These material points were subjected to various deformation paths in the plastic regime due to the necking development and its propagation. Their positions and strain evolutions were obtained through digital image correlation (DIC). With an appropriate analysis coupling the bulk‐averaged SAXS and DIC surface measurements, the microstructural anisotropy index is shown to have a given value at a given true strain. This means that the microstructure morphology is only governed by the current strain level. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 170–181
PixelDB: Protein–peptide complexes annotated with structural conservation of the peptide binding mode
Authors: Frappier Vincent , Duran Madeleine , Keating Amy E. 
Published: October 2017

AbstractPixelDB, the Peptide Exosite Location Database, compiles 1966 non‐redundant, high‐resolution structures of protein–peptide complexes filtered to minimize the impact of crystal packing on peptide conformation. The database is organized to facilitate study of structurally conserved versus non‐conserved elements of protein–peptide engagement. PixelDB clusters complexes based on the structural similarity of the peptide‐binding protein, and by comparing complexes within a cluster highlights examples of domains that engage peptides using more than one binding mode. PixelDB also identifies conserved peptide core structural motifs characteristic of each binding mode. Peptide regions that flank core motifs often make non‐structurally conserved interactions with the protein surface in regions we call exosites. Many examples establish that exosite contacts can be important for enhancing protein binding and interaction specificity. PixelDB provides a resource for computational and structural biologists to study, model, and predict core‐motif and exosite‐contacting peptide interactions. PixelDB is available to the community without restriction in a convenient flat‐file format with accompanying visualization tools.