bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predicting redox‐sensitive contaminant concentrations in groundwater using random forest classification
Authors: Tesoriero Anthony J. , Gronberg Jo Ann , Juckem Paul F. , Miller Matthew P. , Austin Brian P. 
Published: August 2017

AbstractMachine learning techniques were applied to a large (n > 10,000) compliance monitoring database to predict the occurrence of several redox‐active constituents in groundwater across a large watershed. Specifically, random forest classification was used to determine the probabilities of detecting elevated concentrations of nitrate, iron, and arsenic in the Fox, Wolf, Peshtigo, and surrounding watersheds in northeastern Wisconsin. Random forest classification is well suited to describe the nonlinear relationships observed among several explanatory variables and the predicted probabilities of elevated concentrations of nitrate, iron, and arsenic. Maps of the probability of elevated nitrate, iron, and arsenic can be used to assess groundwater vulnerability and the vulnerability of streams to contaminants derived from groundwater. Processes responsible for elevated concentrations are elucidated using partial dependence plots. For example, an increase in the probability of elevated iron and arsenic occurred when well depths coincided with the glacial/bedrock interface, suggesting a bedrock source for these constituents. Furthermore, groundwater in contact with Ordovician bedrock has a higher likelihood of elevated iron concentrations, which supports the hypothesis that groundwater liberates iron from a sulfide‐bearing secondary cement horizon of Ordovician age. Application of machine learning techniques to existing compliance monitoring data offers an opportunity to broadly assess aquifer and stream vulnerability at regional and national scales and to better understand geochemical processes responsible for observed conditions.
The assessment of Global Precipitation Measurement estimates over the Indian subcontinent
Authors: Murali Krishna U. V. , Das Subrata Kumar , Deshpande Sachin M. , Doiphode S. L. , Pandithurai G. 
Published: July 2017

AbstractAccurate and real‐time precipitation estimation is a challenging task for current and future spaceborne measurements, which is essential to understand the global hydrological cycle. Recently, the Global Precipitation Measurement (GPM) satellites were launched as a next‐generation rainfall mission for observing the global precipitation characteristics. The purpose of the GPM is to enhance the spatiotemporal resolution of global precipitation. The main objective of the present study is to assess the rainfall products from the GPM, especially the Integrated Multi‐satellitE Retrievals for the GPM (IMERG) data by comparing with the ground‐based observations. The multitemporal scale evaluations of rainfall involving subdaily, diurnal, monthly, and seasonal scales were performed over the Indian subcontinent. The comparison shows that the IMERG performed better than the Tropical Rainfall Measuring Mission (TRMM)‐3B42, although both rainfall products underestimated the observed rainfall compared to the ground‐based measurements. The analyses also reveal that the TRMM‐3B42 and IMERG data sets are able to represent the large‐scale monsoon rainfall spatial features but are having region‐specific biases. The IMERG shows significant improvement in low rainfall estimates compared to the TRMM‐3B42 for selected regions. In the spatial distribution, the IMERG shows higher rain rates compared to the TRMM‐3B42, due to its enhanced spatial and temporal resolutions. Apart from this, the characteristics of raindrop size distribution (DSD) obtained from the GPM mission dual‐frequency precipitation radar is assessed over the complex mountain terrain site in the Western Ghats, India, using the DSD measured by a Joss‐Waldvogel disdrometer.
Using system dynamics simulation for assessment of hydropower system safety
Authors: King L. M. , Simonovic S. P. , Hartford D. N. D. 
Published: August 2017

AbstractHydropower infrastructure systems are complex, high consequence structures which must be operated safely to avoid catastrophic impacts to human life, the environment, and the economy. Dam safety practitioners must have an in‐depth understanding of how these systems function under various operating conditions in order to ensure the appropriate measures are taken to reduce system vulnerability. Simulation of system operating conditions allows modelers to investigate system performance from the beginning of an undesirable event to full system recovery. System dynamics simulation facilitates the modeling of dynamic interactions among complex arrangements of system components, providing outputs of system performance that can be used to quantify safety. This paper presents the framework for a modeling approach that can be used to simulate a range of potential operating conditions for a hydropower infrastructure system. Details of the generic hydropower infrastructure system simulation model are provided. A case study is used to evaluate system outcomes in response to a particular earthquake scenario, with two system safety performance measures shown. Results indicate that the simulation model is able to estimate potential measures of system safety which relate to flow conveyance and flow retention. A comparison of operational and upgrade strategies is shown to demonstrate the utility of the model for comparing various operational response strategies, capital upgrade alternatives, and maintenance regimes. Results show that seismic upgrades to the spillway gates provide the largest improvement in system performance for the system and scenario of interest.
Anchoring Ni2P Sheets on NiCo2O4 Nanocone Arrays as Optimized Bifunctional Electrocatalyst for Water Splitting
Authors: Wang Luyu , Gu Changdong , Ge Xiang , Zhang Jialei , Zhu Hongyi , Tu Jiangping 
Published: July 2017

AbstractBifunctional electrocatalyst is promising for the overall water splitting with high efficiency. Herein, inspired by the superior oxygen evolution reaction (OER) performance of transition metal oxide and remarkable hydrogen evolution reaction (HER) activity of transition metal phosphide, hierarchical NiCo2O4/Ni2P core–shell nanocone array on Ni foam is synthesized. The synergetic effect between the NiCo2O4 “core” and the Ni2P “shell” results in dramatically enhanced catalytic performance. It shows higher activity and longer durability in both OER and HER than bare NiCo2O4 or Ni2P. The hierarchical NiCo2O4/Ni2P catalyst is capable of catalyzing OER with a low overpotential of 250 mV at 10 mA cm−2 in alkaline media. Moreover, it shows excellent catalytic activity for HER to achieve 10 mA cm−2 at a small overpotential of 45 mV. When the NiCo2O4/Ni2P is adopted as both anode and cathode in a two‐electrode cell for overall water splitting, it only needs 1.59 V to reach a current density of 10 mA cm−2. Almost no decay is observed after the electrodes work for about 50 h. The newly developed electrocatalyst combines the satisfactory working stability with outstanding catalytic activity, which paves the way for exploring overall water splitting catalysts.
Adsorption of Gas Molecules on Graphene‐Like ZnO Nanosheets: The Roles of Gas Concentration, Layer Number, and Heterolayer
Authors: Meng Ruishen , Lu Xiaoling , Ingebrandt Sven , Chen Xianping 
Published: August 2017

Abstract2D layered materials have gained tremendous research interests for gas sensing applications because of their ultrahigh theoretical specific surface areas and unique electronic properties, which are prone to be influenced by external factors. Here, using first principle calculations, the adsorption of several common gas molecules on graphene‐like ZnO (g‐ZnO) is systematically studied by taking the gas concentration, homolayer number, and heterolayers into considerations. The calculation results show that the adsorption energies of all the selected gas molecules are susceptible to the concentration and the homolayer number, and they incline to gradually increase with the decreasing of the gas concentration or they dramatically increase with the raising in g‐ZnO layer number combined with elevated charge transfers. Besides, choosing graphene (MoS2) as a heterolayer material to stack with g‐ZnO can enhance (weaken) the interaction with NH3 (NO2) while weakening (enhance) that of NO2 (NH3), thus facilitating the selectivity to some extent. Further, Hirshfeld charge analysis and visualization of the charge density differences between the layers reveal the different charge transfers and adsorption mechanisms before and after gas adsorption. The results indicate that g‐ZnO and its homolayer and hetero‐bilayer structures can be promising candidates as gas sensing materials and catalysis.
Expeditious Synthesis of Enantioenriched Tetrahydropyrans via Chemoselective C−N bond Cleavage of Aza‐Oxa‐Bicyclo[3.2.1]Octanes
Authors: D'Elia Cecilia Sasso , Goudedranche Sébastien , Constantieux Thierry , Bella Marco , Bonne Damien , Rodriguez Jean 
Published: August 2017

AbstractA rapid synthesis of enantioenriched 2,3,4‐trisubstituted tetrahydropyrans in good yields and stereoselectivities is reported. The first step is a domino organocatalytic reaction between ambident electrophilic and 1,4‐bis‐nucleophilic 1,2‐ketoamides and 1,3‐bis‐electrophilic enals, leading to aza‐oxa‐bicyclo[3.2.1]octane. Then, the TiCl4/Et3SiH system ensures a chemoselective cleavage of the C−N bond and affords the desired trisubstituted tetrahydropyran in good yield and with conservation of the precursors optical purity. This final synthetic operation includes two consecutive oxocarbenium ion formation and reductions.magnified image
Solvent‐Controlled Copper‐Catalyzed Radical Decarboxylative Coupling for Alkenyl C(sp2)−P Bond Formation
Authors: Tang Lin , Wen Lixian , Sun Tian , Zhang Di , Yang Zhen , Feng Chengtao , Wang Zhiyong 
Published: August 2017

AbstractThe first solvent‐controlled copper‐catalyzed oxidative decarboxylative coupling of alkenyl acids with P(O)H compounds for alkenyl C(sp2)−P bond formation by a free‐radical process is reported. The reaction enables the highly chemo‐ and stereoselective synthesis of various (E)‐alkenylphosphonates and (E)‐alkenylphosphinate oxides in moderate to good yields. On the basis of this catalytic system, styrenes and β‐nitrostyrene as well as alkenyl acids can also give the corresponding products by cross‐dehydrogenative coupling and denitration, respectively. By altering the oxidant, the oxyphosphorylation of styrenes with P(O)H compounds readily yields β‐ketophosphonates. The reaction described here enables a versatile and practical avenue for the formation of valuable C−P bonds.
Twisted Bilayer Graphene: Interlayer Configuration and Magnetotransport Signatures
Authors: Rode Johannes C. , Smirnov Dmitri , Belke Christopher , Schmidt Hennrik , Haug Rolf J. 
Published: July 2017

AbstractTwisted Bilayer Graphene may be viewed as very first representative of the now booming class of artificially layered 2D materials. Consisting of two sheets from the same structure and atomic composition, its decisive degree of freedom lies in the rotation between crystallographic axes in the individual graphene monolayers. Geometrical consideration finds angle‐dependent Moiré patterns as well as commensurate superlattices of opposite sublattice exchange symmetry. Beyond the approach of rigidly interposed lattices, this review takes focus on the evolving topic of lattice corrugation and distortion in response to spatially varying lattice registry. The experimental approach to twisted bilayers requires a basic control over preparation techniques; important methods are summarized and extended on in the case of bilayers folded from monolayer graphene via AFM nanomachining. Central morphological parameters to the twisted bilayer, rotational mismatch and interlayer separation are studied in a broader base of samples. Finally, experimental evidence for a number of theoretically predicted, controversial electronic scenarios are reviewed; magnetotransport signatures are discussed in terms of Fermi velocity, van Hove singularities and Berry phase and assessed with respect to the underlying experimental conditions, thereby referring back to the initially considered variations in relaxed lattice structure.
Homoleptic Alkynyl‐Protected Gold Nanoclusters: Au44(PhC≡C)28 and Au36(PhC≡C)24
Authors: Wan Xian‐Kai , Guan Zong‐Jie , Wang Quan‐Ming 
Published: July 2017

AbstractFor the first time total structure determination of homoleptic alkynyl‐protected gold nanoclusters is reported. The nanoclusters are synthesized by direct reduction of PhC≡CAu, to give Au44(PhC≡C)28 and Au36(PhC≡C)24. The Au44 and Au36 nanoclusters have fcc‐type Au36 and Au28 kernels, respectively, as well as surrounding PhC≡C‐Au‐C2(Ph)Au‐C≡CPh dimeric “staples” and simple PhC≡C bridges. The structures of Au44(PhC≡C)28 and Au36(PhC≡C)24 are similar to Au44(SR)28 and Au36(SR)24, but the UV/Vis spectra are different. The protecting ligands influence the electronic structures of nanoclusters significantly. The synthesis of these two alkynyl‐protected gold nanoclusters indicates that a series of gold nanoclusters in the general formula Aux(RC≡C)y as counterparts to Aux(SR)y can be expected.
Tritopic NHC Precursors: Unusual Nickel Reactivity and Ethylene Insertion into a C(sp3)–H Bond
Authors: Ren Xiaoyu , Gourlaouen Christophe , Wesolek Marcel , Braunstein Pierre 
Published: July 2017

AbstractThe imidazolium chloride [C3H3N(C3H6NMe2)N{C(Me)(=NDipp)}]Cl (1; Dipp=2,6‐diisopropyl phenyl), a potential precursor to a tritopic NimineCNHCNamine pincer‐type ligand, reacted with [Ni(cod)2] to give the NiI‐NiI complex 2, which contains a rare cod‐derived η3‐allyl‐type bridging ligand. The implied intermediate formation of a nickel hydride through oxidative addition of the imidazolium C−H bond did not occur with the symmetrical imidazolium chloride [C3H3N2{C(Me)(=NDipp)}2]Cl (3). Instead, a Ni−C(sp3) bond was formed, leading to the neutral NimineCHNimine pincer‐type complex Ni[C3H3N2{C(Me)(=NDipp)}2]Cl (4). Theoretical studies showed that this highly unusual feature in nickel NHC chemistry is due to steric constraints induced by the N substituents, which prevent Ni−H bond formation. Remarkably, ethylene inserted into the C(sp3)−H bond of 4 without nickel hydride formation, thus suggesting new pathways for the alkylation of non‐activated C−H bonds.
Simultaneously reduced viscosity and enhanced strength of liquid silicone rubber/silica composites by silica surface modification
Authors: Geng Chengzhen , Zhang Qian , Lei Weihua , Yu Fengmei , Lu Ai 
Published: July 2017

ABSTRACTSilica is the most widely‐used filler to reinforce liquid silicone rubber (LSR), but the high viscosity of LSR/silica suspension significantly limits its processing flexibility. To balance the processibility and reinforcing efficiency of LSR/silica systems, two kinds of enols (propenol and 1‐undecylenyl alcohol) and a saturated alcohol (1‐undecylic alcohol) were employed to modify the silica surface. Various rheological tests were carried out to investigate the processibility as well as filler networking and crosslinking processes of the modified systems. Tensile tests were also adopted to verify the reinforcing effect. It was found that surface modification of silica by 1‐undecylenyl alcohol could significantly reduce the viscosity of its suspension with LSR. Meanwhile, the mechanical strength of LSR could be largely enhanced by six times with 10 wt % modified silica. This work will merit design and production of LSR materials with balanced processibility and mechanical performance. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2017,134, 45544.
Identifying Genetic Sources of Phenotypic Heterogeneity in Orofacial Clefts by Targeted Sequencing
Authors: Carlson Jenna C. , Taub Margaret A. , Feingold Eleanor , Beaty Terri H. , Murray Jeffrey C. , Marazita Mary L. , Leslie Elizabeth J. 
Published: August 2017

BackgroundOrofacial clefts (OFCs), including nonsyndromic cleft lip with or without cleft palate (NSCL/P), are common birth defects. NSCL/P is highly heterogeneous with multiple phenotypic presentations. Two common subtypes of NSCL/P are cleft lip (CL) and cleft lip with cleft palate (CLP) which have different population prevalence. Similarly, NSCL/P can be divided into bilateral and unilateral clefts, with unilateral being the most common. Individuals with unilateral NSCL/P are more likely to be affected on the left side of the upper lip, but right side affection also occurs. Moreover, NSCL/P is twice as common in males as in females. The goal of this study is to discover genetic variants that have different effects in case subgroups.MethodsWe conducted both common variant and rare variant analyses in 1034 individuals of Asian ancestry with NSCL/P, examining four sources of heterogeneity within CL/P: cleft type, sex, laterality, and side.ResultsWe identified several regions associated with subtype differentiation: cleft type differences in 8q24 (p = 1.00 × 10−4), laterality differences in IRF6, a gene previously implicated with wound healing (p = 2.166 × 10−4), sex differences and side of unilateral CL differences in FGFR2 (p = 3.00 × 10−4; p = 6.00 × 10−4), and sex differences in VAX1 (p < 1.00 × 10−4) among others.ConclusionMany of the regions associated with phenotypic modification were either adjacent to or overlapping functional elements based on ENCODE chromatin marks and published craniofacial enhancers. We have identified multiple common and rare variants as potential phenotypic modifiers of NSCL/P, and suggest plausible elements responsible for phenotypic heterogeneity, further elucidating the complex genetic architecture of OFCs. Birth Defects Research 109:1030–1038, 2017. © 2017 Wiley Periodicals, Inc.
Major Birth Defects after Vaccination Reported to the Vaccine Adverse Event Reporting System (VAERS), 1990 to 2014
Authors: Moro Pedro L. , Cragan Janet , Lewis Paige , Sukumaran Lakshmi 
Published: August 2017

BackgroundMajor birth defects are important infant outcomes that have not been well studied in the postmarketing surveillance of vaccines given to pregnant women. We assessed the presence of major birth defects following vaccination in the Vaccine Adverse Event Reporting System (VAERS), a national spontaneous reporting system used to monitor the safety of vaccines in the United States.MethodsWe searched VAERS for reports of major birth defects during January 1, 1990, through December 31, 2014. We excluded birth defects from vaccines that had been studied in pregnancy registries or other epidemiological studies (e.g., human papilloma virus, varicella, measles/mumps/rubella, and anthrax vaccines). Birth defects were categorized into trimester of vaccination and classified based on the organs and/or systems affected. If several birth defects affecting different systems were described, we classified those as multiple body systems. Empirical Bayesian data mining was used to assess for disproportionate reporting.ResultsWe identified 50 reports of major birth defects; in 28 reports, the vaccine was given during the first trimester; 25 were reports with single vaccines administered. Birth defects accounted for 0.03% of all reports received by VAERS during the study period and 3.2% of pregnancy reports; reported defects affected predominately the musculoskeletal (N = 10) or nervous (N = 10) systems. No unusual clusters or specific birth defects were identified.ConclusionThis review of the VAERS database found that major birth defects were infrequently reported, with no particular condition reported disproportionally. Birth defects after routine maternal vaccination will continue to be monitored in VAERS for signals to prompt future studies. Birth Defects Research 109:1057–1062, 2017. © 2017 Wiley Periodicals, Inc.
Carbonfaserbewehrung als Sensor für Bauwerke
Authors: Quadflieg Till , Stolyarov Oleg , Gries Thomas 
Published: August 2017

AbstractCarbon‐ und AR‐Glasfasern als Bewehrung für Beton sind korrosionsbeständiger als Stahl. In Form von Textilien aus Carbonfasern und AR‐Glas bilden sie in Kombination mit Beton den Werkstoff textilbewehrter Beton. Textilbewehrter Beton lässt sich im Vergleich zu Stahlbeton dünnwandiger in der Größenordnung weniger Millimeter ausführen, da er keine Mindestüberdeckung zum Korrosionsschutz der Bewehrung benötigt. Zudem sind Carbonfasern elektrisch leitend. Der Zusammenhang zwischen Dehnung und Änderung des elektrischen Widerstands der Fasern ermöglicht eine Bestimmung des Spannungszustands aufgrund der Widerstandsänderung. In Vorbereitung einer umfangreichen Grundlagenforschung wurden Versuche an unbeschichteten Carbongarnen im Beton durchgeführt. Es hat sich gezeigt, dass die Proportionalität zwischen Widerstandsänderung und Dehnung mit k‐Faktoren zwischen 1,5–3 bei Carbonfasern ähnlich der von Metall ist.
Zum Ermüdungsnachweis von druckschwellbeanspruchtem Beton
Authors: Oneschkow Nadja , Lohaus Ludger 
Published: August 2017

AbstractFür ermüdungsbelastete Bauwerke, insbesondere aus hochfesten Betonen, wird der Ermüdungsnachweis immer häufiger maßgebend für die Bemessung. Gleichzeitig existieren neuere Untersuchungsergebnisse, die zeigen, dass eine Weiterentwicklung des Ermüdungsnachweises sinnvoll und erforderlich ist. Das Sicherheitskonzept des Ermüdungsnachweises ist angelehnt an das Konzept der statischen Bemessung. Hieraus ergeben sich Besonderheiten und Herausforderungen bei der Weiterentwicklung dieses Nachweiskonzepts. Dieser Artikel gibt einen Überblick über die Struktur des Ermüdungsnachweises. Es werden die enthaltenen Beiwerte und ihre Bedeutung vor dem Hintergrund sicherheitstheoretischer Überlegungen erläutert. Hierauf basierend werden die für die Weiterentwicklung zu klärenden Fragen herausgearbeitet. In einem zweiten Artikel werden hierauf aufbauend die im Ermüdungsnachweis vorhandenen Sicherheiten diskutiert und das Potenzial für Weiterentwicklungen aufgezeigt.
„Ruhelos und unsteten Sinnes“ – Zur Bedeutung des Stahlbetonpioniers Gustav Adolf Wayss (1851–1917)
Authors: Stegmann Knut , Kuban Sabine 
Published: August 2017

AbstractGustav Adolf Wayss, Herausgeber der bekannten „Monierbroschüre“ von 1887 und Mitbegründer einiger der bedeutendsten Stahlbetonfirmen, gehört zu den umstrittensten Protagonisten des frühen Stahlbetonbaus in Deutschland. Teile der Literatur feiern ihn als erfolgreichen Ingenieur, der zentrale Grundlagen für die Einführung des Stahlbetonbaus gelegt hat. Andere Texte charakterisieren ihn als schlecht ausgebildeten Ingenieur, der wegen seines unsteten Charakters geschäftlich nicht langfristig erfolgreich war. Im Blick war bisher vor allem der Zeitraum um das Erscheinen der Monierbroschüre. Anlässlich des hundertsten Todestags beschäftigt sich der vorliegende Artikel mit Wayss' gesamtem Leben und Wirken, um einen neuen Blick auf diesen Ingenieur zu ermöglichen. Weiterhin zeigt die Auseinandersetzung mit Wayss auch, wie Bautechnikgeschichte geschrieben wird.
Severe Japanese Mamushi (Gloydius blomhoffii) bite
Authors: Toh Yoon Ezekiel Wong , Otani Yuichiro , Kabuto Syu 
Published: July 2017

Key Clinical MessageVenomous snake bites can be life threatening, occasionally requiring intensive care. For Mamushi bites, conservative treatment may be possible in mild cases but for severe cases or in cases where symptoms do not improve, a horse‐derived antivenom is indicated.