bluuebunny/crossref_metadata_2025 huggingface dataset:
Sharing values as a foundation for collective hope
Authors: Harré Niki , Madden Helen , Brooks Rowan , Goodman Jonathan
Published: August 2017

A widespread “tale of terror” amongst those seeking social change is that people in modern Western societies are caught in a neo-liberal paradigm and have come to care most about materialism, individual success and status. Our research attempted to challenge this tale. Study 1 involved New Zealand participants (N = 1085) from largely, but not exclusively, left-leaning groups. We used an open-ended process to identify their “infinite” values (that which they consider of value for its own sake); and found these concerned connection to people and other life forms, expression, nature, personal strengths, vitality, and spirituality. Systems and regulations, success and status, money, ownership and domination were named as of “finite” value (of value because of what they signify or enable). These findings suggest that our participants readily distinguished between what is inherently valuable and what is of instrumental value or signifies social status. Study 2 (N = 121) investigated participants’ responses to a word cloud that displayed the infinite values identified in Study 1. These were predominantly a sense of belonging to a human community, reassurance, and feeling uplifted and hopeful. We suggest that the word cloud offered a “tale of joy” showing that, contrary to standard neo-liberal rhetoric, people do care deeply about the common good. We also suggest that such a tale is critical to social movements that depend on a sense of collective hope.
Cross-cultural differences in adjustment to aging: A comparison between Mexico and Portugal
Authors: Mendoza-Ruvalcaba Neyda Ma. , von Humboldt Sofia , Arias-Merino Elva Dolores , Leal Isabel
Published: August 2017

Objective

To compare Adjustment to Aging (AtA) and Satisfaction with Life in a Mexican and a Portuguese older sample.

Method

A total of 723 (n = 340 Mexican and n = 383 Portuguese) older adults were included and assessed with the AtA Scale (ATAS) and the Satisfaction with Life Scale (SWL). Informed consent was obtained from all participants. Portuguese participants were significantly older than Mexicans (mean age 85.19 and 71.36 years old, respectively) and showed higher education level (p < .001). No significant differences on gender and marital status were found.

Results

Mexicans considered all aspects of AtA absolutely more important than their Portuguese counterparts (p < .001). For Mexicans, being cherished by their family (82.1%), being healthy, without pain or disease (75.9%), having spiritual religious and existential values (75%) and having fun and laughter (75%) were the most important for AtA, compared to having curiosity and an interest in learning (22.5%), creating and being creative (20.1%) and leaving a mark and seed for the future (18.0%) for Portuguese participants. Mexicans also reported a higher SWL than Portuguese participants. Mean scores were 6.10 (SD = 0.76) and 3.66 (SD = 1.47) respectively (p < .001). AtA and SWL were correlated in the Mexican sample (p = .001), but not in the Portuguese (p = .100).

Discussion

Differences on AtA between Mexican and Portuguese older adults should be explained considering their cultural and social context, and their socio-demographic characteristics. The enhancement of AtA, and its relevance to improve well-being and longevity can become a significant resource or health care interventions.
Kuro ir energijos naudojimo Lietuvoje ir jos pramonėje 2010–2015 m. analizė
Authors: Gaigalis Vygandas , Škėma Romualdas
Published: August 2017

Straipsnyje aprašomi ir analizuojami ūkio raidos, kuro ir energijos naudojimo Lietuvoje bei jos pramonėje 2010–2015  m. ypatumai, kitimo tendencijos. Parodyta šio laikotarpio bendrojo vidaus produkto augimo sparta, pramonės dalis bendrojoje pridėtinėje vertėje, bendrųjų vidaus ir galutinių energijos sąnaudų sudėtis ir pokyčių tendencijos pabrėžiant vietinių ir atsinaujinančių energijos išteklių indėlį bendrosiose vidaus sąnaudose. Pateikti visos pramonės ir jos pagrindinių dedamųjų produkcijos indeksai, galutinis energijos sunaudojimas bei jo kitimo tendencijos pažymint didžiuosius pramonės elektros energijos, gamtinių dujų, šiluminės energijos, akmens anglių, malkų ir medienos atliekų bei skysto kuro (mazutų) vartotojus pagal ekonominės veiklos rūšis. Parodytos pramonės įmonių išlaidos aplinkos apsaugai bei pramonės plėtrą stabdantys veiksniai.
Memorial: A serra dos Aimorés, uma barreira
Authors: Mendonça Marcos Cândido
Published: August 2017

A resenha elaborada refere-se ao memorial A Serra dos Aimorés, uma barreira, publicado em 1949. A obra expõe a arguição do Estado do Espírito Santo contra Minas Gerais, na questão dos limites territoriais entre os dois estados na região situada ao norte do rio Doce, para responder a uma ação impetrada em 1948 por Minas Gerais, que, em desacordo com o laudo de demarcação dos limites proferido pelo Serviço Geográfico do Exército, reivindicava a posse dessa área. Nesse embate, o aspecto mais notável é a negação de reconhecimento por parte de Minas Gerais do traçado da serra dos Aimorés na região situada ao norte do rio Doce.
The grape rootworm, Fidia viticida (Coleoptera: Chrysomelidae), newly recorded from Quebec
Authors: Vincent Charles , Dumont Stéphane , de Tonnancour Pierre
Published: August 2017

The occurrence of the North American native grape rootworm, Fidia viticida Walsh (Coleoptera: Chrysomelidae), is reported for the first time in Quebec. During the summer of 2016, adults were beaten from Virginia creeper, Parthenocissus quinquefolia, and riverbank grape, Vitis riparia, along the Papineau-Leblanc Highway in Laval, Quebec. Fidia viticida is a pest of cultivated grapes in the Lake Erie area. Its current pest status in Canada is unknown.
Major satellite repeat RNA stabilize heterochromatin retention of Suv39h enzymes by RNA-nucleosome association and RNA:DNA hybrid formation
Authors: Velazquez Camacho Oscar , Galan Carmen , Swist-Rosowska Kalina , Ching Reagan , Gamalinda Michael , Karabiber Fethullah , De La Rosa-Velazquez Inti , Engist Bettina , Koschorz Birgit , Shukeir Nicholas , Onishi-Seebacher Megumi , van de Nobelen Suzanne , Jenuwein Thomas
Published: August 2017

The Suv39h1 and Suv39h2 histone lysine methyltransferases are hallmark enzymes at mammalian heterochromatin. We show here that the mouse Suv39h2 enzyme differs from Suv39h1 by containing an N-terminal basic domain that facilitates retention at mitotic chromatin and provides an additional affinity for major satellite repeat RNA. To analyze an RNA-dependent interaction with chromatin, we purified native nucleosomes from mouse ES cells and detect that Suv39h1 and Suv39h2 exclusively associate with poly-nucleosomes. This association was attenuated upon RNaseH incubation and entirely lost upon RNaseA digestion of native chromatin. Major satellite repeat transcripts remain chromatin-associated and have a secondary structure that favors RNA:DNA hybrid formation. Together, these data reveal an RNA-mediated mechanism for the stable chromatin interaction of the Suv39h KMT and suggest a function for major satellite non-coding RNA in the organization of an RNA-nucleosome scaffold as the underlying structure of mouse heterochromatin.
Impact of nucleic acid and methylated H3K9 binding activities of Suv39h1 on its heterochromatin assembly
Authors: Shirai Atsuko , Kawaguchi Takayuki , Shimojo Hideaki , Muramatsu Daisuke , Ishida-Yonetani Mayumi , Nishimura Yoshifumi , Kimura Hiroshi , Nakayama Jun-ichi , Shinkai Yoichi
Published: August 2017

SUV39H is the major histone H3 lysine 9 (H3K9)-specific methyltransferase that targets pericentric regions and is crucial for assembling silent heterochromatin. SUV39H recognizes trimethylated H3K9 (H3K9me3) via its chromodomain (CD), and enriched H3K9me3 allows SUV39H to target specific chromosomal regions. However, the detailed targeting mechanisms, especially for naïve chromatin without preexisting H3K9me3, are poorly understood. Here we show that Suv39h1’s CD (Suv39h1-CD) binds nucleic acids, and this binding is important for its function in heterochromatin assembly. Suv39h1-CD had higher binding affinity for RNA than DNA, and its ability to bind nucleic acids was independent of its H3K9me3 recognition. Suv39h1 bound major satellite RNAs in vivo, and knockdown of major satellite RNAs lowered Suv39h1 retention on pericentromere. Suv39h1 mutational studies indicated that both the nucleic acid–binding and H3K9me–binding activities of Suv39h1-CD were crucial for its pericentric heterochromatin assembly. These results suggest that chromatin-bound RNAs contribute to creating SUV39H’s target specificity.
Silencing repetitive DNA
Authors: Iglesias Nahid , Moazed Danesh
Published: August 2017

Some RNAs in mammalian cells can help to silence the DNA they are transcribed from.
Anomalous hydrographic conditions off the northwestern coast of the Baja California Peninsula during 2013–2016
Authors: Durazo Reginaldo , Castro Rubén , Miranda Luis E , Delgadillo-Hinojosa Francisco , Mejía-Trejo Adán
Published: August 2017

A succession of interannual warm events occurred in the Pacific during the 2013–2016 period, when positive thermal anomalies were detected. A broad region with abnormally warm waters in the northeastern Pacific Ocean was observed in 2013, which by 2015 had reached waters off Baja California (Mexico). In addition to the ongoing warming effect, early evidence of an El Niño event was detected in 2015. This paper analyzes hydrographic data measured at Todos Santos Bay and environs, as well as satellite-derived sea-level data, to characterize changes in the hydrographic conditions during the 2013–2016 period. The highest positive temperature anomalies (~5 ºC) were observed in September 2015, with a steep decline to neutral conditions in spring 2016. Records for the bay showed slight variations in hydrographic conditions during spring, highlighting the importance of local over remote forcings during this time of year. In autumn, by contrast, interannual signals prevailed over local processes. Satellite-derived sea-level data revealed an alongshore propagation of remote signals, identified as shallow coastal poleward flows.
Effects of the interannual variability of water column stratification on phytoplankton production and biomass in the northern zone off Baja California
Authors: Gómez-Ocampo Eliana , Durazo Reginaldo , Gaxiola-Castro Gilberto , De la Cruz-Orozco Martin , Sosa-Ávalos Ramón
Published: August 2017

The ocean off the Baja California Peninsula (Mexico) has been affected by interannual processes. Some of these processes have produced changes in oceanic circulation and the atmosphere, which have been reflected in the structure of the water column. Stratification, defined as the amount of energy needed to mix water throughout the water column, determines nutrient availability in the euphotic zone for phytoplankton growth. The aim of this study is to describe and relate the interannual variations of phytoplankton production and biomass with changes in the structure of the water column. To this end, we analyzed time series (1997–2016) for integrated Chlorophyll a, integrated primary production, pycnocline depth, mixed layer depth, and stratification indices along line 100 of the Investigaciones Mexicanas de la Corriente de California (IMECOCAL) program. The results showed 2 periods of high stratification and a decrease in phytoplankton production and biomass off Baja California, corresponding to the intrusion of subarctic water and El Niño 2015–2016. Finally, by using generalized additive models, we related 2 photosynthethic parameters-maximum photosynthetic rate and maximum light utilization coefficient-with water stratification. These relationships explained interannual variations in phytoplankton production in terms of water column stratification. The time series and the analysis reported here for IMECOCAL line 100 could be used to extrapolate the effects of interannual physical processes on phytoplankton in other zones off the Baja California peninsula.
The influence of interfacial slip on two‐phase flow in rough pores
Authors: Kucala Alec , Martinez Mario J. , Wang Yifeng , Noble David R.
Published: August 2017

The migration and trapping of supercritical CO2 (scCO2) in geologic carbon storage is strongly dependent on the geometry and wettability of the pore network in the reservoir rock. During displacement, resident fluids may become trapped in the pits of a rough pore surface forming an immiscible two‐phase fluid interface with the invading fluid, allowing apparent slip flow at this interface. We present a two‐phase fluid dynamics model, including interfacial tension, to characterize the impact of mineral surface roughness on this slip flow. We show that the slip flow can be cast in more familiar terms as a contact‐angle (wettability)‐dependent effective permeability to the invading fluid, a nondimensional measurement which relates the interfacial slip to the pore geometry. The analysis shows the surface roughness‐induced slip flow can effectively increase or decrease this effective permeability, depending on the wettability and roughness of the mineral surfaces. Configurations of the pore geometry where interfacial slip has a tangible influence on permeability have been identified. The results suggest that for large roughness features, permeability to CO2 may be enhanced by approximately 30% during drainage, while the permeability to brine during reimbibition may be enhanced or diminished by 60%, depending on the contact angle with the mineral surfaces and degrees of roughness. For smaller roughness features, the changes in permeability through interfacial slip are small. A much larger range of effective permeabilities are suggested for general fluid pairs and contact angles, including occlusion of the pore by the trapped phase.
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

Machine 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

Accurate 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

Hydropower 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.
Tailoring Amino‐Functionalized Graphitic Carbon‐Encapsulated Gold Core/Shell Nanostructures for the Sensitive and Selective Detection of Copper Ions
Authors: Hu Rui , Furukawa Taiki , Wang Xiangke , Nagatsu Masaaki
Published: July 2017

The effective transfer of strong electromagnetic field from the gold core through the coating shell represents the most significant challenge for the applications of plasmonic nanoparticles. This study applies a one‐step arc discharge method to synthesize graphitic carbon‐encapsulated gold nanoparticles (Au@G NPs) functionalized with amino groups uniformly via adding NH3 into He background gas. By tailoring the coating shell into few‐layered graphene, a strong localized surface plasmon resonance (LSPR) absorption band is achieved. The NH3 introduces H radicals to strengthen the LSPR characteristic by etching the coating graphitic shell, as well as provides dissociated NH or NH2 species to functionalize the surfaces with amino groups. With an LSPR‐based colorimetric method, it is demonstrated that trace Cu2+ ions can be detected rapidly with excellent sensitivity (as low as 10 × 10‐9m linearly) and selectivity against other metal ions (Na+, K+, Mg2+, Ca2+, Co2+, Fe2+, Cd2+, Pb2+, and Hg2+ ions) by amino‐functionalized Au@G NPs in water samples.
Exceptional High‐Performance of Pt‐Based Bimetallic Catalysts for Exclusive Detection of Exhaled Biomarkers
Authors: Kim Sang‐Joon , Choi Seon‐Jin , Jang Ji‐Soo , Cho Hee‐Jin , Koo Won‐Tae , Tuller Harry L. , Kim Il‐Doo
Published: July 2017

Achieving an improved understanding of catalyst properties, with ability to predict new catalytic materials, is key to overcoming the inherent limitations of metal oxide based gas sensors associated with rather low sensitivity and selectivity, particularly under highly humid conditions. This study introduces newly designed bimetallic nanoparticles (NPs) employing bimetallic Pt‐based NPs (PtM, where M = Pd, Rh, and Ni) via a protein encapsulating route supported on mesoporous WO3nanofibers. These structures demonstrate unprecedented sensing performance for detecting target biomarkers (even at p.p.b. levels) in highly humid exhaled breath. Sensor arrays are further employed to enable pattern recognition capable of discriminating between simulated biomarkers and controlled breath. The results provide a new class of multicomponent catalytic materials, demonstrating potential for achieving reliable breath analysis sensing.
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

Bifunctional 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

2D 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.
Broadband Multiplane Holography Based on Plasmonic Metasurface
Authors: Wei Qunshuo , Huang Lingling , Li Xiaowei , Liu Juan , Wang Yongtian
Published: August 2017

Because of its capability of recording both the amplitude and phase information of light, holography is considered as one of the most attractive approaches for reconstructing vivid 3D optical images. Recently, metasurfaces, consisting of arrays of subwavelength antennas, have drawn much attention due to their unique ability of light manipulation to enable the reconstruction of arbitrary wavefront, which promises a bright prospect for holograms with large information capacity. Here, multiplane holography with large information capacity by plasmonic metasurfaces using coupled dimers as components is realized. This study chooses an iterative 3D Fienup algorithm to get the phase profiles of such metasurface holograms. Two different metaholograms are fabricated to experimentally demonstrate the position and polarization multiplexing capacity, and the correlation coefficients between reconstructed images and target objects are analyzed to ensure the reconstruction quality. Such metasurfaces promise to be an outstanding alternative device for 3D holography and can be employed in various practical applications such as beam shaping, phase control, spin‐hall effect of light, invisibility cloaking, data storage, and so on.
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

A 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
π‐Conjugated Donor Polymers: Structure Formation and Morphology in Solution, Bulk and Photovoltaic Blends
Authors: Hildner Richard , Köhler Anna , Müller‐Buschbaum Peter , Panzer Fabian , Thelakkat Mukundan
Published: August 2017

The field of conjugated polymers has expanded in the last years considerably and impressive performance, both in field effect transistors and photovoltaic devices has been achieved. After the initial emphasis on improving the performance, more emphasis is recently given to fundamental studies on structure formation. Therefore, this review concentrates on systematic correlation studies of structure formation in solution, in bulk and thin films as well as in photovoltaic blends of donor‐type π‐conjugated polymers. The main focus is on the correlation of structure, morphology and molecular chain orientation as a function of macromolecular properties such as molecular weight, dispersity, non‐covalent intramolecular and intermolecular interactions, solvent interactions and innovative processing techniques. The tools applied for elucidating fundamental information of structure formation and orientation mainly consist of optical spectroscopy and scattering techniques (SAXS/WAXS/GIWAXS). Since the field of conjugated polymers is very vast in terms of chemical structural diversity, only selected examples of donor polymers are covered here and the emerging class of n‐type conjugated polymers are not included. The focus is not on the structural variation or their performance in solar cells or transistors in terms of record efficiencies, but on the systematic studies leading to a structure‐property correlation in donor polymers.
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

The 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

Twisted 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

For 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

The 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

Silica 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

Background

Orofacial 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.

Methods

We 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.

Results

We 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.

Conclusion

Many 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

Background

Major 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.

Methods

We 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.

Results

We 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.

Conclusion

This 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

Carbon‐ 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

Für 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

Gustav 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 Message

Venomous 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.
N‐Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine
Authors: Vallejo‐López Montserrat , Écija Patricia , Vogt Natalja , Demaison Jean , Lesarri Alberto , Basterretxea Francisco J. , Cocinero Emilio J.
Published: July 2017

A rotational spectroscopy investigation has resolved the conformational equilibrium and structural properties of the alkaloid pseudopelletierine. Two different conformers, which originate from inversion of the N‐methyl group from an axial to an equatorial position, have been unambiguously identified in the gas phase, and nine independent isotopologues have been recorded by Fourier‐transform microwave spectroscopy in a jet expansion. Both conformers share a chair–chair configuration of the two bridged six‐membered rings. The conformational equilibrium is displaced towards the axial form, with a relative population in the supersonic jet of Naxial/Nequatorial≈2/1. An accurate equilibrium structure has been determined by using the semiexperimental mixed‐estimation method and alternatively computed by quantum‐chemical methods up to the coupled‐cluster level of theory. A comparison with the N‐methyl inversion equilibria in related tropanes is also presented.
Design and scale‐up of an alkylated Minisci reaction to produce ethionamide with 4‐cyanopyridine as raw materials
Authors: Liang Zhongrui , He Lichao , Wang Wenchao , Zhou Zhiyong , Ren Zhongqi
Published: August 2017

Tuberculosis is a serious bacterial infection in developing countries, especially in areas with drug resistance. The development of the anti‐tuberculosis drug ethionamide (ETA) is therefore particularly important. We have designed a new route for ETA synthesis and considered the drug's amenability to large‐scale manufacture. We evaluated different routes for the synthesis of ETA and selected the most suitable process for the industrial production of this material, which involved the Minisci reaction of 4‐cyanopyridine with propionic acid using a AgNO3/(NH4)2S2O8 catalyst system under acidic conditions. The effects of different parameters on the reaction were studied, and the production of the intermediate of 2‐ethyl‐4‐cyanopyridine was twice recrystallized from methanol to obtain pure ETA. In the Minisci reaction, the system was stirred for an additional 20 min at 80 °C after the addition of ammonium persulphate solution. The subsequent formation of thioamide was conducted at 40 °C to 60 °C for 1.5 h with a 1:5:2 molar ratio of 4‐cyanopyridine, propionic acid, and ammonium sulphide. The purity of the crude ETA reached 98.77  % after two recrystallization steps. This process could be scaled up on a much larger scale (1 kg), leading to the yield of alkylation reaction and overall yield of the production process as 44.06 % and 31.26 %, respectively.
Enzyme‐Triggered Fluorescence Turn‐on: A Probe for Specifically Imaging Ovarian‐Cancer‐Related γ‐Glutamyltranspeptidase
Authors: Tian Jie , Yan Qinglong , Zhu Ying , Zhang Jichao , Li Jiao , Shi Ben , Xu Ge , Fan Chunhai , Zhao Chunchang
Published: August 2017

A fluorescent turn‐on probe for specifically targeting γ‐glutamyltranspeptidase (GGT) was designed and synthesized by integrating boron‐dipyrromethene (BODIPY) as a chromophore and glutathione (GSH) as the GGT substrate. GGT‐catalyzed the cleavage of the γ‐glutamyl bond and generated the aromatic hydrocarbon transfer between the sulfur and the nitrogen atom in BODIPY, leading to distinct optical changes. Such specific responsiveness provides an easily distinguishable fluorescence signal to visualize the GGT activity in living cells and differentiate GGT‐positive cancer cells from GGT‐negative cells.
Copper‐Promoted Conversion of Aromatic Amines into Trifluoromethylated Arenes: One‐Pot Sandmeyer Trifluoromethylation
Authors: Hong Jianquan , Wang Guifu , Huo Lianguang , Zheng Changge
Published: August 2017

A simple copper‐promoted one‐pot Sandmeyer trifluoromethylation of aromatic amines with Langlois’ reagent has been demonstrated. The reaction is performed in mild reaction conditions under an air atmosphere with good substrate scope and functional group compatibility. It provides an alternative and straightforward synthetic approach to access a variety of trifluoromethylated arenes.