bluuebunny/crossref_metadata_2025_split huggingface dataset:
Einfache und doppelte metall‐ und reagensfreie anodische C‐C‐Kreuzkupplung von Phenolen mit Thiophenen
Authors: Wiebe Anton , Lips Sebastian , Schollmeyer Dieter , Franke Robert , Waldvogel Siegfried R. 
Published: October 2017

AbstractErstmals ist es gelungen, eine elektrochemische dehydrierende C‐C‐Kreuzkupplung von Thiophenen mit Phenolen durchzuführen. Diese nachhaltige und einfache anodische Kreuzkupplung eröffnet den Zugang zu zwei besonders interessanten Substanzklassen. Das Anwendungsgebiet der C‐H‐aktivierenden elektrochemischen Kreuzkupplung wurde dabei um Schwefelheterocyclen erweitert. Bisher konnten nur verschiedene benzoide aromatische Systeme umgesetzt werden, wohingegen die Verwendung von Heterocyclen bei der C‐H‐aktivierenden elektrochemischen Kreuzkupplung nicht erfolgreich war. In diesem Fall bieten reagens‐ und metallfreie Bedingungen einen nachhaltigen elektrochemischen Weg und damit einen vielversprechenden präparativen Zugang zu einer Vielfalt an Bi‐ und Terarylverbindungen auf Basis von Thiophenen und Phenolen. Die Reaktion ist mit einer ungeteilten Zelle einfach durchführbar, skalierbar und inhärent sicher. Die erhaltenen Produkte finden Anwendung im Bereich elektronischer Materialien oder als [OSO]2−‐Pincerliganden.
Direct Synthesis of Amides by Dehydrogenative Coupling of Amines with either Alcohols or Esters: Manganese Pincer Complex as Catalyst
Authors: Kumar Amit , Espinosa‐Jalapa Noel Angel , Leitus Gregory , Diskin‐Posner Yael , Avram Liat , Milstein David 
Published: October 2017

AbstractThe first example of base‐metal‐catalysed synthesis of amides from the coupling of primary amines with either alcohols or esters is reported. The reactions are catalysed by a new manganese pincer complex and generate hydrogen gas as the sole byproduct, thus making the overall process atom‐economical and sustainable.
Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Authors: Schwertz Geoffrey , Frei Michelle S. , Witschel Matthias C. , Rottmann Matthias , Leartsakulpanich Ubolsree , Chitnumsub Penchit , Jaruwat Aritsara , Ittarat Wanwipa , Schäfer Anja , Aponte Raphael A. , Trapp Nils , Mark Kerstin , Chaiyen Pimchai , Diederich François 
Published: October 2017

AbstractMalaria remains a major threat to mankind due to the perpetual emergence of resistance against marketed drugs. Twenty‐one pyrazolopyran‐based inhibitors bearing terminal biphenyl, aryl sulfonamide, or aryl sulfone motifs were synthesized and tested towards serine hydroxymethyltransferase (SHMT), a key enzyme of the folate cycle. The best ligands inhibited Plasmodium falciparum (Pf) and Arabidopsis thaliana (At) SHMT in target, as well as PfNF54 strains in cell‐based assays in the low nanomolar range (18–56 nm). Seven co‐crystal structures with P. vivax (Pv) SHMT were solved at 2.2–2.6 Å resolution. We observed an unprecedented influence of the torsion angle of ortho‐substituted biphenyl moieties on cell‐based efficacy. The peculiar lipophilic character of the sulfonyl moiety was highlighted in the complexes with aryl sulfonamide analogues, which bind in their preferred staggered orientation. The results are discussed within the context of conformational preferences in the ligands.
Level Alignment as Descriptor for Semiconductor/Catalyst Systems in Water Splitting: The Case of Hematite/Cobalt Hexacyanoferrate Photoanodes
Authors: Hegner Franziska Simone , Cardenas‐Morcoso Drialys , Giménez Sixto , López Núria , Galan‐Mascaros Jose Ramon 
Published: October 2017

AbstractThe realization of artificial photosynthesis may depend on the efficient integration of photoactive semiconductors and catalysts to promote photoelectrochemical water splitting. Many efforts are currently devoted to the processing of multicomponent anodes and cathodes in the search for appropriate synergy between light absorbers and active catalysts. No single material appears to combine both features. Many experimental parameters are key to achieve the needed synergy between both systems, without clear protocols for success. Herein, we show how computational chemistry can shed some light on this cumbersome problem. DFT calculations are useful to predict adequate energy‐level alignment for thermodynamically favored hole transfer. As proof of concept, we experimentally confirmed the limited performance enhancement in hematite photoanodes decorated with cobalt hexacyanoferrate as a competent water‐oxidation catalyst. Computational methods describe the misalignment of their energy levels, which is the origin of this mismatch. Photoelectrochemical studies indicate that the catalyst exclusively shifts the hematite surface state to lower potentials, which therefore reduces the onset for water oxidation. Although kinetics will still depend on interface architecture, our simple theoretical approach may identify and predict plausible semiconductor/catalyst combinations, which will speed up experimental work towards promising photoelectrocatalytic systems.
Estimating the sediment trap efficiency of intermittently dry reservoirs: lessons from the Kruger National Park, South Africa
Authors: Reinwarth Bastian , Riddell Edward S. , Glotzbach Christoph , Baade Jussi 
Published: October 2017

AbstractThe assessment of sediment yield from reservoir siltation requires knowledge of the reservoir's sediment trap efficiency (TE). Widely used approaches for the estimation of the long‐term mean TE rely on the ratio of the reservoir's storage capacity (C) to its catchment size (A) or mean annual inflow (I). These approaches have been developed from a limited number of reservoirs (N ≤ 40), most of them located in temperate climate regions. Their general applicability to reservoirs receiving highly variable runoff such as in semi‐arid areas has been questioned. Here, we examine the effect of ephemeral inflow on the TE of 10 small (≤ 280 × 103 m3), intermittently dry reservoirs located in the Kruger National Park. Fieldwork was conducted to determine the storage capacity of the reservoir basins. The frequency and magnitude of spillage events was simulated with the daily time step Pitman rainfall–runoff model. Different runoff scenarios were established to cope with uncertainties arising from the lack of runoff records and imperfect input data. Scenarios for the relationship between water and sediment discharge were created based on sediment rating curves. Taking into account uncertainties in hydrological modelling, uncertainties of mean TE estimates, calculated from all scenarios (N = 9), are moderate, ranging from ±6 to ±11% at the 95% confidence level. By comparison, estimating TE from the storage capacity to catchment area (C/A) ratio induces high uncertainty (ranges of 35 to 65%), but this uncertainty can be confined (15 to 33%) when the latter approach is combined with hydrological modelling. Established methods relying on the storage capacity to mean annual inflow (C/I) ratio most probably lead to an overestimation of the TE for the investigated reservoirs. The approach presented here may be used instead to estimate the TE of small, intermittently dry reservoirs in semi‐arid climate regions. Copyright © 2017 John Wiley & Sons, Ltd.
Dynamics and patterns of land levelling for agricultural reclamation of erosional badlands in Chambal Valley (Madhya Pradesh, India)
Authors: Marzolff Irene , Pani Padmini 
Published: October 2017

AbstractGully and badland erosion constitute important land‐degradation processes with severe on‐site and off‐site effects above all in sedimentary deposits and alluvial soils of the arid and semi‐arid regions. Agricultural use of the affected land is impeded both by the irreversible loss of topsoil and the morphological dissection of the terrain. In various badland regions around the world, a solution to the latter problem is attempted by infilling of gullies and levelling of badland topography in order restore a morphology suitable for agricultural cultivation.Gully and badland levelling for agricultural reclamation has been conducted for decades in the large ravine lands of India. This study aims at analysing the distribution and dynamics of land levelling within the Chambal badlands in Morena district, Madhya Pradesh, between 1971 and 2015. Using high to medium resolution satellite images from the Corona, Landsat, Aster and RapidEye missions and a multi‐temporal classification approach, we have mapped and quantified areas that were newly levelled within eight observation periods. We analysed the spatial relation of levelled land to several physical and socio‐economic factors that potentially influence the choice of reclamation site by employing geographic information system (GIS) analysis methods and results from focus‐group discussions in selected villages.Results show that nearly 38 km2 or 23% of the badlands in the study area have been levelled within 45 years. The levelling rate generally increases during the observation period, but the annual variability is high. We have found spatial relationships to badland morphology, vicinity of existing cropland and proximity to villages and drainage lines. From a socio‐economic point of view, availability of financial and technical means, access rights to the badland and ownership issues play an important role. Considering studies on soil degradation caused by levelling of badlands in other regions, the sustainability of the newly reclaimed fields in the Chambal badlands is questionable. Copyright © 2017 John Wiley & Sons, Ltd.
Collaborative and multilevel optimizations of a hybrid railway power substation
Authors: Brisset Stephane , Ogier Maxime 
Published: October 2017

AbstractThree approaches are proposed for the design of a hybrid railway power substation taking into account the control of the storage system over 1 year. The first one is based on a piecewise linearization of the cost function and solved with linear programming. The others decompose the whole problem in 2 levels with lower dimensionality. Collaborative optimization solves it with a double‐loop scheme while Benders decomposition allows a sequential resolution. This last gives the same solution as linear programming in about 5 times more computing time and can be used with a nonlinear cost function.
Robust integrated shift register circuit over clock noises for in‐cell touch applications
Authors: Seo Jeongrim , Nam Hyoungsik 
Published: October 2017

AbstractThis paper proposes an integrated shift register circuit for an in‐cell touch panel that is robust over clock noises. It is composed of 10 thin film transistors and 1 capacitor, and the time division driving method is adopted to prevent the negative effect of display signals on the touch sensing. Two pre‐charging nodes are employed for reducing the uniformity degradation of gate pulses over time. In particular, the proposed circuit connects a drain of the first pre‐charging node's pull‐up thin film transistor (TFT) to the positive supply voltage instead of clock signals. This facilitates to lower coupling noises as well as to clock power consumption. The simulation program with an integrated circuit emphasis is conducted for the proposed circuit with low temperature poly‐silicon TFTs. The positive threshold voltage that shifts up to 12 V at the first pre‐charging pull‐up TFT can be compensated for without the uniformity degradation of gate pulses. For a 60‐Hz full‐HD display with a 120‐Hz reporting rate of touches, the clock power consumption of the proposed gate driver circuit is estimated as 7.13 mW with 160 stages of shift registers. In addition, the noise level at the first pre‐charging node is lowered to −28.95 dB compared with 2.37 dB of the previous circuit.
Personalized diet and exercise recommendations in early rheumatoid arthritis: A feasibility trial
Authors: Garner Stephanie , Fenton Tanis , Martin Liam , Creaser Caitlin , Johns Carolyn , Barnabe Cheryl 
Published: October 2017

AbstractBackgroundPhysical activity and diet have a positive influence on disease activity and cardiovascular risk in patients with rheumatoid arthritis (RA).ObjectiveWe tested the feasibility and effect of a brief individualized counselling intervention on physical activity levels and fitness, and dietary intake, compared with standard of care.MethodsThirty patients with inflammatory arthritis (<1 year duration) were assigned to standard of care or the intervention, which consisted of individualized visits with a dietetic intern and physiotherapist at two time points, to review age‐specific strategies on diet and exercise. Primary outcomes included anthropometric measurements (height, weight, waist and hip circumference), nutritional intake, physical activity (pedometer steps) and physical fitness. Disease activity measures and biochemical testing (blood pressure measurement, inflammatory markers, cholesterol profile and random glucose) were collected. The changes in these outcomes from baseline to 6 months were assessed using paired t‐tests between groups.ResultsThirteen patients in the intervention group and 10 in the control group completed the study. There were non‐significant trends in improvements in physical activity, low‐density lipoprotein cholesterol level and nutritional intake (vitamin C, iron, fibre, vitamin A and folate) in the intervention group.ConclusionsPoor enrolment and high dropout rates in this short‐term study highlighted the difficulty of behavioural change. Those continuing in the study and who received the intervention demonstrated a non‐significantly improved activity level and nutritional intake that may benefit long‐term outcomes.
Effects of seasonal changes in cotton plants on the evolution of resistance to pyramided cotton producing the Bt toxins Cry1Ac and Cry1F in Helicoverpa zea
Authors: Carrière Yves , Degain Ben A , Unnithan Gopalan C , Harpold Virginia S , Heuberger Shannon , Li Xianchun , Tabashnik Bruce E 
Published: October 2017

AbstractBACKGROUNDIn pests with inherently low susceptibility to Bacillus thuringiensis (Bt) toxins, seasonal declines in the concentration of Bt toxins in transgenic crops could accelerate evolution of resistance by increasing the dominance of resistance. Here, we evaluated Helicoverpa zea survival on young and old cotton plants that produced the Bt toxins Cry1Ac and Cry1F or did not produce Bt toxins.RESULTSUsing a strain selected for resistance to Cry1Ac in the laboratory, its parent strain that was not selected in the laboratory, and their F1 progeny, we showed that resistance to Cry1Ac + Cry1F cotton was partially dominant on young and old plants. On Cry1Ac + Cry1F cotton, redundant killing was incomplete on young plants but nearly complete on old plants. No significant fitness costs on non‐Bt cotton occurred on young plants, but large recessive costs affected survival on old plants. Simulation models incorporating the empirical data showed that the seasonal changes in fitness could delay resistance to Cry1Ac + Cry1F cotton by inducing low equilibrium frequencies of resistance alleles when refuges are sufficiently large.CONCLUSIONOur results suggest that including effects of seasonal changes in fitness of pests on Bt crops and refuge plants can enhance resistance risk assessment and resistance management. © 2017 Society of Chemical Industry
Sample Errors Call Into Question Conclusions Regarding Same-Sex Married Parents: A Comment on “Family Structure and Child Health: Does the Sex Composition of Parents Matter?”
Authors: Paul Sullins D. 
Published: October 2017

Abstract
Because of classification errors reported by the National Center for Health Statistics, an estimated 42 % of the same-sex married partners in the sample for this study are misclassified different-sex married partners, thus calling into question findings regarding same-sex married parents. Including biological parentage as a control variable suppresses same-sex/different-sex differences, thus obscuring the data error. Parentage is not appropriate as a control because it correlates nearly perfectly (+.97, gamma) with the same-sex/different-sex distinction and is invariant for the category of joint biological parents.
Canada’s Violation of International Law during the 2014–16 Ebola Outbreak
Authors: TEJPAR ALI , HOFFMAN STEVEN J. 
Published: October 2017

AbstractThe devastating 2014–16 West African Ebola outbreak challenged the authority of the World Health Organization (WHO) to enforce the legally bindingInternational Health Regulations(IHR) that govern pandemic responses. Under Article 43 of theIHR, states parties can only implement additional health measures beyond the WHO’s recommendations if public health rationales or scientific evidence justify such measures. Yet at least fifty-eight states parties enacted additional health measures, mainly travel restrictions to or from Ebola-affected countries. This article explains why Canada’s visa restrictions targeting Ebola-affected countries failed to meet theIHR’s requirements and therefore violated international law. Specifically, Canada’s response went against public health authorities’ consensus views, the best available scientific evidence on disease transmission, and the WHO’s recommendations. In light of its traditional role as a global health champion, Canada must lead by example and abide by international law, including theIHR, instead of picking and choosing which rules to follow and thereby encouraging other countries to do the same.
Gravity-driven flow in a horizontal annulus
Authors: Horsley Marcus C. , Woods Andrew W. 
Published: October 2017

A theory for the low-Reynolds-number gravity-driven flow of two Newtonian fluids separated by a density interface in a two-dimensional annular geometry is developed. Solutions for the governing time-dependent equations of motion, in the limit that the radius of the inner and outer boundaries are similar, and in the case that the interface is initially inclined to the horizontal, are analysed numerically. We focus on the case in which the fluid is arranged symmetrically about a vertical line through the centre of the annulus. These solutions are successfully compared with asymptotic solutions in the limits that (i) a thin film of dense fluid drains down the outer boundary of the annulus, and (ii) a thin layer of less dense fluid is squeezed out of the narrow gap between the base of the inner annulus and dense fluid. Application of the results to the problem of mud displacement by cement in a horizontal well is briefly discussed.
Mixed-Form Equations for Stiffened Orthotropic Shells of Arbitrary Canonical Shape with Static Loading
Authors: Karpov V. V. , Semenov A. A. 
Published: October 2017

AbstractThin-walled orthotropic shells of arbitrary form reinforced from the concave side by a cross-sectional stiffening system oriented in parallel to coordinate lines are examined. Geometrical nonlinearity and transverse shears are taken into account, but it is presumed that a shell is shallow.Mixed-form equations are more simplified equations of a shell theory as compared to displacement equations, but they are more convenient for some types of fixing of the shell edges (for example, for movable pin fixing).Forces are expressed using a stress function in a middle surface of a shell in such a way that the first two equilibrium equations are satisfied identically. Shell deformation is also expressed using this function.The third equation of strain compatibility is used to form one of the mixed-form equations. Curvature and torsion change functions for this equation are written in the same way as for the Kirchhoff–Love model, though also taking into account transverse shears.
Toxic splash: Russian rocket stages dropped in Arctic waters raise health, environmental and legal concerns
Authors: Byers Michael , Byers Cameron 
Published: October 2017

ABSTRACTRussia has dropped rocket stages fuelled with unsymmetrical dimethylhydrazine (UDMH) into the Barents Sea and the North Water Polynya—areas of considerable ecological importance—on ten occasions since 2002. The stages come from SS-19 intercontinental missiles that have been re-purposed for launching satellites. UDMH is a highly toxic chemical that has caused widespread health and environmental damage in Kazakhstan and Russia as a result of its extensive use there as a rocket fuel. Not all of the fuel on-board is consumed during a launch and the residual fuel tends to escape the incoming stages and form aerosol clouds that drift over large areas. This dropping of the rocket stages is of considerable concern to the Inuit of Canada and Greenland, who only learned about the practice in 2016. It is also a violation of several treaties as well as customary international law. At least two more launches of UDMH-fuelled rockets on the same trajectory are currently planned—even though alternative non-toxic rocket systems exist.
Self-directed use of mobile devices for language learning beyond the classroom
Authors: Lai Chun , Zheng Dongping 
Published: October 2017

AbstractThe essence of mobile learning is learners’ agentic use of mobile devices to create learning experiences across time and space. Thus, understanding learners’ perceptions and preferred use of mobile devices for learning are critical to realizing the educational potentials of mobile learning. This study explored language learners’ self-directed use of mobile devices beyond the classroom through a survey and interview study with foreign language learners at a university in Hong Kong. A total of 256 learners were surveyed and 18 were interviewed to understand the nature of mobile language learning experiences that these learners engaged in autonomously beyond the classroom. Exploratory factor analysis yielded three dimensions of self-directed out-of-class mobile learning experience. Among the three dimensions, learners were found to use mobile devices more for facilitating the personalization of learning than for enhancing the authenticity and social connection in learning. This study further revealed that selective use was an outcome of the interaction between learner-defined affordances of the devices, their culturally informed and habitual use of the devices, their perceptions of the nature of the learning tasks, and the tempo-spatial circumstances of task implementation. The findings suggest that these factors need to be considered when designing mobile learning activities and educational interventions that promote mobile learning beyond the classroom.