bluuebunny/crossref_metadata_2025_split huggingface dataset:
Percepção da população acerca das soluções propostas pelo Estado para conflitos socioambientais de minas subterrâneas de carvão em Criciúma - SC
Authors: Corrêa Rosany , Ruiz Mauro Silva , Kniess Cláudia Terezinha , Gallardo Amarilis Lucia Casteli Figueiredo , Ramos Heidy Rodriguez 
Published: July 2017

Conflicts are inherent to the human being and when they involve environmental issues multiple stakeholders with conflicting but legitimate interests are involved. This article sought to answer: What is the perception of surface owners as to the actions taken by the state in mediating conflicts of negotiations related to environmental damage caused by surface subsidence of old coal mines? The methodological procedures adopted to answer this question involved bibliographical and documentary research and interviews with actors directly or indirectly involved in the conflicts. Today's conflicts stem from the subsidence of underground mines due to the expansion of the city on the mined areas in the past. As buildings and streets spreaded over the land surface, collapses of old mines started occcurring, opposing the interests of landowners and companies holding mining rights, this way generating conflicts. In conclusion, it was observed that, depending on the interests at stake and the bargaining power of the actors, these conflicts have been resolved via lawsuits in the courts or through negotiation between the two major parties involved.
Comparaison de deux stratégies pédagogiques dans l’apprentissage du toucher thérapeutique
Authors: Choplin Arnaud , Laporte Julie 
Published: July 2017

L’objectif de cet article est de montrer que la performance pédagogique est à l’origine de modifications des pratiques professionnelles massothérapiques dans la prise en charge de la douleur fibromyalgique. Deux méthodologies quantitatives retracent le versant pédagogique. D’une part, un questionnaire montre de façon statistiquement significatif une déficience d’habiletés lors du démarrage palpatoire et lors de la palpation d’un élément précis et profond ; d’autre part, une étude expérimentale montre qu’une pédagogie par imitation modélisation-interactive est plus performante qu’un apprentissage behavioriste sur l’appropriation d’habiletés palpatoires. Un tel résultat est significatif (p < 1 %) dans l’acquisition de cinq habiletés sur six, et ce, indépendamment du genre et des connaissances théoriques anatomiques préalables. En conclusion, cette pédagogique est contributive à la performance d’un massage, base du traitement non médicamenteux de la douleur chronique de patients fibromyalgiques.
Birth, life, and demise of the Andean–syn‐collisional Gissar arc: Late Paleozoic tectono‐magmatic‐metamorphic evolution of the southwestern Tian Shan, Tajikistan
Authors: Worthington James R. , Kapp Paul , Minaev Vladislav , Chapman James B. , Mazdab Frank K. , Ducea Mihai N. , Oimahmadov Ilhomjon , Gadoev Mustafo 
Published: July 2017

AbstractThe amalgamation of the Central Asian Orogenic Belt in the southwestern Tian Shan in Tajikistan is represented by tectono‐magmatic‐metamorphic processes that accompanied late Paleozoic ocean closure and collision between the Karakum‐Tarim and Kazakh‐Kyrgyz terranes. Integrated U‐Pb geochronology, thermobarometry, pseudosection modeling, and Hf geochemistry constrain the timing and petro‐tectonic nature of these processes. The Gissar batholith and the Garm massif represent an eastward, along‐strike increase in paleodepth from upper‐batholith (~21–7 km) to arc‐root (~36–19 km) levels of the Andean–syn‐collisional Gissar arc, which developed from ~323–288 Ma in two stages: (i) Andean, I‐type granitoid magmatism from ~323–306 Ma due to northward subduction of the Gissar back‐arc ocean basin under the Gissar microcontinent, which was immediately followed by (ii) syn‐collisional, I‐S‐type granitoid magmatism in the Gissar batholith and the Garm massif from ~304–288 Ma due to northward subduction/underthrusting of Karakum marginal‐continental crust under the Gissar microcontinent. A rapid isotopic pull‐up from ~288–286 Ma signals the onset of juvenile, alkaline‐syenitic, post‐collisional magmatism by ~280 Ma, which was driven by delamination of the Gissar arclogite root and consequent convective asthenospheric upwelling. Whereas M–HT/LP prograde metamorphism in the Garm massif (650–750°C/6–7 kbar) from ~310–288 Ma was associated with subduction‐magma inundation and crustal thickening, HT/LP heating and decompression to peak‐metamorphic temperatures (~800–820°C/6–4 kbar) at ~288 ± 6 Ma was driven by the transmission of a post‐collisional, mantle‐derived heat wave through the Garm‐massif crust.
Quantifying the heterogeneity of the tectonic stress field using borehole data
Authors: Schoenball Martin , Davatzes Nicholas C. 
Published: July 2017

AbstractThe heterogeneity of the tectonic stress field is a fundamental property which influences earthquake dynamics and subsurface engineering. Self‐similar scaling of stress heterogeneities is frequently assumed to explain characteristics of earthquakes such as the magnitude‐frequency relation. However, observational evidence for such scaling of the stress field heterogeneity is scarce. We analyze the local stress orientations using image logs of two closely spaced boreholes in the Coso Geothermal Field with subvertical and deviated trajectories, respectively, each spanning about 2 km in depth. Both the mean and the standard deviation of stress orientation indicators (borehole breakouts, drilling‐induced fractures, and petal‐centerline fractures) determined from each borehole agree to the limit of the resolution of our method although measurements at specific depths may not. We find that the standard deviation in these boreholes strongly depends on the interval length analyzed, generally increasing up to a wellbore log length of about 600 m and constant for longer intervals. We find the same behavior in global data from the World Stress Map. This suggests that the standard deviation of stress indicators characterizes the heterogeneity of the tectonic stress field rather than the quality of the stress measurement. A large standard deviation of a stress measurement might be an expression of strong crustal heterogeneity rather than of an unreliable stress determination. Robust characterization of stress heterogeneity requires logs that sample stress indicators along a representative sample volume of at least 1 km.
Snowmelt onset hinders bromine monoxide heterogeneous recycling in the Arctic
Authors: Burd Justine A. , Peterson Peter K. , Nghiem Son V. , Perovich Don K. , Simpson William R. 
Published: July 2017

AbstractReactive bromine radicals (bromine atoms, Br, and bromine monoxide, BrO) deplete ozone and alter tropospheric oxidation chemistry during the Arctic springtime (February–June). As spring transitions to summer (May–June) and snow begins to melt, reactive bromine events cease and BrO becomes low in summer. In this study, we explore the relationship between the end of the reactive bromine season and snowmelt timing. BrO was measured by Multi‐AXis Differential Optical Absorption Spectrometer at Utqiaġvik (Barrow), AK, from 2012 to 2016 and on drifting buoys deployed in Arctic sea ice from 2011 to 2016, a total of 13 site and year combinations. The BrO seasonal end date (SED) was objectively determined and was compared to surface‐air‐temperature‐derived melt onset date (MOD). The SED was highly correlated with the MOD (N = 13, R2 = 0.983, RMS = 1.9 days), and BrO is only observed at subfreezing temperatures. In subsets of these sites and years where ancillary data were available, we observed that snowpack depth reduced and rain precipitation occurred within a few days of the SED. These data are consistent with snowpack melting hindering BrO recycling, which is necessary to maintain enhanced BrO concentrations. With a projected warmer Arctic, a shift to earlier snowmelt seasons could alter the timing and role of halogen chemical reactions in the Arctic with impacts on ozone depletion and mercury deposition.
Arctic sea ice response to the eruptions of Agung, El Chichón, and Pinatubo
Authors: Gagné M.‐È. , Kirchmeier‐Young M. C. , Gillett N. P. , Fyfe J. C. 
Published: July 2017

AbstractUsing a large initial condition ensemble of climate model simulations, we examine the impact of volcanic activity on Arctic sea ice cover from 1960 to 2005, a period that includes three very large tropical eruptions. Ensemble averaging across simulations with natural (volcanic and solar) forcings alone reduces noise due to internal variability to show a decade of increased Arctic sea extent (of up to half a million square kilometers) following each of the Mount Agung (1963), Mount El Chichón (1982), and Mount Pinatubo (1991) eruptions. A similar impact is seen when averaging over a large ensemble of simulations with natural and all‐known anthropogenic forcings. We show that the volcanic response in sea ice cover is sensitive to preeruption temperature, with warmer conditions before an eruption being associated with a larger than average response. Finally, a detection and attribution analysis using second‐generation Canadian Earth System Model (CanESM2) did not identify a significant response in the observations, while finding no evidence of inconsistency between observations and CanESM2 since regression coefficients were consistent with unity. A similar detection and attribution analysis using the somewhat stronger volcanic response from the simulations in the average of the CMIP5 models did identify a detectable natural forcing response in four observational sea ice extent data sets.
Vertically Aligned Graphene Nanosheet Arrays: Synthesis, Properties and Applications in Electrochemical Energy Conversion and Storage
Authors: Zhang Zhenyu , Lee Chun‐Sing , Zhang Wenjun 
Published: July 2017

AbstractIn the pursuit of better electrode kinetics and mass transportation for electrochemical energy applications, 3D graphene‐based electrodes have been receiving increasing research interest. Distinguished from other kinds of 3D graphene structures, the well‐developed, vertically aligned graphene nanosheet arrays (VAGNAs) could be grown on a variety of substrates by plasma‐enhanced chemical vapor deposition (PECVD), forming a 3D interconnected structure with intimate contact with substrates and largely exposed edges, and easily accessible open surfaces of the graphene nanosheets. Ascribing to the combined superior inherent properties of graphene and the special structure configuration, e.g., large surface area, excellent electron transfer capability, outstanding mechanical strength, great chemical and thermal stabilities, and enhanced electrochemical activity, VAGNAs have demonstrated promising applications in supercapacitors, batteries, and fuel cell catalysts. This progress report provides a brief review on the nucleation and growth of VAGNAs, their growth mechanism and properties, and highlights the recent important progress in their electrochemical energy conversion and storage applications, in the views of their pros and cons in comparison with other 3D graphene‐based structures. Challenges and perspectives for future advance are discussed in the end.
Burn‐in Free Nonfullerene‐Based Organic Solar Cells
Authors: Gasparini Nicola , Salvador Michael , Strohm Sebastian , Heumueller Thomas , Levchuk Ievgen , Wadsworth Andrew , Bannock James H. , de Mello John C. , Egelhaaf Hans‐Joachim , Baran Derya , McCulloch Iain , Brabec Christoph J. 
Published: July 2017

AbstractOrganic solar cells that are free of burn‐in, the commonly observed rapid performance loss under light, are presented. The solar cells are based on poly(3‐hexylthiophene) (P3HT) with varying molecular weights and a nonfullerene acceptor (rhodanine‐benzothiadiazole‐coupled indacenodithiophene, IDTBR) and are fabricated in air. P3HT:IDTBR solar cells light‐soaked over the course of 2000 h lose about 5% of power conversion efficiency (PCE), in stark contrast to [6,6]‐Phenyl C61 butyric acid methyl ester (PCBM)‐based solar cells whose PCE shows a burn‐in that extends over several hundreds of hours and levels off at a loss of ≈34%. Replacing PCBM with IDTBR prevents short‐circuit current losses due to fullerene dimerization and inhibits disorder‐induced open‐circuit voltage losses, indicating a very robust device operation that is insensitive to defect states. Small losses in fill factor over time are proposed to originate from polymer or interface defects. Finally, the combination of enhanced efficiency and stability in P3HT:IDTBR increases the lifetime energy yield by more than a factor of 10 when compared with the same type of devices using a fullerene‐based acceptor instead.
Dimensional Confinement in Carbon‐based Structures – From 3D to 1D
Authors: Richter Nils , Chen Zongping , Braatz Marie‐Luise , Musseau Fabienne , Weber Nils‐Eike , Narita Akimitsu , Müllen Klaus , Kläui Mathias 
Published: July 2017

AbstractWe present an overview of charge transport in selected one‐, two‐ and three‐dimensional carbon‐based materials with exciting properties. The systems are atomically defined bottom‐up synthesized graphene nanoribbons, doped graphene and turbostratic graphene micro‐disks, where up to 100 graphene layers are rotationally stacked. For turbostratic graphene we show how this system lends itself to spintronic applications. This follows from the inner graphene layers where charge carriers are protected and thus highly mobile. Doped graphene and graphene nanoribbons offer the possibility to tailor the electronic properties of graphene either by introducing heteroatoms or by confining the system geometrically. Herein, we describe the most recent developments of charge transports in these carbon systems.
Redox‐Driven Migration of Copper Ions in the Cu‐CHA Zeolite as Shown by the In Situ PXRD/XANES Technique
Authors: Andersen Casper Welzel , Borfecchia Elisa , Bremholm Martin , Jørgensen Mads Ry Vogel , Vennestrøm Peter Nicolai Ravnborg , Lamberti Carlo , Lundegaard Lars Fahl , Iversen Bo Brummerstedt 
Published: July 2017

AbstractUsing quasi‐simultaneous in situ PXRD and XANES, the direct correlation between the oxidation state of Cu ions in the commercially relevant deNOx NH3‐SCR zeolite catalyst Cu‐CHA and the Cu ion migration in the zeolitic pores was revealed during catalytic activation experiments. A comparison with recent reports further reveals the high sensitivity of the redox‐active centers concerning heating rates, temperature, and gas environment during catalytic activation. Previously, Cu+ was confirmed present only in the 6R. Results verify a novel 8R monovalent Cu site, an eventually large Cu+ presence upon heating to high temperatures in oxidative conditions, and demonstrate the unique potential in combining in situ PXRD and XANES techniques, with which both oxidation state and structural location of the redox‐active centers in the zeolite framework could be tracked.
Phosphorene Co‐catalyst Advancing Highly Efficient Visible‐Light Photocatalytic Hydrogen Production
Authors: Ran Jingrun , Zhu Bicheng , Qiao Shi‐Zhang 
Published: July 2017

AbstractTransitional metals are widely used as co‐catalysts boosting photocatalytic H2 production. However, metal‐based co‐catalysts suffer from high cost, limited abundance and detrimental environment impact. To date, metal‐free co‐catalyst is rarely reported. Here we for the first time utilized density functional calculations to guide the application of phosphorene as a high‐efficiency metal‐free co‐catalyst for CdS, Zn0.8Cd0.2S or ZnS. Particularly, phosphorene modified CdS shows a high apparent quantum yield of 34.7 % at 420 nm. This outstanding activity arises from the strong electronic coupling between phosphorene and CdS, as well as the favorable band structure, high charge mobility and massive active sites of phosphorene, supported by computations and advanced characterizations, for example, synchrotron‐based X‐ray absorption near edge spectroscopy. This work brings new opportunities to prepare highly‐active, cheap and green photocatalysts.
Enantioselective Oxidative (4+3) Cycloadditions between Allenamides and Furans through Bifunctional Hydrogen‐Bonding/Ion‐Pairing Interactions
Authors: Villar Laura , Uria Uxue , Martínez Jose I. , Prieto Liher , Reyes Efraim , Carrillo Luisa , Vicario Jose L. 
Published: July 2017

AbstractBINOL‐based N‐trifluoromethanesulfonyl phosphoramides catalyze the enantioselective (4+3) cycloaddition between furans and oxyallyl cations, the latter being generated in situ by oxidation of allenamides. The chiral organic phosphoramide counteranion is proposed to engage in the activation of the oxyallyl cation intermediate through cooperative hydrogen‐bonding and ion‐pairing interactions, enabling an efficient chirality transfer that provide the final adducts with high diastereo‐ and enantioselectivities. Remarkably, the reaction shows a wide substrate scope that includes a variety of substituted allenamides and furans.
Hydroformylation of Alkenes in a Planetary Ball Mill: From Additive‐Controlled Reactivity to Supramolecular Control of Regioselectivity
Authors: Cousin Kévin , Menuel Stéphane , Monflier Eric , Hapiot Frédéric 
Published: July 2017

AbstractThe Rh‐catalyzed hydroformylation of aromatic‐substituted alkenes is performed in a planetary ball mill under CO/H2 pressure. The dispersion of the substrate molecules and the Rh‐catalyst into the grinding jar is ensured by saccharides: methyl‐α‐d‐glucopyranoside, acyclic dextrins, or cyclodextrins (CDs, cyclic oligosaccharides). The reaction affords the exclusive formation of aldehydes whatever the saccharide. Acyclic saccharides disperse the components within the solid mixture leading to high conversions of alkenes. However, they showed typical selectivity for α‐aldehyde products. If CDs are the dispersing additive, the steric hindrance exerted by the CDs on the primary coordination sphere of the metal modifies the selectivity so that the β‐aldehydes were also formed in non‐negligible proportions. Such through‐space control via hydrophobic effects over reactivity and regioselectivity reveals the potential of such solventless process for catalysis in solid state.
Nuclear Spin Isomers: Engineering a Et4N[DyPc2] Spin Qudit
Authors: Moreno‐Pineda Eufemio , Damjanović Marko , Fuhr Olaf , Wernsdorfer Wolfgang , Ruben Mario 
Published: July 2017

AbstractTwo dysprosium isotopic isomers were synthesized: Et4N[163DyPc2] (1) with I=5/2 and Et4N[164DyPc2] (2) with I=0 (where Pc=phthalocyaninato). Both isotopologues are single‐molecule magnets (SMMs); however, their relaxation times as well as their magnetic hystereses differ considerably. Quantum tunneling of the magnetization (QTM) at the energy level crossings is found for both systems via ac‐susceptibility and μ‐SQUID measurements. μ‐SQUID studies of 1(I=5/2) reveal several nuclear‐spin‐driven QTM events; hence determination of the hyperfine coupling and the nuclear quadrupole splitting is possible. Compound 2(I=0) shows only strongly reduced QTM at zero magnetic field. 1(I=5/2) could be used as a multilevel nuclear spin qubit, namely qudit (d=6), for quantum information processing (QIP) schemes and provides an example of novel coordination‐chemistry‐discriminating nuclear spin isotopes. Our results show that the nuclear spin of the lanthanide must be included in the design principles of molecular qubits and SMMs.
Highly Bent 1,3‐Digerma‐2‐silaallene
Authors: Sugahara Tomohiro , Sasamori Takahiro , Tokitoh Norihiro 
Published: July 2017

AbstractA 1,3‐digerma‐2‐silacyclopenta‐1,2‐diene, that is, a 1,3‐digerma‐2‐silaallene incorporated into a five‐membered ring system, was synthesized and obtained as a stable orange solid. Owing to incorporation into a cyclic framework, the 1,3‐digerma‐2‐silaallene moiety is highly bent, exhibiting a Si0 character for the central silicon moiety.
A Stimuli‐Responsive Zirconium Metal–Organic Framework Based on Supermolecular Design
Authors: Krause Simon , Bon Volodymyr , Stoeck Ulrich , Senkovska Irena , Többens Daniel M. , Wallacher Dirk , Kaskel Stefan 
Published: July 2017

AbstractA flexible, yet very stable metal–organic framework (DUT‐98, Zr6O4(OH)4(CPCDC)4(H2O)4, CPCDC=9‐(4‐carboxyphenyl)‐9H‐carbazole‐3,6‐dicarboxylate) was synthesized using a rational supermolecular building block approach based on molecular modelling of metal–organic chains and subsequent virtual interlinking into a 3D MOF. Structural characterization via synchrotron single‐crystal X‐ray diffraction (SCXRD) revealed the one‐dimensional pore architecture of DUT‐98, envisioned in silico. After supercritical solvent extraction, distinctive responses towards various gases stimulated reversible structural transformations, as detected using coupled synchrotron diffraction and physisorption techniques. DUT‐98 shows a surprisingly low water uptake but a high selectivity for pore opening towards specific gases and vapors (N2, CO2, n‐butane, alcohols) at characteristic pressure resulting in multiple steps in the adsorption isotherm and hysteretic behavior upon desorption.
Cyanide‐Free and Broadly Applicable Enantioselective Synthetic Platform for Chiral Nitriles through a Biocatalytic Approach
Authors: Betke Tobias , Rommelmann Philipp , Oike Keiko , Asano Yasuhisa , Gröger Harald 
Published: July 2017

AbstractA cyanide‐free platform technology for the synthesis of chiral nitriles by biocatalytic enantioselective dehydration of a wide range of aldoximes is reported. The nitriles were obtained with high enantiomeric excess of >90 % ee (and up to 99 % ee) in many cases, and a “privileged substrate structure” with respect to high enantioselectivity was identified. Furthermore, a surprising phenomenon was observed for the enantiospecificity that is usually not observed in enzyme catalysis. Depending on whether the E or Z isomer of the racemic aldoxime substrate was employed, one or the other enantiomer of the corresponding nitrile was formed preferentially with the same enzyme.
Resonant Formation of Strand Breaks in Sensitized Oligonucleotides Induced by Low‐Energy Electrons (0.5–9 eV)
Authors: Schürmann Robin , Tsering Thupten , Tanzer Katrin , Denifl Stephan , Kumar S. V. K. , Bald Ilko 
Published: July 2017

AbstractHalogenated nucleobases are used as radiosensitizers in cancer radiation therapy, enhancing the reactivity of DNA to secondary low‐energy electrons (LEEs). LEEs induce DNA strand breaks at specific energies (resonances) by dissociative electron attachment (DEA). Although halogenated nucleobases show intense DEA resonances at various electron energies in the gas phase, it is inherently difficult to investigate the influence of halogenated nucleobases on the actual DNA strand breakage over the broad range of electron energies at which DEA can take place (<12 eV). By using DNA origami nanostructures, we determined the energy dependence of the strand break cross‐section for oligonucleotides modified with 8‐bromoadenine (8BrA). These results were evaluated against DEA measurements with isolated 8BrA in the gas phase. Contrary to expectations, the major contribution to strand breaks is from resonances at around 7 eV while resonances at very low energy (<2 eV) have little influence on strand breaks.
Direct Alkylation of Amines with Primary and Secondary Alcohols through Biocatalytic Hydrogen Borrowing
Authors: Montgomery Sarah L. , Mangas‐Sanchez Juan , Thompson Matthew P. , Aleku Godwin A. , Dominguez Beatriz , Turner Nicholas J. 
Published: July 2017

AbstractThe reductive aminase from Aspergillus oryzae (AspRedAm) was combined with a single alcohol dehydrogenase (either metagenomic ADH‐150, an ADH from Sphingobium yanoikuyae (SyADH), or a variant of the ADH from Thermoanaerobacter ethanolicus (TeSADH W110A)) in a redox‐neutral cascade for the biocatalytic alkylation of amines using primary and secondary alcohols. Aliphatic and aromatic secondary amines were obtained in up to 99 % conversion, as well as chiral amines directly from the racemic alcohol precursors in up to >97 % ee, releasing water as the only byproduct.