bluuebunny/crossref_metadata_2025_split huggingface dataset:
The distribution of plasmaspheric hiss wave power with respect to plasmapause location
Authors: Malaspina David M. , Jaynes Allison N. , Boulé Cory , Bortnik Jacob , Thaller Scott A. , Ergun Robert E. , Kletzing Craig A. , Wygant John R. 
Published: August 2016

AbstractIn this work, Van Allen Probes data are used to derive terrestrial plasmaspheric hiss wave power distributions organized by (1) distance away from the plasmapause and (2) plasmapause distance from Earth. This approach is in contrast to the traditional organization of hiss wave power by L parameter and geomagnetic activity. Plasmapause‐sorting reveals previously unreported and highly repeatable features of the hiss wave power distribution, including a regular spatial distribution of hiss power with respect to the plasmapause, a standoff distance between peak hiss power and the plasmapause, and frequency‐dependent spatial localization of hiss. Identification and quantification of these features can provide insight into hiss generation and propagation and will facilitate improved parameterization of hiss wave power in predictive simulations of inner magnetosphere dynamics.
Mixing and dissipation in a geostrophic buoyancy‐driven circulation
Authors: Vreugdenhil Catherine A. , Gayen Bishakhdatta , Griffiths Ross W. 
Published: August 2016

AbstractTurbulent mixing and energy dissipation have important roles in the global circulation but are not resolved by ocean models. We use direct numerical simulations of a geostrophic circulation, resolving turbulence and convection, to examine the rates of dissipation and mixing. As a starting point, we focus on circulation in a rotating rectangular basin forced by a surface temperature difference but no wind stress. Emphasis is on the geostrophic regime for the horizontal circulation, but also on the case of strong buoyancy forcing (large Rayleigh number), which implies a turbulent convective boundary layer. The computed results are consistent with existing scaling theory that predicts dynamics and heat transport dependent on the relative thicknesses of thermal and Ekman boundary layers, hence on the relative roles of buoyancy and rotation. Scaling theory is extended to describe the volume‐integrated rate of mixing, which is proportional to heat transport and decreases with increasing rotation rate or decreasing temperature difference. In contrast, viscous dissipation depends crucially on whether the thermal boundary layer is laminar or turbulent, with no direct Coriolis effect on the turbulence unless rotation is extremely strong. For strong forcing, in the geostrophic regime, the mechanical energy input from buoyancy goes primarily into mixing rather than dissipation. For a buoyancy‐driven circulation in a basin comparable to the North Atlantic we estimate that the total rate of mixing accounts for over 95% of the mechanical energy supply, implying that buoyancy is an efficient driver of mixing in the oceans.
Near‐bed hydrodynamics and turbulence below a large‐scale plunging breaking wave over a mobile barred bed profile
Authors: van der Zanden J. , van der A D. A. , Hurther D. , Cáceres I. , O'Donoghue T. , Ribberink J. S. 
Published: August 2016

AbstractDetailed measurements are presented of velocities and turbulence under a large‐scale regular plunging breaking wave in a wave flume. Measurements were obtained at 12 cross‐shore locations around a mobile medium‐sand breaker bar. They focused particularly on the dynamics of the wave bottom boundary layer (WBL) and near‐bed turbulent kinetic energy (TKE), measured with an Acoustic Concentration and Velocity Profiler (ACVP). The breaking process and outer flow hydrodynamics are in agreement with previous laboratory and field observations of plunging waves, including a strong undertow in the bar trough region. The WBL thickness matches with previous studies at locations offshore from the bar crest, but it increases near the breaking‐wave plunge point. This relates possibly to breaking‐induced TKE or to the diverging flow at the shoreward slope of the bar. Outer flow TKE is dominated by wave breaking and exhibits strong spatial variation with largest TKE above the breaker bar crest. Below the plunge point, breaking‐induced turbulence invades the WBL during both crest and trough half cycle. This results in an increase in the time‐averaged TKE in the WBL (with a factor 3) and an increase in peak onshore and offshore near‐bed Reynolds stresses (with a factor 2) from shoaling to breaking region. A fraction of locally produced TKE is advected offshore over a distance of a few meters to shoaling locations during the wave trough phase, and travels back onshore during the crest half cycle. The results imply that breaking‐induced turbulence, for large‐scale conditions, may significantly affect near‐bed sediment transport processes.
The impact of revised simplified Arakawa‐Schubert scheme on the simulation of mean and diurnal variability associated with active and break phases of Indian summer monsoon using CFSv2
Authors: Ganai Malay , Krishna R. Phani Murali , Mukhopadhyay P. , Mahakur M. 
Published: August 2016

AbstractThe impact of revised simplified Arakawa‐Schubert (RSAS) convective parameterization scheme in Climate Forecast System (CFS) version 2 (CFSv2) on the simulation of active and break phases of Indian summer monsoon (ISM) has been investigated. The results revealed that RSAS showed better fidelity in simulating monsoon features from diurnal to daily scales during active and break periods as compared to SAS simulation. Prominent improvement can be noted in simulating diurnal phase of precipitation in RSAS over central India (CI) and equatorial Indian Ocean (EIO) region during active periods. The spatial distribution of precipitation largely improved in RSAS simulation during active and break episodes. CFSv2 with SAS simulation has noticeable dry bias over CI and wet bias over EIO region which appeared to be largely reduced in RSAS simulation during both phases of the intraseasonal oscillation (ISO). During active periods, RSAS simulates more realistic probability distribution function (PDF) in good agreement with the observation. The relative improvement has been identified in outgoing longwave radiation, monsoon circulations, and vertical velocities in RSAS over SAS simulation. The improvement of rainfall distribution appears to be contributed by proper simulation of convective rainfall in RSAS. CFSv2 with RSAS simulation is able to simulate observed diurnal cycle of rainfall over CI. It correctly reproduces the time of maximum rainfall over CI. It is found that the improved feedback between moisture and convective processes in RSAS may be attributed to its improved simulation. Besides improvement, RSAS could not reproduce proper tropospheric temperature, cloud hydrometeors over ISM domain which shows the scope for future development.
The collapse of Io's primary atmosphere in Jupiter eclipse
Authors: Tsang Constantine C. C. , Spencer John R. , Lellouch Emmanuel , Lopez‐Valverde Miguel A. , Richter Matthew J. 
Published: August 2016

AbstractVolcanic outgassing due to tidal heating is the ultimate source of a tenuous SO2 atmosphere around Jupiter's moon Io. The question of whether SO2 frost on the surface plays a part, and to what degree, in maintaining Io's atmosphere with the constant volcanic outgassing is still debated. It is believed that for a sublimation‐supported atmosphere, the primary atmosphere should collapse during eclipses by Jupiter, as the SO2 vapor pressure is strongly coupled to the temperature of the ice on the surface. No direct observations of Io's atmosphere in eclipse have previously been possible, due to the simultaneous need for high spectral and time sensitivity, as well as a high signal‐to‐noise ratio. Here we present the first ever high‐resolution spectra at 19 µm of Io's SO2 atmosphere in Jupiter eclipse from the Gemini telescope. The strongest atmospheric band depth is seen to dramatically decay from 2.5 ± (0.08)% before the eclipse to 0.18 ± (0.16)% after 40 min in eclipse. Further modeling indicates that the atmosphere has collapsed shortly after eclipse ingress, implying that the atmosphere of Io has a strong sublimation‐controlled component. The atmospheric column density—from pre‐eclipse to in‐eclipse—drops by a factor of 5 ± 2.
Observation of Depictive Versus Tracing Gestures Selectively Aids Verbal Versus Visual–Spatial Learning in Primary School Children
Authors: van Wermeskerken Margot , Fijan Nathalie , Eielts Charly , Pouw Wim T. J. L. 
Published: August 2016

SummaryPrevious research has established that gesture observation aids learning in children. The current study examined whether observation of gestures (i.e. depictive and tracing gestures) differentially affected verbal and visual–spatial retention when learning a route and its street names. Specifically, we explored whether children (n = 97) with lower visual and verbal working‐memory capacity benefited more from observing gestures as compared with children who score higher on these traits. To this end, 11‐ to 13‐year‐old children were presented with an instructional video of a route containing no gestures, depictive gestures, tracing gestures or both depictive and tracing gestures. Results indicated that the type of observed gesture affected performance: Observing tracing gestures or both tracing and depictive gestures increased performance on route retention, while observing depictive gestures or both depictive and tracing gestures increased performance on street name retention. These effects were not differentially affected by working‐memory capacity. Copyright © 2016 John Wiley & Sons, Ltd.
Validation of Standardized Questionnaires Evaluating Symptoms of Depression in Rheumatoid Arthritis Patients: Approaches to Screening for a Frequent Yet Underrated Challenge
Authors: Englbrecht Matthias , Alten Rieke , Aringer Martin , Baerwald Christoph G. , Burkhardt Harald , Eby Nancy , Fliedner Gerhard , Gauger Bettina , Henkemeier Ulf , Hofmann Michael W. , Kleinert Stefan , Kneitz Christian , Krueger Klaus , Pohl Christoph , Roske Anne‐Eve , Schett Georg , Schmalzing Marc , Tausche Anne‐Kathrin , Peter Tony Hans , Wendler Joerg 
Published: August 2016

ObjectiveTo validate standard self‐report questionnaires for depression screening in patients with rheumatoid arthritis (RA) and compare these measures to one another and to the Montgomery‐Åsberg Depression Rating Scale (MADRS), a standardized structured interview.MethodsIn 9 clinical centers across Germany, depressive symptomatology was assessed in 262 adult RA patients at baseline (T0) and at 12 ± 2 weeks followup (T1) using the World Health Organization 5‐Item Well‐Being Index (WHO‐5), the Patient Health Questionnaire (PHQ‐9), and the Beck Depression Inventory II (BDI‐II). The construct validity of these depression questionnaires (using convergent and discriminant validity) was evaluated using Spearman's correlations at both time points. The test–retest reliability of the questionnaires was evaluated in RA patients who had not undergone a psychotherapeutic intervention or received antidepressants between T0 and T1. The sensitivity and the specificity of the questionnaires were calculated using the results of the MADRS, a structured interview, as the gold standard.ResultsAccording to Spearman's correlation coefficients, all questionnaires met convergent validity criteria (ρ > |0.50|), with the BDI‐II performing best, while correlations with age and disease activity for all questionnaires met the criteria for discriminant validity (ρ < |0.50|). The only questionnaire to meet the predefined retest reliability criterion (ρ ≥ 0.70) was the BDI‐II (rs = 0.77), which also achieved the best results for both sensitivity and specificity (>80%) when using the MADRS as the gold standard.ConclusionThe BDI‐II best met the predefined criteria, and the PHQ‐9 met most of the validity criteria, with lower sensitivity and specificity.
Synthesis of Ag/g‐C3N4 Composite as Highly Efficient Visible‐Light Photocatalyst for Oxidative Amidation of Aromatic Aldehydes
Authors: Wang Lingling , Yu Min , Wu Chaolong , Deng Nan , Wang Chao , Yao Xiaoquan 
Published: August 2016

AbstractIn this contribution, an Ag/g‐C3N4 nanocomposite was synthesized and utilized as highly efficient and green photocatalyst for organic reactions under visible light irradiation. A layered, porous g‐C3N4 was synthesized following a modified solvothermal‐roasting process by using melamine and cyanuric chloride as precursor. Silver nanoparticles (NPs) were well anchored on g‐C3N4 nanosheets, which were prepared by a facile impregnation–roasting method. The inexpensive, stable g‐C3N4 coupled with the localized surface plasmon resonance (LSPR) effect of Ag NPs exhibited high photocatalytic activities toward aerobic oxidative amidation of aromatic aldehydes under visible light irradiation. Good to excellent yields were achieved for various substrates under the light of a 25 W compact fluorescent light (CFL) bulb in air. The operationally easy procedure provides an economical, green, and mild alternative for the formation of amide bonds.magnified image
Iron‐Catalyzed Michael Addition of Ketones to Polar Olefins
Authors: Zhang Di‐Han , Knelles Jakob , Plietker Bernd 
Published: August 2016

AbstractThe base metal complex tetrabutylammonium nitrosyltricarbonylferrate {Bu4N[Fe(CO)3(NO)] (TBA[Fe])} – catalyzes the conjugate addition of ketones to polar olefins. The reaction is applicable to a wide range of substrates leading to interesting building blocks for organic synthesis. Clear indications for an acid‐base type rather than a C−H activation pathway exist.magnified image
Synthesis of Highly Substituted Imidazo[1,5‐a]quinoxalines Through a Multicomponent Reaction Followed by Deprotection–Cyclization
Authors: Sashidhara Koneni V. , Prasad Dodda. Ranga , Upadhyay Akanksha , Reddy Palnati Gopala , Modukuri Ram K. , Kant Ruchir 
Published: August 2016

AbstractAn operationally simple and efficient, one‐pot, two‐step methodology has been developed for the assembly of medicinally important imidazo[1,5‐a]quinoxalines. The protocol involves the multicomponent reaction of aryl aldehydes, ortho‐N‐Boc‐phenylenediamines and azidochalcones in the presence of erbium triflate as a Lewis acid catalyst, followed by deprotection–cyclization with 10% trifluoroacetic acid, furnishing the desired compounds in moderate to good yields. By virtue of their convergence, two aromatic rings and four new bonds are generated during the course of this reaction protocol. The structure of one of the compounds was proved by X‐ray crystallography.magnified image
Efficient Catalyst for Both Suzuki and Heck Cross‐Coupling Reactions: Synthesis and Catalytic Behaviour of Geometry‐ Constrained Iminopyridylpalladium Chlorides
Authors: Tang Yujie , Zeng Yanning , Hu Qingxia , Huang Fang , Jin Liqun , Mo Weimin , Sun Nan , Hu Baoxiang , Shen Zhenlu , Hu Xinquan , Sun Wen‐Hua 
Published: August 2016

AbstractA series of geometry‐constrained iminopyridyl‐palladium chlorides were synthesized and characterized. These phosphine‐free palladium complexes were explored for their catalytic activities in both Suzuki and Heck cross‐coupling reactions, achieving turnover numbers as high as 106 towards various aryl bromides, even those containing various functionalities. In addition, the influence of substituents with steric and electronic factors was reflected by the differences observed in their activities.magnified image
N‐Benzyldithiocarbamate Salts as Sulfur Sources to Access Tricyclic Thioheterocycles Mediated by Copper Species
Authors: Luo Bingling , Cui Qingbin , Luo Hongwen , Hu Yumin , Huang Peng , Wen Shijun 
Published: August 2016

AbstractUsing an easily prepared triethylammonium N‐benzyldithiocarbamate salt as a sulfur source, a dual C−S functionalization of cyclic diaryliodoniums to form tricyclic thioheterocycles is realized. Our method uses the readily available copper sulfate to accelerate the chemical transformation under mild conditions. A broad range of cyclic diaryliodoniums with a ring size from 5‐ to 7‐membered can be employed to gain a quick access to tricyclic thioheterocycles including dibenzothiophenes, thioxanthenes, and phenoxathiines.magnified image
Mild Stereoselective Intermolecular Acetoxylation and Azidation of α‐C−H Bonds in Tröger's Bases
Authors: Pereira Raul , Ondrisek Pavol , Kubincová Alžbeta , Otth Elisabeth , Cvengroš Ján 
Published: August 2016

AbstractIntroduction of oxygen and nitrogen into organic molecules is one of the fundamental strategies for their functionalization. Traditional approaches rely on the formation of an activated intermediate, which is then modified in a subsequent step. Here we report a simple direct oxidative α‐acetoxylation and azidation of α‐C−H bonds in Tröger's base analogues promoted by N‐bromosuccinimide (NBS) and palladium(II)acetate [Pd(OAc)2] under mild conditions. This approach is pivotal on NBS oxidizing the carbon atoms next to the nitrogen atoms in the presence of Pd(OAc)2 followed by a reaction with oxygen‐ or nitrogen‐centred nucleophiles such as KOAc or NaN3 to yield either the mono‐ and bisacetoxylated or azidated Tröger's base derivatives in a stereo‐ and chemoselective manner. The obtained products can be efficiently modified to access synthetically meaningful structures.magnified image
Nickel‐ or Iron‐Catalyzed Cross‐Coupling of Aryl Carbamates with Arylsilanes
Authors: Shi Wen‐Juan , Zhao Hong‐Wei , Wang Yang , Cao Zhi‐Chao , Zhang Li‐Sheng , Yu Da‐Gang , Shi Zhang‐Jie 
Published: August 2016

AbstractAryl carbamates were for the first time applied as electrophiles in the cross‐coupling with arylsilanes via nickel or iron catalysis to construct valuable biaryl compounds. This new coupling reaction features a good group tolerance and non‐sensitivity to steric hindrance on both aryl carbamates and arylsilanes.magnified image
Tandem C(sp3)−H Arylation/Oxidation and Arylation/Allylic Substitution of Isoindolinones
Authors: Jiménez Jacqueline , Kim Byeong‐Seon , Walsh Patrick J. 
Published: August 2016

AbstractIsoindolinones comprise an important class of medicinally active compounds. Herein we report a straightforward functionalization of isoindolinones with aryl bromides (22 examples) using a palladium(II) acetate/NIXANTPHOS‐based catalyst system. Additionally 3‐aryl‐3‐hydroxyisoindolinone derivatives, which exhibit anti‐tumor activity, can be accessed via a tandem reaction. Thus, when the arylation product is exposed to air under basic conditions, in situ oxidation takes place to install the 3‐hydroxy group. Furthermore, a tandem arylation/allylic substitution reaction is advanced in which both the arylation and allylic substitution are catalyzed by the same palladium catalyst. Finally, a tandem arylation/alkylation procedure is presented. These tandem reactions enable the synthesis of a variety of structurally diverse isoindolinone derivatives from common starting materials.magnified image
First‐Generation Subporphyrinatoboron(III) Sensitizers Surpass the 10 % Power Conversion Efficiency Threshold
Authors: Copley Graeme , Hwang Daesub , Kim Dongho , Osuka Atsuhiro 
Published: August 2016

AbstractSubporphyrinatoboron(III) (SubB) sensitizers were synthesized for use in dye‐sensitized solar cells (DSSCs). The prototype, which comprises a sterically demanding 3,5‐di‐tert‐butylphenyl scaffold, a meso‐ethynylphenyl spacer, and a cyanoacrylic acid anchoring group, achieved an open‐circuit voltage VOC of 836 mV, short‐circuit current density JSC of 15.3 mA cm−2, fill factor of 0.786, and a photon‐to‐current conversion efficiency of 10.1 %. Such astonishing figures suggest that a bright future lies ahead for SubB in the realm of DSSCs.
Reversible Electrochemical Modulation of a Catalytic Nanosystem
Authors: della Sala Flavio , Chen Jack L.‐Y. , Ranallo Simona , Badocco Denis , Pastore Paolo , Ricci Francesco , Prins Leonard J. 
Published: August 2016

AbstractA catalytic system based on monolayer‐functionalized gold nanoparticles (Au NPs) that can be electrochemically modulated and reversibly activated is reported. The catalytic activity relies on the presence of metal ions (Cd2+ and Cu2+), which can be complexed by the nanoparticle‐bound monolayer. This activates the system towards the catalytic cleavage of 2‐hydroxypropyl‐p‐nitrophenyl phosphate (HPNPP), which can be monitored by UV/Vis spectroscopy. It is shown that Cu2+ metal ions can be delivered to the system by applying an oxidative potential to an electrode on which Cu0 was deposited. By exploiting the different affinity of Cd2+ and Cu2+ ions for the monolayer, it was also possible to upregulate the catalytic activity after releasing Cu2+ from an electrode into a solution containing Cd2+. Finally, it is shown that the activity of this supramolecular nanosystem can be reversibly switched on or off by oxidizing/reducing Cu/Cu2+ ions under controlled conditions.
A Multidimensional Diversity‐Oriented Synthesis Strategy for Structurally Diverse and Complex Macrocycles
Authors: Nie Feilin , Kunciw Dominique L. , Wilcke David , Stokes Jamie E. , Galloway Warren R. J. D. , Bartlett Sean , Sore Hannah F. , Spring David R. 
Published: August 2016

AbstractSynthetic macrocycles are an attractive area in drug discovery. However, their use has been hindered by a lack of versatile platforms for the generation of structurally (and thus shape) diverse macrocycle libraries. Herein, we describe a new concept in library synthesis, termed multidimensional diversity‐oriented synthesis, and its application towards macrocycles. This enabled the step‐efficient generation of a library of 45 novel, structurally diverse, and highly‐functionalized macrocycles based around a broad range of scaffolds and incorporating a wide variety of biologically relevant structural motifs. The synthesis strategy exploited the diverse reactivity of aza‐ylides and imines, and featured eight different macrocyclization methods, two of which were novel. Computational analyses reveal a broad coverage of molecular shape space by the library and provides insight into how the various diversity‐generating steps of the synthesis strategy impact on molecular shape.
Acidic Ultrafine Tungsten Oxide Molecular Wires for Cellulosic Biomass Conversion
Authors: Zhang Zhenxin , Sadakane Masahiro , Hiyoshi Norihito , Yoshida Akihiro , Hara Michikazu , Ueda Wataru 
Published: August 2016

AbstractThe application of nanocatalysis based on metal oxides for biomass conversion is of considerable interest in fundamental research and practical applications. New acidic transition‐metal oxide molecular wires were synthesized for the conversion of cellulosic biomass. The ultrafine molecular wires were constructed by repeating (NH4)2[XW6O21] (X=Te or Se) along the length, exhibiting diameters of only 1.2 nm. The nanowires dispersed in water and were observed using high‐angle annular dark‐field scanning transmission electron microscopy. Acid sites were created by calcination without collapse of the molecular wire structure. The acidic molecular wire exhibited high activity and stability and promoted the hydrolysis of the glycosidic bond. Various biomasses including cellulose were able to be converted to hexoses as main products.