bluuebunny/crossref_metadata_2025_split huggingface dataset:
How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles?
Authors: Chen Yang , Jarzembska Katarzyna N. , Trzop Elżbieta , Zhang Lei , Coppens Philip 
Published: July 2015

AbstractHomodisperse doped polyoxotitanate nanoclusters with formulae Ti11(MX)O14(OiPr)17 (M=Mn, Fe or Co; X=Cl, Br or I, OiPr=isopropoxide) display strongly dopant‐dependent properties. Spectroscopic solution and reflectance measurements backed up by density of states and time‐dependent DFT calculations based on the determined structures, show the prominent effect of FeX substitution by decreasing the HOMO–LUMO gap of the particles. The effect is attributed to the presence of an occupied Fe β orbital halfway up the bandgap, leading to long‐wavelength absorption with electron transfer to the titanium atoms of the cluster. Whereas the light absorption varies significantly with variation of the transition metal dopant, its dependency on the nature of the halogen atom or the change in dipole moment across the series is minor.
A Step‐by‐Step Assembly of a 3D Coordination Polymer in the Solid‐State by Desolvation and [2+2] Cycloaddition Reactions
Authors: Medishetty Raghavender , Tandiana Rika , Wu Jien , Bai Zhaozhi , Du Yonghua , Vittal Jagadese J. 
Published: July 2015

AbstractTwo solid‐state structural transformations that occur in a stepwise and a controlled manner are described. A combination of desolvation and cycloaddition reactions has been employed to synthesise a 3D coordination polymer (CP) from 1D CP [Cd(bdc)(4‐spy)2(H2O)]⋅2 H2O⋅2 DMF (bdc=1,4‐benzenedicarboxylate, 4‐spy=4‐styrylpyridine) presumably via a 2D layered structure, [Cd2(bdc)2(4‐spy)4]. In the absence of single crystals to follow the course of the photocycloaddition reaction, thermogravimetry, XAFS and NOESY NMR experiments were used to propose the formation of layered and pillared layered structures. Further, the present strategy enables us to synthesise new multidimensional architectures that are otherwise inaccessible by the self‐assembly process.
Catalytic Asymmetric Bromination of Unfunctionalized Olefins with H2O as a Nucleophile
Authors: Zhang Xun , Li Jing , Tian Hua , Shi Yian 
Published: July 2015

AbstractThe dimeric cinchona alkaloid (DHQD)2PHAL is used to catalyze an effective asymmetric bromohydroxylation of unfunctionalized olefins with H2O as nucleophile an N‐bromobenzamide as a bromine source. A variety of optically active bromohydrins are formed with up to 88 % ee.
Rückgewinnung Seltener Erden aus quecksilberbelasteten Leuchtstoffen mittels Feststoffchlorierung
Authors: Lorenz Tom , Golon Katja , Fröhlich Peter , Bertau Martin 
Published: July 2015

AbstractDurch die Entsorgung quecksilberhaltiger Leuchtstoffe werden dem Wertstoffkreislauf jedes Jahr große Mengen an Seltenen Erden entzogen. Zur Rückgewinnung dieser Wertstoffe wurde die Feststoffchlorierung mit NH4Cl untersucht. Dies ist eine Aufschlussmethode abseits nasschemischer oder pyrometallurgischer Verfahren. Die betrachteten, teils Hg‐haltigen Leuchtstoffmischungen enthielten neben La, Ce, Gd und Tb mit geringeren Elementgehalten vor allem Y und Eu. Durch NH4Cl‐Zugabe und Erhitzen bis zur Zersetzungstemperatur des NH4Cl wurden Y und Eu in einer Sublimationsapparatur mit hohen Ausbeuten selektiv aufgeschlossen. Die Abhängigkeit des Aufschlussgrades und der Selektivität vom NH4Cl/Leuchtstoffmischung‐Verhältnis und der Temperatur wurden systematisch untersucht.
Race‐specific features and outcomes of nodular lymphocyte‐predominant Hodgkin lymphoma: Analysis of the National Cancer Data Base
Authors: Olszewski Adam J. , Shrestha Rajesh , Cook Nathaniel M. 
Published: July 2015

BACKGROUNDThe incidence of nodular lymphocyte‐predominant Hodgkin lymphoma (NLPHL) is higher among African Americans than among other races, but to the authors' knowledge, the characteristics of NLPHL in this population have not been evaluated. The authors compared clinical features, treatments, and survival of black and white patients with NLPHL using the National Cancer Data Base.METHODSThe authors extracted the records of 602 black and 1950 white patients with NLPHL who were diagnosed between 1998 and 2011. Overall survival (OS) was compared using the log‐rank test.RESULTSBlack patients were on average younger than white patients (median age, 42 years vs 45 years; P =.0001), more often female (49% vs 29%; P<.0001), and more likely to have the axillary lymph nodes as the primary disease site (25% vs 17%; P =.0002). They also had unfavorable socioeconomic characteristics, a higher rate of no treatment in patients with early‐stage disease, and a longer time to therapy initiation (median, 53.5 days vs 47 days; P<.0001). Despite this, the authors found no significant difference between the races with regard to stage distribution or survival (P =.39). OS at 7 years was 90.1% in patients with early‐stage (American Joint Committee on Cancer stage IA/B, IIA) and 79.4% in patients with advanced stage (American Joint Committee on Cancer stage IIB, III/IV) NLPHL. Survival in the early stage of disease was not found to be significantly different after various treatment strategies (stratified log‐rank P = .18), except that the administration of chemotherapy was associated with a better outcome in black patients (log‐rank P =.011 vs P =.81 for white patients).CONCLUSIONSDifferences in clinical presentation suggest the interaction of race‐specific and sex‐specific susceptibility factors for NLPHL. Further research is needed to elucidate these factors, and to investigate possible heterogeneous effects of treatments by race. Clinical trials comparing standard treatment strategies are unlikely to detect differences in OS among patients with early‐stage NLPHL. Cancer 2015;121:3435–43. © 2015 American Cancer Society.
The relative bioavailability of 2 prototype fixed‐dose combination formulations for amlodipine and rosuvastatin in healthy white and Chinese subjects
Authors: Nwe Htar H. , Bullman Jonathan N. , Joshi Shashidhar M. , Stylianou Annie , Kapsi Shiva G. 
Published: July 2015

AbstractA fixed‐dose combination (FDC) may improve patient compliance and clinical outcomes in the management of cardiovascular risk in hypertensive and dyslipidemic patients. The study (NCT02075619) evaluated the bioavailability of 2 prototype FDC tablet formulations (FDC1 and FDC2) of amlodipine/rosuvastatin (10 mg/20 mg) compared with coadministered reference tablets. It was a randomized, single‐dose, 3‐way crossover pilot study in healthy white (n = 12) and Chinese (n = 12) adults. Three treatments (FDC1, FDC2, and reference) were administered after fasting with a washout period of 12–17 days. The pharmacokinetics of amlodipine and rosuvastatin were studied for all subjects (pooled) and by ethnicity. Safety and tolerability were also evaluated. Both FDCs met the bioequivalence criteria (90% confidence intervals falling within the range of 0.80–1.25) for AUC0–t and Cmax for amlodipine and rosuvastatin. Intrasubject variability (AUC0–t and Cmax) was in the region of 23%–25% for rosuvastatin and 7%–10% for amlodipine. The FDC formulations demonstrated similar bioavailability to coadministered commercially available amlodipine and rosuvastatin. All treatments were generally well tolerated.
Relative bioavailability of diclofenac potassium from softgel capsule versus powder for oral solution and immediate‐release tablet formulation
Authors: Bende Girish , Biswal Shibadas , Bhad Prafulla , Chen Yuming , Salunke Atish , Winter Serge , Wagner Robert , Sunkara Gangadhar 
Published: July 2015

AbstractThe oral bioavailability of diclofenac potassium 50 mg administered as a soft gelatin capsule (softgel capsule), powder for oral solution (oral solution), and tablet was evaluated in a randomized, open‐label, 3‐period, 6‐sequence crossover study in healthy adults. Plasma diclofenac concentrations were measured using a validated liquid chromatography–mass spectrometry/mass spectrometry method, and pharmacokinetic analysis was performed by noncompartmental methods. The median time to achieve peak plasma concentrations of diclofenac was 0.5, 0.25, and 0.75 hours with the softgel capsule, oral solution, and tablet formulations, respectively. The geometric mean ratio and associated 90%CI for AUCinf, and Cmax of the softgel capsule formulation relative to the oral solution formulation were 0.97 (0.95–1.00) and 0.85 (0.76–0.95), respectively. The geometric mean ratio and associated 90%CI for AUCinf and Cmax of the softgel capsule formulation relative to the tablet formulation were 1.04 (1.00–1.08) and 1.67 (1.43–1.96), respectively. In conclusion, the exposure (AUC) of diclofenac with the new diclofenac potassium softgel capsule formulation was comparable to that of the existing oral solution and tablet formulations. The peak plasma concentration of diclofenac from the new softgel capsule was 67% higher than the existing tablet formulation, whereas it was 15% lower in comparison with the oral solution formulation.
Organic Semiconductor/Gold Interface Interactions: From Physisorption on Planar Surfaces to Chemical Reactions with Metal Nanoparticles
Authors: Ligorio Giovanni , Nardi Marco Vittorio , Christodoulou Christos , Koch Norbert 
Published: July 2015

AbstractThe interaction of gold nanoparticles (AuNPs) with prototypical organic semiconductors used in optoelectronics, namely, tris(8‐hydroxyquinoline)aluminium (Alq3) and 4,4‐bis[N‐(1‐naphthyl)‐N‐phenylamino]diphenyl (α‐NPD), is investigated in situ by X‐ray photoelectron spectroscopy (XPS). These AuNPs‐on‐molecule experiments are compared with the reversed molecule‐on‐Au cases. The molecules‐on‐Au systems show only weak interactions, and the evolution of the XP spectra is dominated by final‐state effects. In contrast, in the AuNPs‐on‐molecules cases, both initial‐state effects and final‐state effects occur. Spectral features arising for both molecules and metal indicate charge transfer and the formation of organometallic complexes (initial‐state effects). The energy shift in the metal emission underlines the size‐induced nanometric nature of the molecule/Au interaction (final‐state effects). Consequently, the chemical interaction between metals and organic semiconductors likely depends strongly on the deposition sequence in general.
Self‐Assembly Mechanism of Nanoparticles of Ni‐Based Prussian Blue Analogues at the Air/Liquid Interface: A Synchrotron X‐ray Reflectivity Study
Authors: Giner‐Casares Juan J. , Clemente‐León Miguel , Coronado Eugenio , Brezesinski Gerald 
Published: July 2015

AbstractPrussian Blue analogue (PBA) nanoparticles can be self‐assembled at air/liquid interfaces to build novel materials with interesting magnetic features. Herein, we study the influence of the size of PBA Cs0.4Ni[Cr(CN)6]0.9 and K0.25Ni[Fe(CN)6]0.75 nanoparticles on the self‐assembly behavior by synchrotron X‐ray reflectivity. Both nanoparticles show similar Z‐potential values. The phospholipid dipalmitoylphosphatidylcholine and the amino surfactant dimethyldioctadecylammonium have been used as Langmuir monolayers to anchor the PBA nanoparticles and study the interplay of forces directing the self‐assembly of the nanoparticles at the surfactant/liquid interface. Whereas Cs0.4Ni[Cr(CN)6]0.9 nanoparticles with a diameter of 8 nm form an incomplete layer at the surfactant/water interface, the larger K0.25Ni[Fe(CN)6]0.75 nanoparticles with a diameter of 20 nm generate complete layers that can be stacked to one another. The size of the PBA nanoparticles is the main parameter determining the final arrangement at the air/liquid interface, due to the different extent of interparticle interaction. This study aims at the rationale design of PBA nanoparticles for an effective interfacial self‐assembly, ultimately leading to functional materials.
Synthesis, Structures, and Single‐Molecule Magnet Behaviour of High‐Nuclearity Nickel(II) Dicubane‐Type Complexes with Pyridyl–Alcohol Ligands
Authors: Hameury Sophie , Kayser Laure , Pattacini Roberto , Rosa Patrick , Barra Anne‐Laure , Braunstein Pierre 
Published: July 2015

AbstractThe condensation reaction between two chemically different tetranuclear cubane‐like clusters [Ni(μ3‐Cl)(Cl)(HL)]4 (1; HL=2‐methyl‐1‐(pyridin‐2‐yl)propan‐2‐ol) and [Ni(μ3‐OH)(Cl)(HL)]4 (2) provides new access to higher nuclearity complexes, as shown with the synthesis of the octanuclear complex [Ni8(μ3‐Cl)3(μ3‐OH)5(μ‐Cl)2Cl6(HL)7] (3). In one instance, we also isolated the heptanuclear complex [Ni7(μ3‐Cl)2(μ3‐OH)6Cl4(H2O)2(HL)6]Cl2 (4). Magnetic properties measured by superconducting quantum interference device (SQUID) susceptometry evidenced S=8 and S=5 ground states for complexes 3 and 4, respectively. In particular, alternating current (ac) susceptometry evidenced slow relaxation of the magnetisation for complex 3, and suggests a similar behaviour at sub‐kelvin temperatures for complex 4.
Nickel Hexacyanoferrate as Suitable Alternative to Ag for Electrochemical Lithium Recovery
Authors: Trócoli R. , Battistel A. , La Mantia F. 
Published: July 2015

AbstractCurrently, Li is mainly produced through evaporation of Li‐rich brines obtained from South American countries such as Bolivia, Chile, and Argentina. The most commonly used process, the lime–soda evaporation, requires a long time and several purification steps, which produces a considerable amount of chemical waste. Various electrochemical methods have been proposed as alternatives, but they use expensive metals such as Ag or Pt, thus rendering these methods economically unacceptable. In this work, we present KNiFe(CN)6, an abundant and environmentally friendly material, as alternative to these expensive components. The Prussian blue derivate has a higher affinity toward cations (Na+ or K+) than for Li+. Additionally, the use of KNiFe(CN)6 permits the utilization of seawater or brine water as recovery solution, thus reducing the consumption of fresh water, which is typically a scarce element in Li production sites.
rBEFdata: documenting data exchange and analysis for a collaborative data management platform
Authors: Pfaff Claas‐Thido , König‐Ries Birgitta , Lang Anne C. , Ratcliffe Sophia , Wirth Christian , Man Xingxing , Nadrowski Karin 
Published: July 2015

AbstractWe are witnessing a growing gap separating primary research data from derived data products presented as knowledge in publications. Although journals today more often require the underlying data products used to derive the results as a prerequisite for a publication, the important link to the primary data is lost. However, documenting the postprocessing steps of data linking, the primary data with derived data products has the potential to increase the accuracy and the reproducibility of scientific findings significantly. Here, we introduce the rBEFdata R package as companion to the collaborative data management platform BEFdata. The R package provides programmatic access to features of the platform. It allows to search for data and integrates the search with external thesauri to improve the data discovery. It allows to download and import data and metadata into R for analysis. A batched download is available as well which works along a paper proposal mechanism implemented by BEFdata. This feature of BEFdata allows to group primary data and metadata and streamlines discussions and collaborations revolving around a certain research idea. The upload functionality of the R package in combination with the paper proposal mechanism of the portal allows to attach derived data products and scripts directly from R, thus addressing major aspects of documenting data postprocessing. We present the core features of the rBEFdata R package along an ecological analysis example and further discuss the potential of postprocessing documentation for data, linking primary data with derived data products and knowledge.
Relative impacts of environmental variation and evolutionary history on the nestedness and modularity of tree–herbivore networks
Authors: Robinson Kathryn M. , Hauzy Céline , Loeuille Nicolas , Albrectsen Benedicte R. 
Published: July 2015

AbstractNestedness and modularity are measures of ecological networks whose causative effects are little understood. We analyzed antagonistic plant–herbivore bipartite networks using common gardens in two contrasting environments comprised of aspen trees with differing evolutionary histories of defence against herbivores. These networks were tightly connected owing to a high level of specialization of arthropod herbivores that spend a large proportion of the life cycle on aspen. The gardens were separated by ten degrees of latitude with resultant differences in abiotic conditions. We evaluated network metrics and reported similar connectance between gardens but greater numbers of links per species in the northern common garden. Interaction matrices revealed clear nestedness, indicating subsetting of the bipartite interactions into specialist divisions, in both the environmental and evolutionary aspen groups, although nestedness values were only significant in the northern garden. Variation in plant vulnerability, measured as the frequency of herbivore specialization in the aspen population, was significantly partitioned by environment (common garden) but not by evolutionary origin of the aspens. Significant values of modularity were observed in all network matrices. Trait‐matching indicated that growth traits, leaf morphology, and phenolic metabolites affected modular structure in both the garden and evolutionary groups, whereas extra‐floral nectaries had little influence. Further examination of module configuration revealed that plant vulnerability explained considerable variance in web structure. The contrasting conditions between the two gardens resulted in bottom‐up effects of the environment, which most strongly influenced the overall network architecture, however, the aspen groups with dissimilar evolutionary history also showed contrasting degrees of nestedness and modularity. Our research therefore shows that, while evolution does affect the structure of aspen–herbivore bipartite networks, the role of environmental variations is a dominant constraint.
Fonsecaea pedrosoi‐induced Th17‐cell differentiation in mice is fostered by Dectin‐2 and suppressed by Mincle recognition
Authors: Wüthrich Marcel , Wang Huafeng , Li Mengyi , Lerksuthirat Tassanee , Hardison Sarah E. , Brown Gordon D. , Klein Bruce 
Published: July 2015

Chromoblastomycosis is a chronic skin infection caused by the pigmented saprophytic mould Fonsecaea pedrosoi. Chronicity of infection can be broken by a coordinated innate recognition of the spores by pattern recognition receptors. While Mincle signaling via the Syk/Card9 pathway is required for fungal recognition by host cells, it is not sufficient for host control. Exogenously applied TLR agonists are necessary to promote the induction of proinflammatory cytokines and clearance of infection in vivo. Here, we investigated whether costimulation by TLR agonists fosters the development of adaptive immune responses, by examining the development of fungus‐specific T cells. Subcutaneous infection of mice with F. pedrosoi spores induced the activation, expansion, and differentiation of Ag‐specific CD4+ T cells but TLR costimulation did not further augment these T‐cell responses. The Dectin‐2/FcRγ/Card9 signaling pathway promoted the differentiation of fungus‐specific CD4+ T cells into Th17 cells, whereas Mincle inhibited the development of this T‐helper subset in infected mice. These results indicate differential roles for Dectin‐2 and Mincle in the generation of adaptive immune responses to F. pedrosoi infection.
Sensory abnormalities and pain in Parkinson disease and its modulation by treatment of motor symptoms
Authors: Cury R.G. , Galhardoni R. , Fonoff E.T. , Perez Lloret S. , dos Santos Ghilardi M.G. , Barbosa E.R. , Teixeira M.J. , Ciampi de Andrade D. 
Published: July 2015

AbstractPain and sensory abnormalities are present in a large proportion of Parkinson disease (PD) patients and have a significant negative impact in quality of life. It remains undetermined whether pain occurs secondary to motor impairment and to which extent it can be relieved by improvement of motor symptoms. The aim of this review was to examine the current knowledge on the mechanisms behind sensory changes and pain in PD and to assess the modulatory effects of motor treatment on these sensory abnormalities. A comprehensive literature search was performed. We selected studies investigating sensory changes and pain in PD and the effects of levodopa administration and deep brain stimulation (DBS) on these symptoms. PD patients have altered sensory and pain thresholds in the off‐medication state. Both levodopa and DBS improve motor symptoms (i.e.: bradykinesia, tremor) and change sensory abnormalities towards normal levels. However, there is no direct correlation between sensory/pain changes and motor improvement, suggesting that motor and non‐motor symptoms do not necessarily share the same mechanisms. Whether dopamine and DBS have a real antinociceptive effect or simply a modulatory effect in pain perception remain uncertain. These data may provide useful insights into a mechanism‐based approach to pain in PD, pointing out the role of the dopaminergic system in pain perception and the importance of the characterization of different pain syndromes related to PD before specific treatment can be instituted.
Near‐bed shear stress, turbulence production and dissipation in a shallow and narrow tidal channel
Authors: Pieterse Aline , Puleo Jack A. , McKenna Thomas E. , Aiken Rebecca A. 
Published: July 2015

AbstractNear‐bed, highly resolved velocity profiles were measured in the lower 0.03 m of the water column using acoustic Doppler profiling velocimeters in narrow tidal channels in a salt marsh. The bed shear stress was estimated from the velocity profiles using three methods: the log‐law, Reynolds stress, and shear stress derived from the turbulent kinetic energy (TKE). Bed shear stresses were largest during ebbing tide, while near‐bed velocities were larger during flooding tide. The Reynolds stress and TKE method gave similar results, while the log‐law method resulted in smaller bed shear stress values during ebbing tide. Shear stresses and turbulent kinetic energy followed a similar trend with the largest peaks during ebbing tide. The maximum turbulent kinetic energy was on the order of 1 × 10− 2 m2/s2. The fluid shear stress during flooding tide was approximately 30% of the fluid shear stress during ebbing tide. The maximum TKE‐derived shear stress was 0.7 N/m2 and 2.7 N/m2 during flooding and ebbing tide, respectively, and occurred around 0.02 m above the bed. Turbulence dissipation was estimated using the frequency spectrum and structure function methods. Turbulence dissipation estimates from both methods were maximum near the bed (~0.01 m). Both the structure function and the frequency spectrum methods resulted in maximum dissipation estimates on the order of 4 × 10− 3 m2/s3. Turbulence production exceeded turbulence dissipation at every phase of the tide, suggesting that advection and vertical diffusion are not negligible. However, turbulence production and dissipation were within a factor of 2 for 77% of the estimates. The turbulence production and dissipation decreased quickly away from the bed, suggesting that measurements higher in the water column cannot be translated directly to turbulence production and dissipation estimates near the bed. Copyright © 2015 John Wiley & Sons, Ltd.