bluuebunny/crossref_metadata_2025 huggingface dataset:
Land surface spinup for episodic modeling
Authors: Angevine W. M. , Bazile E. , Legain D. , Pino D.
Published: August 2014

Abstract. Soil moisture strongly controls the surface fluxes in mesoscale numerical models, and thereby influences the boundary layer structure. Proper initialization of soil moisture is therefore critical for faithful simulations. In many applications, such as air quality or process studies, the model is run for short, discrete periods (a day to a month). This paper describes one method for soil initialization in these cases – self-spinup. In self-spinup, the model is initialized with a coarse-resolution operational model or reanalysis output, and run for a month, cycling its own soil variables. This allows the soil variables to develop appropriate spatial variability, and may improve the actual values. The month (or other period) can be run more than once if needed. The case shown is for the Boundary Layer Late Afternoon and Sunset Turbulence experiment, conducted in France in 2011. Self-spinup adds spatial variability, which improves the representation of soil moisture patterns around the experiment location, which is quite near the Pyrenees Mountains. The self-spinup also corrects a wet bias in the large-scale analysis. The overall result is a much-improved simulation of boundary layer structure, evaluated by comparison with soundings from the field site. Self-spinup is not recommended as a substitute for multi-year spinup with an offline land data assimilation system in circumstances where the data sets required for such spinup are available at the required resolution. Self-spinup may fail if the modeled precipitation is poorly simulated. It is an expedient for cases when resources are not available to allow a better method to be used.
Tropical tropospheric ozone column retrieval for GOME-2
Authors: Valks P. , Hao N. , Gimeno Garcia S. , Loyola D. , Dameris M. , Jöckel P. , Delcloo A.
Published: August 2014

Abstract. This paper presents the operational retrieval of tropical tropospheric ozone columns (TOCs) from the Second Global Ozone Monitoring Experiment (GOME-2) instruments using the convective-cloud-differential (CCD) method. The retrieval is based on total ozone and cloud property data provided by the GOME Data Processor (GDP) 4.7, and uses above-cloud and clear-sky ozone column measurements to derive a monthly mean TOC between 20° N and 20° S. Validation of the GOME-2 TOC with several tropical ozonesonde sites shows good agreement, with a high correlation between the GOME-2 and sonde measurements, and small biases within ~ 3 DU. The TOC data have been used in combination with tropospheric NO2 measurements from GOME-2 to analyse the effect of the 2009–2010 El Niño–Southern Oscillation (ENSO) on the tropospheric ozone distribution in the tropics. El Niño induced dry conditions in September–October 2009 resulted in relatively high tropospheric ozone columns over the southern Indian Ocean and northern Australia, while La Niña conditions in September–October 2010 resulted in a strong increase in tropospheric NO2 in South America, and enhanced ozone in the eastern Pacific and South America. Comparisons of the GOME-2 tropospheric ozone data with simulations of the ECHAM/MESSy Atmospheric Chemistry (EMAC) model for 2009 El Niño conditions illustrate the usefulness of the GOME-2 TOC measurements in evaluating chemistry climate models (CCMs). Evaluation of CCMs with appropriate satellite observations helps to identify strengths and weaknesses of the model systems, providing a better understanding of driving mechanisms and adequate relations and feedbacks in the Earth atmosphere, and finally leading to improved models.
High-resolution global climate modelling: the UPSCALE project, a large-simulation campaign
Authors: Mizielinski M. S. , Roberts M. J. , Vidale P. L. , Schiemann R. , Demory M.-E. , Strachan J. , Edwards T. , Stephens A. , Lawrence B. N. , Pritchard M. , Chiu P. , Iwi A. , Churchill J. , del Cano Novales C. , Kettleborough J. , Roseblade W. , Selwood P. , Foster M. , Glover M. , Malcolm A.
Published: August 2014

Abstract. The UPSCALE (UK on PRACE: weather-resolving Simulations of Climate for globAL Environmental risk) project constructed and ran an ensemble of HadGEM3 (Hadley Centre Global Environment Model 3) atmosphere-only global climate simulations over the period 1985–2011, at resolutions of N512 (25 km), N216 (60 km) and N96 (130 km) as used in current global weather forecasting, seasonal prediction and climate modelling respectively. Alongside these present climate simulations a parallel ensemble looking at extremes of future climate was run, using a time-slice methodology to consider conditions at the end of this century. These simulations were primarily performed using a 144 million core hour, single year grant of computing time from PRACE (the Partnership for Advanced Computing in Europe) in 2012, with additional resources supplied by the Natural Environment Research Council (NERC) and the Met Office. Almost 400 terabytes of simulation data were generated on the HERMIT supercomputer at the High Performance Computing Center Stuttgart (HLRS), and transferred to the JASMIN super-data cluster provided by the Science and Technology Facilities Council Centre for Data Archival (STFC CEDA) for analysis and storage. In this paper we describe the implementation of the project, present the technical challenges in terms of optimisation, data output, transfer and storage that such a project involves and include details of the model configuration and the composition of the UPSCALE data set. This data set is available for scientific analysis to allow assessment of the value of model resolution in both present and potential future climate conditions.
Changes in soil organic carbon and nitrogen capacities of Salix cheilophila Schneid along a revegetation chronosequence in semi-arid degraded sandy land of the Gonghe Basin, Tibet Plateau
Authors: Yu Y. , Jia Q. Z.
Published: August 2014

Abstract. The Gonghe Basin is a sandified and desertified region of China, but the distribution of soil organic carbon (SOC) and total nitrogen (TN) along the cultivation chronosequence across this ecologically fragile region is not well understood. This study was carried out to understand the effects of afforestation with Salix cheilophila for different periods of time (6, 11, 16, 21 years) to test whether it enhanced C and N storage. Soil samples, in four replications from seven depth increments (every 10 cm from 0 to 30 cm, every 20 cm from 30 to 50 cm and every 50 cm from 50 to 200 cm), were collected in each stand. Soil bulk density, SOC, TN, aboveground biomass and root biomass were measured. Results indicated that changes occurred in both the upper and deeper soil layers with an increase in revegetation time. The 0–200 cm soil showed that the 6-year stand gained 3.89 Mg C ha−1 and 1.00 Mg N ha−1, which accounted for 40.82% of the original SOC and 11.06% of the TN of the 0-year stand. The 11-year stand gained 7.82 Mg C ha−1 and 1.98 Mg N ha−1 in the 0–200 cm soil layers, accounting for 58.06% of the SOC and 19.80% of the TN of the 0-year stand. The 16-year stand gained 11.32 Mg C ha−1 and 3.30 Mg N ha−1 in the 0–200 cm soil layers, accounting for 66.71% of the SOC and 21.98% of the TN of the 0-year stand. The 21-year stand gained 13.05 Mg C ha−1 and 5.45 Mg N ha−1 from the same soil depth, accounting for 69.79% of the SOC and 40.47% of the TN compared with the 0-year stand. The extent of these changes depended on soil depth and plantation age. The results demonstrated that as stand age increased, the storage of SOC and TN increased. These results further indicated that afforestation with S. cheilophila has positive impacts on the Gonghe Basin and has increased the capacity of SOC sequestration and N storage. Shrub's role as carbon sink is compatible with system's management and persistence. The findings are significant for assessing C and N sequestration accurately in semi-arid degraded high-cold sandy regions in the future.
Perspective:
Authors: Ewing Chatham
Published: August 2014

This article looks at Perspective, an academic quarterly that was privately funded and had major influence in the development of the canon in American literature. After giving a history of Perspective, the article uses statistical analysis, network diagramming, and network analysis to understand the shifting taste in the creation of the canon. There is more work that can be done in the field, and new technologies and programs may shed light on this issue.
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Authors: Murphy J. Stephen , Gaipa Mark
Published: August 2014

Taking their cue from the recommendation systems of Amazon and Netflix, which use networks of like-minded customers to suggest new titles to users, the authors investigate how networks in little magazines a hundred years ago helped readers navigate an overloaded literary market by recommending to them a taste for modernism. Focusing on The Freewoman, The New Freewoman and The Egoist—and drawing on data generated by the Modernist Journals Project—this essay shows how authors in these magazines' review and co-appearance networks became increasingly well-connected, and appeared more frequently, as the magazines became more modernistic and exclusive over time.
Effect of Variation in Food Components and Composition on the Antimicrobial Activity of Oregano and Clove Essential Oils in Broth and in a Reformulated Reduced Salt Vegetable Soup Product
Authors: Witkowska Anna M. , Hickey Dara K. , Wilkinson Martin G.
Published: August 2014

The objective of this study was to determine and quantify the influence of various food components (carbohydrates, fat, protein or NaCl contents) or chemical properties (pH, water activity levels) on the antimicrobial efficacy of oregano and clove essential oils (EOs). Growth of Listeria innocua or Escherichia coli treated with oregano or clove EOs was monitored following separate addition of various food components. Antimicrobial activity of EOs was enhanced in presence of NaCl (? 0.5 g/100 ml), or in media with low pH values (? 5.0), especially when adjusted with organic acids. Enhanced antimicrobial activity was observed following reduction in water activity, which appeared related to the nature of solute used. Antibacterial activity of EOs was reduced in presence of vegetable oil (? 1 ml/100 ml), protein (? 1 g/100 ml) or starch (? 10 g/100 ml). Based on data obtained, the composition of vegetable soup was altered to optimise the efficacy of EOs, by lowering the pH to 5.0 using citric acid. A combination of oregano EO and acidification appeared to control growth of L. innocua and E. coli during storage at 4 or 10 ºC. Thus, reformulation treatments including EO addition should be considered to improve the shelf-life of chilled ready meals.
The Convenience Yield and the Informational Content of the Oil Futures Price
Authors: Bernard Jean-Thomas , Khalaf Lynda , Kichian Maral , McMahon Sebastien
Published: August 2014

Recent studies have shown that futures prices do not generally outperform naive no-change forecasts of spot prices, calling into question the usefulness of futures prices for forecasting purposes. However, such usefulness is predicated on the question of whether certain modeling strategies are able to yield more of the information found in futures prices. Applying a forecast-based approach, we study the extent to which alternative ways of modeling futures prices can reveal the extent of the information present in futures prices. Using weekly and monthly data, and futures of maturities of one to four months, we notably examine the out-of-sample predictability of futures prices over various forecast horizons, and in real-time, whereby parameters are updated prior to each sequential forecast.

Our results with weekly data are particularly interesting. We find that models allowing for a time-varying convenience yield often produce considerably more precise forecasts over the three forecast horizons considered. Thus, more of the informational content of futures prices is attainable when both the price level and the distance of the latter from spot price are jointly considered, rather than when only the price level is considered. We also document that forecast performances improve with longer date-to-maturity futures, suggesting that the role of the convenience yield is greater when physical oil inventories are held for longer durations. Finally, we show that forecast accuracy is highest at the one year horizon, though the time-varying convenience models have a much higher accuracy than unit-root-based models even over the three and five-year horizons.
De (bijzondere) zorgplicht van banken jegens ondernemers bij renteswaptransacties
Authors: Caria V.Y.E.
Published: August 2014

In twee recente uitspraken van de Rechtbank Oost-Brabant en het Hof Den Bosch stond de vraag centraal wat de reikwijdte van de zorgplicht van de banken is jegens ‘professionele’ cliënten met wie zij een renteswaptransactie zijn aangegaan. Zij hebben vastgesteld dat banken de bijzondere zorgplicht niet alleen jegens particulieren, maar ook jegens ondernemingen in acht dienen te nemen. In deze bijdrage wordt besproken hoe de bijzondere zorgplicht in deze uitspraken wordt toegepast. Ook het belang van de uitspraken voor de verhouding tussen publiekrechtelijke gedragsnormen en de civielrechtelijke bijzondere zorgplicht komt aan de orde. Het is volgens de auteur te betwijfelen of de bescherming van ondernemers wel past binnen de reikwijdte van de civielrechtelijke bijzondere zorgplicht.
Synthesis and Modeling Study of Some Potential Pyrimidine Derivatives as HIV Inhibitors
Authors: Al-Masoudi Najim A. , Marich Yossra A. , Al-Salihi Niran J. , Saeed Bahjat
Published: August 2014

A new series of 2-amino-6-((4-aryldiazenyl)benzyloxy)-4-chloropyrimidine derivatives 4 - 13 and 2,6-diamino-5-arylazo-4-chloro-pyrimidine analogs 15 - 20 were synthesized from the pyrimidine scaffolds 3 and 14, respectively, via diazotization with various amines. Nucleophilic displacement at the 2,4-diamino-5-arylazo-6-chloro-pyrimidine 16 by different amines afforded the 4-alkylamino analogs 21 - 27. All new compounds were evaluated for their in vitro anti-HIV activity in MT-4 cells as non-nucleoside reverse transcriptase inhibitors on the basis of our previous work. Screening results indicated that 10 and 11 were found to be the only compounds in the series inhibiting HIV-1 replication in cell cultures with EC50 of >1:23 and >2:92 μg mL-1 of a CC50 of 12.30 and 17.52 μg mL-1, resulting in a selectivity index of 10 and 6, respectively. In addition, preliminary structure-activity relationships and molecular modeling of these new analogs are detailed in this manuscript.
Empathy, Film, and the Brain
Authors: Grodal Torben , Kramer Mette
Published: August 2014

This article discusses the role of empathy based on evolutionary, human developmental, and neuropsychological theories in combination with film theory and analysis in order to explain the film viewer’s emotional reactions primarily to painful fictive scenarios.
Wittgenstein, philosophe des romanciers
Authors: Lemieux Audrey
Published: August 2014

Dans le domaine culturel, peu de philosophes ont eu droit à une aussi grande popularité que Ludwig Wittgenstein. Ses travaux en philosophie du langage n’ont pas manqué d’inspirer artistes visuels, poètes et musiciens; sa figure, quant à elle, n’a cessé de fasciner cinéastes, romanciers et biographes. Rien qu’en littérature, on compte à présent plus d’une quinzaine d’oeuvres romanesques dans lesquelles le philosophe est mis en scène : c’est dire à quel point sa vie et son oeuvre offrent matière à fiction. Dans le présent article, l’auteure entend analyser trois de ces ouvrages : La maîtresse de Wittgenstein de David Markson (1989), Le désarroi de l’élève Wittgenstein d’Antoine Billot (2003) et Une enquête philosophique de Philip Kerr (1992).
Communication, cognition et créativité dans les sociétés de la connaissance. À propos de deux dilemmes
Authors: Ancori Bernard
Published: August 2014

L’histoire des sciences et l’analyse bibliométrique suggèrent que les sciences de la nature, les sciences de l’ingénieur et, dans une moindre mesure, les sciences médicales seraient entrées depuis une trentaine d’années dans un régime d’équilibre stationnaire. Le but de cet article est d’identifier l’une des causes possibles d’une telle situation, et de proposer une solution efficace pour y remédier. Cette cause pourrait en effet tenir au privilège conféré, depuis le début des années 1970 et surtout depuis le milieu des années 1990, à la communication sociale au détriment de la cognition individuelle ou collective. Quant à la solution efficace pour y remédier, elle consisterait à développer systématiquement dans certains domaines des collaborations de recherche entre le monde académique et les mondes non académiques. Pour le montrer, nous procédons en deux étapes. La première met en évidence l’existence de deux dilemmes liés en ce qui concerne la structure et l’évolution d’un réseau sociocognitif complexe d’acteurs individuels : le dilemme entre créativité globale du réseau et proximités individuelles des acteurs, et celui qui se pose à chacun de ces derniers, dans chaque état du réseau, entre communiquer et cogiter. La seconde étape résume rapidement l’évolution des sciences et des technologies occidentales vers une techno-science dont la créativité semble s’essouffler, puis montre que la généralisation de forums hybrides pourrait redonner un surcroît de vigueur à cette créativité aujourd’hui atone.
Échanges, contrats et diversité des cultures
Authors: d’Iribarne Philippe
Published: August 2014

La théorie économique des contrats suppose que leur conception et leur mise en oeuvre sont indépendantes du contexte culturel. Or, ce que les acteurs ont en tête quand ils passent des « contrats » diffère d’un pays à l’autre, en fonction de la conception d’une bonne manière de vivre et de travailler ensemble qui y prévaut. Nous en donnerons trois exemples : la variété des rapports entre une banque de développement et ses clients; la manière dont une entreprise présente ses relations avec ses clients en France et aux États-Unis; les relations entre clients et fournisseurs dans les rapports entre entreprises chinoises. Nous verrons en outre que la place qu’occupe la référence contractuelle dans le fonctionnement des entreprises et des économies est intimement liée à la vision de la société dont est porteuse la culture américaine.
Financial costs and personal consequences of research misconduct resulting in retracted publications
Authors: Stern Andrew M , Casadevall Arturo , Steen R Grant , Fang Ferric C
Published: August 2014

The number of retracted scientific articles has been increasing. Most retractions are associated with research misconduct, entailing financial costs to funding sources and damage to the careers of those committing misconduct. We sought to calculate the magnitude of these effects. Data relating to retracted manuscripts and authors found by the Office of Research Integrity (ORI) to have committed misconduct were reviewed from public databases. Attributable costs of retracted manuscripts, and publication output and funding of researchers found to have committed misconduct were determined. We found that papers retracted due to misconduct accounted for approximately $58 million in direct funding by the NIH between 1992 and 2012, less than 1% of the NIH budget over this period. Each of these articles accounted for a mean of $392,582 in direct costs (SD $423,256). Researchers experienced a median 91.8% decrease in publication output and large declines in funding after censure by the ORI.
Pumping iron
Authors: Philpott Caroline C
Published: August 2014

The primary role of the ZIP13 metal transporter in flies is to move iron ions out of cells, rather than moving zinc ions into cells, as is the case in human cells.
Ultra‐thick Triassic dolomites control the rupture behavior of the central Apennine seismicity: Evidence from magnetic modeling of the L'Aquila fault zone
Authors: Speranza Fabio , Minelli Liliana
Published: August 2014

High‐resolution tomography from the 2009 L'Aquila extensional seismic sequence has shown that the Mw 6.1 main shock and most of the aftershocks occurred within a high velocity body (6.6 ≤ Vp ≤ 6.8 km/s), located between depths of 3 and 12 km. The nature of the high‐Vp body has remained speculative, although exhumed mafic deep crustal and upper mantle rocks (serpentinites) have been favored. We used 3D magnetic anomaly modeling to investigate the plausibility of these favored sources for the L'Aquila body. The modeling does not support the presence of high‐velocity serpentinites with a 30–50% serpentinization degree and gabbros. Accordingly, we conclude that the high‐Vp body may represent non‐magnetic upper Triassic and possibly lower Liassic dolomites that have been drilled in neighboring wells for 2–4 km. This conclusion is also consistent with the lack of a coherent gravity anomaly for the body. We speculate that ultra‐thick Triassic dolomites reaching a thickness of 8 km may have been deposited in syntectonic wedges formed at the northern margin of the Ionian Sea, where oceanic spreading occurred in mid‐late Triassic times.
Occupational injuries in Ohio wood product manufacturing: A descriptive analysis with emphasis on saw‐related injuries and associated causes
Authors: Beery Lindsay , Harris James R. , Collins James W. , Current Richard S. , Amendola Alfred A. , Meyers Alysha R. , Wurzelbacher Steven J. , Lampl Mike , Bertke Stephen J.
Published: August 2014

Background

Stationary sawing machinery is often a basic tool in the wood product manufacturing industry and was the source for over 2,500 injury/illness events that resulted in days away from work in 2010.

Methods

We examined 9 years of workers' compensation claims for the state of Ohio in wood product manufacturing with specific attention to saw‐related claims. For the study period, 8,547 claims were evaluated; from this group, 716 saw‐related cases were examined.

Results

The sawmills and wood preservation sub‐sector experienced a 71% reduction in average incidence rate and an 87% reduction in average lost‐time incidence rate from 2001 to 2009. The top three injury category descriptions for lost‐time incidents within saw‐related claims were fracture (35.8%), open wounds (29.6%), and amputation (14.8%).

Conclusions

For saw‐related injuries, preventing blade contact remains important but securing the work piece to prevent kickback is also important. Am. J. Ind. Med. 57:1265–1275, 2014. © 2014 Wiley Periodicals, Inc.
Novel MTCYB mutation in a young patient with recurrent stroke‐like episodes and status epilepticus
Authors: Mancuso Michelangelo , Nesti Claudia , Ienco Elena Caldarazzo , Orsucci Daniele , Pizzanelli Chiara , Chiti Alberto , Giorgi Filippo S , Meschini Maria Chiara , Fontanini Gabriella , Santorelli Filippo Maria , Logerfo Annalisa , Romano Alessandro , Siciliano Gabriele , Bonuccelli Ubaldo
Published: August 2014

The acronym “MELAS” (mitochondrial encephalomyopathy with lactic acidosis and stroke‐like episodes) denotes patients with histological, biochemical and/or molecular evidence of mitochondrial disease who experience stroke‐like episodes. Here we report on a girl with repeated stroke‐like episodes and status epilepticus, who was diagnosed with MELAS due to a novel mitochondrial cytochrome b gene (MTCYB) mutation (m.15092G>A, which predicts p.G116S). Western blotting and in silico analyses suggested that this mutation could affect the stability of complex III. Cytochrome b is the only mtDNA‐encoded subunit of respiratory chain complex III. Mutations in MTCYB have been associated with isolated mitochondrial myopathy and exercise intolerance, and rarely with multisystem and/or central nervous system involvement. If the m.3243A>G and other common MELAS mutations are absent in several tissues, MTCYB should be sequenced from muscle in patients with stroke‐like episodes, especially if muscle histology does not support a mitochondrial myopathy and lactic acidosis is absent. © 2014 Wiley Periodicals, Inc.
The Allergies, Immunotherapy, and RhinoconjunctivitiS (AIRS) survey: provider practices and beliefs about allergen immunotherapy
Authors: Leatherman Bryan , Skoner David P. , Hadley James A. , Walstein Nicole , Blaiss Michael S. , Dykewicz Mark S. , Craig Timothy , Smith Nancy , Allen‐Ramey Felicia
Published: August 2014

Background

The practices and beliefs of the provider specialties that treat allergic rhinoconjunctivitis (ARC) with allergen immunotherapy (AIT) may vary.

Methods

A telephone survey of 500 randomly selected health care practitioners in 7 specialties, conducted in 2012.

Results

AIT was provided as a subcutaneous injection (SCIT) by 91% of allergist/immunologists, 54% of otolaryngologists, and 18% to 24% of other specialties. Otolaryngologists were the most frequent providers of sublingual drops of AIT (SLIT; 33%), compared to 2% to 10% of other specialties. AIT was recommended for adults with allergic rhinoconjunctivitis by 100% of allergist/immunologists vs 62% to 84% of the other specialties (p < 0.001). The primary reason for recommending AIT for adults (52%) or children (46%) was that other therapies did not work. Between 48% (nurse practitioners/physician assistants) and 93% (allergist/immunologists) of practitioners always or often decreased symptomatic medications over the course of AIT treatment. Most practitioners in all specialties (82–100%) thought that AIT was appropriate for patients with severe allergy symptoms. Significantly more allergist/immunologists and otolaryngologists than other specialists thought AIT was appropriate for mild allergy symptoms (p < 0.001 and p = 0.004, respectively, vs other specialties). Significantly more allergist/immunologists than other specialists thought that AIT was more effective than symptomatic medications (p < 0.001), could reduce the further development of allergies (p = 0.03), and could prevent the development of asthma.

Conclusion

SCIT was more frequently provided than SLIT by all the specialties. Otolaryngologists were the most likely to offer SLIT, while very few allergist/immunologists offered SLIT. Allergist/immunologists differed from other specialties in some beliefs about the effectiveness of AIT.
Pentacoordinate Phosphorus in a High‐Pressure Polymorph of Phosphorus Nitride Imide P4N6(NH)
Authors: Baumann Dominik , Schnick Wolfgang
Published: August 2014

Coordination numbers higher than usual are often associated with superior mechanical properties. In this contribution we report on the synthesis of the high‐pressure polymorph of highly condensed phosphorus nitride imide P4N6(NH) representing a new framework topology. This is the first example of phosphorus in trigonal‐bipyramidal coordination being observed in an inorganic network structure. We were able to obtain single crystals and bulk samples of the compound employing the multi‐anvil technique. γ‐P4N6(NH) has been thoroughly characterized using X‐ray diffraction, solid‐state NMR and FTIR spectroscopy. The synthesis of γ‐P4N6(NH) gives new insights into the coordination chemistry of phosphorus at high pressures. The synthesis of further high‐pressure phases with higher coordination numbers exhibiting intriguing physical properties seems within reach.
Asymmetric Michael Addition/Intramolecular Cyclization Catalyzed by Bifunctional Tertiary Amine–Squaramides: Construction of Chiral 2‐Amino‐4H‐chromene‐3‐Carbonitrile Derivatives
Authors: Gao Yu , Du Da‐Ming
Published: August 2014

The efficient asymmetric Michael addition/intramolecular cyclization of malononitrile with dienones catalyzed by a chiral bifunctional tertiary amine–squaramide catalyst for the synthesis of chiral 2‐amino‐4H‐chromene‐3‐carbonitrile derivatives was developed. The corresponding products were obtained in good to excellent yields (up to 99 %) with excellent enantioselectivities (up to 98 % ee) for most of the bisarylidenecyclopentanones.
A Comparative Study on the Electrodeposition of Tin from Two Different Ionic Liquids: Influence of the Anion on the Morphology of the Tin Deposits
Authors: Giridhar Pulletikurthi , Elbasiony Amr M. , Zein El Abedin Sherif , Endres Frank
Published: August 2014

The electrodeposition of tin from two ionic liquids (ILs) containing the 1‐butyl‐1‐methylpyrrolidinium cation ([Py1,4]+) and the trifluoromethylsulfonate (TfO−) or dicyanamide (DCA−) anion is investigated by cyclic voltammetry, scanning electron microscopy (SEM), infrared (IR) spectroscopy and X‐ray diffraction. Cyclic voltammetry is employed to evaluate the electrochemical behaviour of SnCl2 in the two ILs, and IR spectroscopy is used to study the difference in the complexation of SnCl2 in the two ILs. The electrodeposition of tin is also studied in [EMIm]DCA ([EMIm]+=1‐ethyl‐3‐methylimidazolium), for the purpose of comparison. The morphology of the electrodeposited tin from the different ILs is investigated by SEM, which shows that the morphology of the tin deposits changes upon changing the IL. Agglomerated tin deposits are obtained on gold and copper from [Py1,4]TfO. Tin dendrites were obtained both from [Py1,4]DCA and [EMIm]DCA. This study reveals that a change in the ionic composition (anion) of the IL can influence the morphology of electrodeposits of tin and presumably of other elements and compounds.
A case study in multi‐scale model reduction: The effect of cell density on catalytic converter performance
Authors: Fadic Anton , Nien Teng‐Wang , Mmbaga Joseph , Hayes Robert E. , Votsmeier Martin
Published: August 2014

One of the challenges of full‐scale computer simulation of a catalytic reactor is to consider the different scales involved in the problem in a practical fashion. In a monolith catalytic converter, these scales range from the molecular scale for the reactions, through the pore scale, washcoat scale, channel scale, and finally the full converter scale. This paper describes the implementation of a model reduction methodology using look‐up tables to perform a consistent comparison of six different catalytic converters used for the catalytic combustion of methane. A detailed mechanistic model for methane combustion is used. Diffusion in the non‐uniform washcoat is considered. The converters have different cell densities and wall thicknesses. Steady state and transient light‐off simulations are performed. Efficient computational speed is achieved by successive model reduction, which allows the preservation of detailed small‐scale information. The results obtained show that there is a non‐intuitive relationship between the various operating parameters, which can only be deduced from a comprehensive model.
A Differential Scanning Calorimetry and Theoretical Study on the Isomerization of trans‐[Co(cyclam)(ONO)2]X (X = PF6–, ClO4–)
Authors: Eslami Abbas , Hasani Nahid , Yeganegi Saeed
Published: August 2014

The solid‐state interconversion of trans‐[Co(cyclam)(ONO)2]X (X = PF6–, ClO4–; cyclam = 1,4,8,11‐tetraazacyclotetradecane, [14]aneN4; dinitrito isomer) and trans‐[Co(cyclam)(NO2)2]X (dinitro isomer) was investigated by differential scanning calorimetry (DSC). The conversion of the dinitrito isomer to the dinitro isomer was accompanied by the appearance of exothermic peaks. However, no isomerization DSC peak was observed for the dinitro isomers. The observed DSC peak for the dinitrito isomer was resolved into two peaks that correspond to two isomerization stages. The low‐temperature peak was ascribed to the conversion of the metastable dinitrito isomer to an unstable nitro–nitrito one, whereas the high‐temperature peak was attributed to the subsequent conversion of the nitro–nitrito isomer to the dinitro isomer. The kinetic parameters of the isomerization were determined by the Kissinger method. The electronic structures and thermodynamic stabilities of the linkage isomers, as well as the nature of the transition states, were investigated by DFT.
Synthesis and Characterization of Cationic Synphos‐Rhodium Complexes
Authors: Meißner Antje , Drexler Hans‐Joachim , Keller Sonja , Selle Carmen , Ratovelomanana‐Vidal Virginie , Heller Detlef
Published: August 2014

Different types of cationic Rh complexes bearing the Synphos ligand were characterized by NMR and X‐ray analysis for the first time. This set of compounds includes diolefin rhodium precursors [Rh(Synphos)(cod)]BF4 and [Rh(Synphos)(nbd)]BF4, solvate complexes [Rh(Synphos)(MeOH)2]BF4, [Rh(Synphos)(acetone)2]BF4 as well as the toluene complex [Rh(Synphos)(toluene)]BF4, trinuclear complexes [Rh3(Synphos)3(μ3‐OH)2]BF4 and [Rh3(Synphos)3(μ3‐Cl)2]BF4 and arene‐bridged dimer [Rh2(Synphos)2](BF4)2.
Reactions of [60]Fullerene with Halides and Amino Acids to Synthesize Fulleropyrrolidines
Authors: Jin Bo , Shen Juan , Peng Rufang , Chen Congdi , Chu Shijin
Published: August 2014

The reactions of [60]fullerene with benzyl chlorides and amino acids in chlorobenzene (PhCl) were investigated. Fulleropyrrolidines bearing ArCH moieties originating from the corresponding benzyl chlorides through C–Cl bond cleavage were obtained from these reactions. Use of PhCl/DMSO instead of PhCl as the solvent significantly improved the reaction efficiency. A detailed investigation of these reactions resulted in the discovery of other halides – such as allyl chloride, methallyl chloride, cinnamyl chloride, propargyl bromide, ethyl bromoacetate, bromoacetonitrile, bromomethane, bromopropane and bromobutane – that could also react with [60]fullerene and amino acids to produce fulleropyrrolidines. This reaction could be an alternative to the Prato reaction for synthesizing fulleropyrrolidines when aldehydes are expensive or unavailable from commercial sources. A plausible reaction mechanism for product formation involving C–X bond cleavage in the halide to form the aldehyde is proposed.
Functional anatomy and kinematics of the oral jaw system during terrestrial feeding in Periophthalmus barbarus
Authors: Michel Krijn B. , Adriaens Dominique , Aerts Peter , Dierick Manuel , Wassenbergh Sam Van
Published: August 2014

Cover illustration. Skeletal body plan of the Atlantic mudskipper (Periophthalmus barbarus) from a lateral view. The mudskipper uses its fish feeding apparatus to successfully feed in the terrestrial environment. Each color represents a unit of fused or otherwise firmly interconnected ossified structures. Presented from a micro CT‐scan using Amira (FEI Visualization Sciences Group). See Michel et al. (pp. 1145–116010.1002/jmor.20291) for further details.
Reliability and validity testing of automated scoring in obstructive sleep apnea diagnosis with the Embletta X100
Authors: Park Do Y. , Kim Hyun J. , Kim Chang‐Hoon , Kim Yoo S. , Choi Ji H. , Hong Sang Y. , Jung Jin J. , Lee Kang I. , Lee Han S.
Published: August 2014

Objectives/Hypothesis

To verify the reliability and validity of automated scoring and compare it to that of manual scoring for diagnosing obstructive sleep apnea using an Embletta X100 level 2 portable device.

Study Design

Retrospective study.

Methods

A total of 116 patients with suspected obstructive sleep apnea who had successfully received portable polysomnography with the Embletta X100 were examined. All polysomnography data were analyzed by automated and manual methods. Manual scoring was performed according to the revised American Academy of Sleep Medicine 2012 criteria. Automated scoring was analyzed using the automatic algorithm, which was updated with the American Academy of Sleep Medicine 2012 criteria. All parameters were evaluated statistically using correlation analysis and paired t tests.

Results

The apnea‐hypopnea index for automated scoring and manual scoring with the Embletta X100 were moderately correlated (r = 0.76, P < .001). However, there was poor agreement (Bland‐Altman plot, κ = 0.34, 0.33, and 0.26; cutoff value = 5, 15, and 30), and the apnea‐hypopnea index data were generally excessively underestimated based on diagnostic agreement and disagreement criteria. Furthermore, the apnea‐hypopnea index severity (Kendall tau‐b = 0.62) between automated and manual scoring lacked good concordance.

Conclusions

Automated scoring using the Embletta X100 was statistically moderately related to the manual scoring results. However, automated scoring tended to excessively underestimate the apnea‐hypopnea index data compared to manual scoring. Thus, manual scoring by a sleep expert is essential for obstructive sleep apnea diagnosis with the Embletta X100.

Level of Evidence

4. Laryngoscope, 125:493–497, 2015
Relationship between patient‐perceived vocal handicap and clinician‐rated level of vocal dysfunction
Authors: Childs Lesley F. , Bielinski Clifford , Toles Laura , Hamilton Amy , Deane Janis , Mau Ted
Published: August 2014

Objectives/Hypothesis

The relationship between patient‐reported vocal handicap and clinician‐rated measures of vocal dysfunction is not understood. This study aimed to determine if a correlation exists between the Voice Handicap Index‐10 (VHI‐10) and the Voice Functional Communication Measure rating in the National Outcomes Measurement System (NOMS).

Study Design

Retrospective case series.

Methods

Four hundred and nine voice evaluations over 12 months at a tertiary voice center were reviewed. The VHI‐10 and NOMS scores, diagnoses, and potential comorbid factors were collected and analyzed.

Results

For the study population as a whole, there was a moderate negative correlation between the NOMS rating and the VHI‐10 (Pearson r = −0.57). However, for a given NOMS level, there could be considerable spread in the VHI‐10. In addition, as the NOMS decreased stepwise below level 4, there was a corresponding increase in the VHI‐10. However, a similar trend in VHI‐10 was not observed for NOMS above level 4, indicating the NOMS versus VHI‐10 correlation was not linear. Among diagnostic groups, the strongest correlation was found for subjects with functional dysphonia. The NOMS versus VHI‐10 correlation was not affected by gender or the coexistence of a psychiatric diagnosis.

Conclusions

A simple relationship between VHI‐10 and NOMS rating does not exist. Patients with mild vocal dysfunction have a less direct relationship between their NOMS ratings and the VHI‐10. These findings provide insight into the interpretation of patient‐perceived and clinician‐rated measures of vocal function and may allow for better management of expectations and patient counseling in the treatment of voice disorders.

Level of Evidence

4 Laryngoscope, 125:180–185, 2015
Atraumatic intubation: Experience using a 5.0 endotracheal tube without a Stylet for laryngeal surgery
Authors: Moore Jaime E. , Hu Amanda , Rutt Amy , Green Parmis , Hawkshaw Mary , Sataloff Robert T.
Published: August 2014

Objectives/Hypothesis

Vocal fold injury is a well‐know complication of intubation, with rates reported as high as 69%. Laryngology textbooks recommend the use of a small endotracheal tube (ETT) to help avoid these complications and optimize visualization. Case reports have suggested that the rigid stylet can lead to laryngeal injury. Given the additional risks, intubation without the stylet is our preferred practice. There is limited documentation in the literature regarding this viewpoint. Our study investigated the feasibility of and potential barriers to intubation using 5.0 ETT without a stylet.

Study Design

Prospective study.

Methods

Consecutive adult patients undergoing laryngeal surgery were recruited for intubation with a 5.0 ETT without a stylet. Demographic data, specialty and training level of the intubator, and factors that would predict a difficult intubation were recorded. Descriptive statistical analysis was performed.

Results

Findings of the participants (n = 67) included average American Society of Anesthesiologists (ASA) physical status classification (2.2), average Mallampati score (1.7), average Cormack‐Lehane grade (1.5), and average body mass index (28.0). Five patients (7.4%) required intubation using a stylet, and one of these five participants was intubated initially with a stylet. Of these five participants, 80% required use of a GlideScope (P < .001), and they had significantly higher ASA classification (P = .047) and number of intubation attempts (P = .042). One patient sustained an oropharyngeal injury during intubation with a stylet. No participants had laryngeal injury.

Conclusions

Most patients can be intubated successfully using a 5.0 ETT without a stylet. There were no cases of laryngeal trauma with this technique.

Level of Evidence

2b. Laryngoscope, 125:396–399, 2015
In vivo1H MRS of human gallbladder bile at 3 T in one and two dimensions: detection and quantification of major biliary lipids
Authors: Mohajeri Sanaz , Ijare Omkar B. , Bezabeh Tedros , King Scott B. , Thomas M. Albert , Minuk Gerald , Lipschitz Jeremy , Kirkpatrick Iain , Smith Mike , Smith Ian C. P.
Published: August 2014

In vitro 1H MRS of human bile has shown potential in the diagnosis of various hepatopancreatobiliary (HPB) diseases. Previously, in vivo 1H MRS of human bile in gallbladder using a 1.5 T scanner demonstrated the possibility of quantification of choline‐containing phospholipids (chol‐PLs). However, other lipid components such as bile acids play an important role in the pathophysiology of the HPB system. We have employed a higher magnetic field strength (3 T), and a custom‐built receive array coil, to improve the quality of in vivo 1H MRS of human bile in the gallbladder. We obtained significant improvement in the quality of 1D spectra (17 healthy volunteers) using a respiratory‐gated PRESS sequence with well distinguished signals for total bile acids (TBAs) plus cholesterol resonating at 0.66 ppm, taurine‐conjugated bile acids (TCBAs) at 3.08 ppm, chol‐PLs at 3.22 ppm, glycine‐conjugated bile acids (GCBAs) at 3.74 ppm, and the amide proton (−NH) arising from GCBAs and TCBAs in the region 7.76–8.05 ppm. The peak areas of these signals were measured by deconvolution, and subsequently the molar concentrations of metabolites were estimated with good accuracy, except for that of TBAs plus cholesterol. The concentration of TBAs plus cholesterol was overestimated in some cases, which could be due to lipid contamination. In addition, we report the first 2D L‐COSY spectra of human gallbladder bile in vivo (obtained in 15 healthy volunteers). 2D L‐COSY spectra will be helpful in differentiating various biliary chol‐PLs in pathological conditions of the HPB system. Copyright © 2014 John Wiley & Sons, Ltd.
Unified bandgap engineering of graphene nanoribbons
Authors: Arora Vijay K. , Bhattacharyya Arkaprava
Published: August 2014

Unified bandgap engineering, valid both for the armchair and zigzag graphene nanoribbons (GNRs), is enunciated. Using the boundary condition appropriate for K–K′ points of the Dirac cones, GNRs are shown to exhibit three distinct semiconducting states SC0, SC1, and SC2 with complete absence of metallic state. The experimental bandgap for 7‐AGNR and 13‐AGNR armchair (A) is found to be in excellent agreement with SC1 state. Similar associations are pointed out for other configurations. Both the experimental data and theoretical results show bandgap and effective mass inversely proportional to the GNR width. The effective mass is directly proportional to the bandgap. The indexing scheme connects chiral index of carbon nanotubes (CNTs) to that used for GNR by making edge corrections for the dangling bonds.
A two stage approach for channel transmission rate aware scheduling in directional mmWave WPANs
Authors: Niu Yong , Li Yong , Jin Depeng , Su Li , Wu Dapeng (Oliver)
Published: August 2014

Millimeter wave (mmWave) communications in 60 GHz band have become a hot topic in wireless communications. New medium access control (MAC) protocols are needed because of the fundamental differences between mmWave communications and existing other communication systems. In mmWave wireless personal area networks, the channel transmission rates of links vary significantly because of the difference in the distance between nodes, the accuracy of beamforming, and the existence of obstructions. Owning to the directivity of mmWave links, spatial reuse should be exploited to improve network capacity. In this paper, we develop a channel transmission rate aware directional MAC protocol, termed RDMAC, in which both the multirate capability of links and spatial reuse are exploited to improve network performance. RDMAC has two stages. The first stage measures the channel transmission rates of links, and a heuristic algorithm is proposed to compute near‐optimal measurement schedules with respect to the total number of measurements. The second stage accommodates the traffic demand of links, and a heuristic transmission scheduling algorithm is proposed to compute near‐optimal transmission schedules with respect to the total transmission time. Simulations under various traffic modes show that compared with existing protocols, RDMAC has lower network latency, higher network throughput, and also a good fairness performance. Copyright © 2014 John Wiley & Sons, Ltd.
Structural transformations for data-enriched real-time systems
Authors: Olderog Ernst-Rüdiger , Swaminathan Mani
Published: August 2014

We investigate design-level
structural transformations
that aim at easier subsequent verification of real-time systems with shared data variables, modelled as networks of
extended timed automata
(ETA). Our contributions to this end are the following: (1) we first equip ETA with an operator for
layered composition
, intermediate between parallel and sequential composition. Under certain
non-interference
and/or
precedence
conditions imposed on the structure of the ETA networks, the
communication closed layer
(CCL) laws and associated partial-order (po-) and (layered) reachability equivalences are shown to hold. (2) Next, we investigate (under certain cycle conditions on the ETA) the (reachability preserving) transformations of
separation
and
flattening
aimed at reducing the number of cycles of the ETA. (3) We then show that our separation and flattening in (2) may be applied together with the CCL laws in (1), in order to restructure ETA networks such that the verification of
layered reachability
properties is rendered easier. This interplay of the three structural transformations (separation, flattening, and layering) is demonstrated on an enhanced version of Fischer’s
real-time mutual exclusion
protocol for access to multiple critical sections.
Localization of amyloid beta (Aβ1‐42) protofibrils in membrane lateral compartments: Effect of cholesterol and 7‐Ketocholesterol
Authors: Phan Huong T.T. , Vestergaard Mun'delanji C. , Baek KeangOk , Shimokawa Naofumi , Takagi Masahiro
Published: August 2014

Cholesterol plays an important role in the interaction of Alzheimer's amyloid beta (Aβ) with cell membranes, an important event in Aβ‐induced cytotoxicity. However, it is not fully understood how cholesterol influences the association of Aβ with membrane lateral compartments. We have shown that by modulating membrane fluidity, cholesterol decreased peptide localization in solid‐ordered domains and increased that in liquid‐ordered domains. It changed the amount of Aβ associating with liquid‐disordered (Ld) phase with different tendencies depending on the composition of heterogeneous membrane systems. 7‐Ketocholesterol, an oxidized derivative of cholesterol, majorly enhanced the fluidity of and Aβ interaction with Ld phase. These findings are useful for clarifying the impact of cholesterol and its oxidation in Aβ‐induced toxicity.