bluuebunny/crossref_metadata_2025 huggingface dataset:
Aqueous Oxidation of Sulfonamide Antibiotics: Aromatic Nucleophilic Substitution of an Aniline Radical Cation
Authors: Tentscher Peter R. , Eustis Soren N. , McNeill Kristopher , Arey J. Samuel
Published: July 2013

Sulfonamide antibiotics are an important class of organic micropollutants in the aquatic environment. For several, sulfur dioxide extrusion products have been previously reported upon photochemical or dark oxidation. Using quantum chemical modeling calculations and transient absorption spectroscopy, it is shown that single‐electron oxidation from sulfadiazine produces the corresponding aniline radical cation. Density functional theory calculations indicate that this intermediate can exist in four protonation states. One species exhibits a low barrier for an intramolecular nucleophilic attack at the para position of the oxidized aniline ring, in which a pyrimidine nitrogen acts as a nucleophile. This attack can lead to a rearranged structure, which exhibits the same connectivity as the SO2‐extruded oxidation product that was previously observed in the aquatic environment and characterized by NMR spectroscopy. We report a detailed reaction mechanism for this intramolecular aromatic nucleophilic substitution, and we discuss the possibility of this reaction pathway for other sulfonamide drugs.
Electrochemical‐Reduction‐Assisted Assembly of a Polyoxometalate/Graphene Nanocomposite and Its Enhanced Lithium‐Storage Performance
Authors: Wang Shan , Li Haolong , Li Shuang , Liu Fang , Wu Dongqing , Feng Xinliang , Wu Lixin
Published: July 2013

Herein, we present an electrochemically assisted method for the reduction of graphene oxide (GO) and the assembly of polyoxometalate clusters on the reduced GO (rGO) nanosheets for the preparation of nanocomposites. In this method, the Keggin‐type H4SiW12O40 (SiW12) is used as an electrocatalyst. During the reduction process, SiW12 transfers the electrons from the electrode to GO, leading to a deep reduction of GO in which the content of oxygen‐containing groups is decreased to around 5 %. Meanwhile, the strong adsorption effect between the SiW12 clusters and rGO nanosheets induces the spontaneous assembly of SiW12 on rGO in a uniformly dispersed state, forming a porous, powder‐type nanocomposite. More importantly, the nanocomposite shows an enhanced capacity of 275 mAh g−1 as a cathode active material for lithium storage, which is 1.7 times that of the pure SiW12. This enhancement is attributed to the synergistic effect of the conductive rGO support and the well‐dispersed state of the SiW12 clusters, which facilitate the electron transfer and lithium‐ion diffusion, respectively. Considering the facile, mild, and environmentally benign features of this method, it is reasonable as a general route for the incorporation of more types of functional polyoxometalates onto graphene matrices; this may allow the creation of nanocomposites for versatile applications, for example, in the fields of catalysis, electronics, and energy storage.
ChemInform Abstract: Ba2Cd(B3O6)2: A Congruent‐Melting Compound with Isolated B3O6 Units.
Authors: Zhou Zhongxiang , et al. et al.
Published: July 2013

Powders of the title compound are prepared by solid state reaction of stoichiometric mixtures of Ba(NO3)2, CdO, and H3BO3 (810 °C, 48 h).
ChemInform Abstract: Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.
Authors: Luo Kun , Johnson Roger D. , Tran Thao T. , Halasyamani P. Shiv , Radaelli Paolo G. , Hayward Michael A.
Published: July 2013

Fe4+ containing Ba2YFeO5.5 is obtained by heating the cation‐ordered perovskite phase Ba2YFeO5 under 80 atm O2 (410 °C, 1 d).
ChemInform Abstract: Practical Enantioselective Hydrogenation of α‐Aryl‐ and α‐Carboxyamidoethylenes by Rhodium(I)‐{1,2‐Bis[(o‐tert‐butoxyphenyl)(phenyl)phosphino]ethane}.
Authors: Mohar Barbara , Stephan Michel
Published: July 2013

The title catalyst system displays high efficiency in the hydrogenation of α‐amidostyrenes (I) and α‐amidoacrylates (V).
ChemInform Abstract: Enantioselective Synthesis of 3,4‐Dihydropyran Derivatives via a Michael Addition Reaction Catalyzed by Chiral Pybox—diph—Zn(II) Complex.
Authors: Ray Sumit K. , Rout Subhrajit , Singh Vinod K.
Published: July 2013

Resulting Michael addition products are all found to exist in rapid equilibrium with their diastereomeric hemiketal form, formed by two carbonyl groups in 1,5‐position.
ChemInform Abstract: Evaluation of Cyclopentyl Methyl Ether (CPME) as a Solvent for Radical Reactions.
Authors: Kobayashi Shoji , Kuroda Hiroyuki , Ohtsuka Yuta , Kashihara Takashi , Masuyama Araki , Watanabe Kiyoshi
Published: July 2013

CPME is demonstrated to be an effective solvent for a variety of radical addition and reduction reactions.
ChemInform Abstract: TMPZnOPiv·LiCl: A New Base for the Preparation of Air‐Stable Solid Zinc Pivalates of Sensitive Aromatics and Heteroaromatics.
Authors: Stathakis Christos I. , Manolikakes Sophia M. , Knochel Paul
Published: July 2013

Hindered zinc amide (I) provides a fast access to zinc pivalates of a wide range of aromatic and heteroaromatic substrates bearing sensitive functionalities like aldehyde or nitro groups.
ChemInform Abstract: Broadening the Catalyst and Reaction Scope of Regio‐ and Chemoselective C—H Oxygenation: A Convenient and Scalable Approach to 2‐Acylphenols by Intriguing Rh(II) and Ru(II) Catalysis.
Authors: Shan Gang , Han Xuesong , Lin Yun , Yu Shanyou , Rao Yu
Published: July 2013

The novel method demonstrates excellent ortho‐selectivity and good functional group tolerance.
ChemInform Abstract: Unveiling the Reactivity of Propargylic Hydroperoxides under Gold Catalysis.
Authors: Alcaide Benito , Almendros Pedro , Quiros M. Teresa , Lopez Ramon , Menendez Maria I. , Sochacka‐Cwikla Aleksandra
Published: July 2013

This gold‐catalyzed reaction of primary and secondary propargylic hydroperoxides with a variety of O‐ and C‐nucleophiles furnishes β‐functionalized ketones.
ChemInform Abstract: Cu(I)‐Catalyzed Domino Reaction of 3‐Cyclopropylideneprop‐2‐en‐1‐ones.
Authors: Miao Maozhong , Cao Jian , Zhang Jingjing , Huang Xian , Wu Luling
Published: July 2013

An interesting new route to benzofuranone derivatives with one highly strained three‐membered ring and one four‐membered ring is reported.
ChemInform Abstract: Regio‐ and Enantioselective Synthesis of Pyrrolidines Bearing a Quaternary Center by Palladium‐Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethanes.
Authors: Trost Barry M. , Lam Tom M. , Herbage Melissa A.
Published: July 2013

In reactions of electron‐rich imines LGA proved to be very efficient whereas LGB gives better results with electron‐deficient imines.
ChemInform Abstract: Synthesis of Pyrrolin‐4‐ones by Pt‐Catalyzed Cycloisomerization in PEG under Microwaves.
Authors: Spina Rosella , Colacino Evelina , Gabriele Bartolo , Salerno Giuseppe , Martinez Jean , Lamaty Frederic
Published: July 2013

The reaction proceeds under mild conditions.
ChemInform Abstract: Rhodium‐ and Platinum‐Catalyzed [4 + 3] Cycloaddition with Concomitant Indole Annulation: Synthesis of Cyclohepta[b]indoles.
Authors: Shu Dongxu , Song Wangze , Li Xiaoxun , Tang Weiping
Published: July 2013

The procedure renders possible an access to various highly functionalized important structural motifs.
ChemInform Abstract: Highly Enantioselective Friedel—Crafts Alkylation/N‐Hemiacetalization Cascade Reaction with Indoles.
Authors: Cheng Hong‐Gang , Lu Liang‐Qiu , Wang Tao , Yang Qing‐Qing , Liu Xiao‐Peng , Li Yang , Deng Qiao‐Hui , Chen Jia‐Rong , Xiao Wen‐Jing
Published: July 2013

The method allows the preparation of a broad spectrum of diversely functionalized polycyclic indole skeletons with generally high enantioselectivity.
ChemInform Abstract: Unexpected Formation of N‐(1‐(2‐Aryl‐hydrazono)isoindolin‐2‐yl)benzamides and Their Conversion into 1,2‐(Bis‐1,3,4‐oxadiazol‐2‐yl)benzenes.
Authors: Paraschivescu Codruta C. , Matache Mihaela , Dobrota Cristian , Nicolescu Alina , Maxim Catalin , Deleanu Calin , Farcasanu Ileana C. , Hadade Niculina D.
Published: July 2013

Isoindolinyl benzamides (III) are obtained as major products along with trace amounts of the predictable 1,2‐bis‐aroylhydrazones.
ChemInform Abstract: Eco‐Efficient, Regioselective and Rapid Access to 4,5‐Disubstituted 1,2,3‐Thiadiazoles via [3 + 2] Cycloaddition of α‐Enolicdithioesters with Tosyl Azide under Solvent‐Free Conditions.
Authors: Singh Maya Shankar , Nagaraju Anugula , Verma Girijesh Kumar , Shukla Gaurav , Verma Rajiv Kumar , Srivastava Abhijeet , Raghuvanshi Keshav
Published: July 2013

The title reaction is assumed to proceed via azide transfer from tosyl azide to dithio esters (I) followed by Wolff‐type heterocyclization.
ChemInform Abstract: Direct Selective Oxidative Cross‐Coupling of Simple Alkanes with Heteroarenes.
Authors: Antonchick Andrey P. , Burgmann Lars
Published: July 2013

An efficient and scalable method is developed using PIFA as the oxidant.
ChemInform Abstract: Cascade Syntheses Routes to the Centrocountins.
Authors: Eschenbrenner‐Lux Vincent , Dueckert Heiko , Khedkar Vivek , Bruss Hanna , Waldmann Herbert , Kumar Kamal
Published: July 2013

Cascade synthesis routes to tetracyclic indoloquinolines using easily accessible substrates are presented.
ChemInform Abstract: Regioselective Synthesis of Phenoxathiin Derivatives under Transition‐Metal‐Free Conditions.
Authors: Hu Fangdong , Zhao Xin , Li Yanqiu , Feng Lei , Ma Chen
Published: July 2013

Base‐promoted condensation of 1,2‐dihaloarenes or 1‐halo‐2‐nitroarenes with 2‐sulfanylphenol (II) offers a simple regioselective synthesis of various phenoxathiin structures and aza‐analogues such as (XIII) and (XV).
ChemInform Abstract: Selective Access to Trisubstituted Macrocyclic E‐ and Z‐Alkenes from the Ring‐Closing Metathesis of Vinylsiloxanes.
Authors: Wang Yikai , Jimenez Miguel , Sheehan Patrick , Zhong Cheng , Hung Alvin W. , Tam Chun Pong , Young Damian W.
Published: July 2013

Retention or inversion of alkene geometry during bromination depend on both ring size and steric relations in the substrate.
ChemInform Abstract: Advanced Materials for Solid‐State Refrigeration
Authors: Manosa Lluis , Planes Antoni , Acet Mehmet
Published: July 2013

Review: 101 refs.
ChemInform Abstract: Organocatalytic Asymmetric Synthesis of 3‐Amino‐2‐oxindole Derivatives Bearing a Tetra‐Substituted Stereocenter
Authors: Chauhan Pankaj , Chimni Swapandeep Singh
Published: July 2013

Review: 44 refs.
ChemInform Abstract: Chemical Tricks to Stabilize Silanones and Their Heavier Homologues with E=O Bonds (E: Si—Pb): From Elusive Species to Isolable Building Blocks.
Authors: Xiong Yun , Yao Shenglai , Driess Matthias
Published: July 2013

Review: about 60 refs.
ChemInform Abstract: Carbohydrate Synthesis Towards Glycobiology
Authors: Yu Biao , Wang Lai‐Xi
Published: July 2013

Review: 216 refs.
ChemInform Abstract: Advances in the Chemistry of Pyrazolopyrazoles
Authors: Khidre Rizk Elsyad , Mohamed Hanan Ahmed , Abdel‐Wahab Bakr Fathy
Published: July 2013

Review: 146 refs.
ChemInform Abstract: Use of Rhodium Nanoparticles in Hydrogenation and Hydroformylation Reactions
Authors: Guerrero Miguel , Chau Nguyet T. Than , Noel Sebastien , Denicourt‐Nowicki Audrey , Hapiot Frederic , Roucoux Alain , Monflier Eric , Philippot Karine
Published: July 2013

Review: 158 refs.
ChemInform Abstract: Designing a New Antifungal Glycoconjugate Vaccine
Authors: Johnson Margaret A. , Bundle David R.
Published: July 2013

Review: 93 refs.
ChemInform Abstract: Bridging Lectin Binding Sites by Multivalent Carbohydrates
Authors: Wittmann Valentin , Pieters Roland J.
Published: July 2013

Review: 87 refs.
Biogas Conditioning Using Hollow Fiber Membrane Contactors
Authors: Vogler Steffen , Braasch Axel , Buse Gerhard , Hempel Sören , Schneider Jürgen , Ulbricht Martin
Published: July 2013

Biogas is a popular source of renewable energy. However, production and conversion of biogas at the same location can result in energy losses up to 60 %. This energy loss can be reduced by upgrading the biogas to biomethane for injection into an existing gas delivery network and other uses. In order to upgrade the raw biogas produced from agriculture and industrial plants unwanted and harmful gases like CO2 and H2S need to be removed. An innovative process for biogas conditioning using hollow fiber membrane contactors is presented. In comparison to membrane gas separation no elevated pressure is needed.
A clustering based coscheduling strategy for efficient scientific workflow execution in cloud computing
Authors: Deng Kefeng , Ren Kaijun , Song Junqiang , Yuan Dong , Xiang Yang , Chen Jinjun
Published: July 2013

Due to its advantages of cost‐effectiveness, on‐demand provisioning and easy for sharing, cloud computing has grown in popularity with the research community for deploying scientific applications such as workflows. Although such interests continue growing and scientific workflows are widely deployed in collaborative cloud environments that consist of a number of data centers, there is an urgent need for exploiting strategies which can place application datasets across globally distributed data centers and schedule tasks according to the data layout to reduce both latency and makespan for workflow execution. In this paper, by utilizing dependencies among datasets and tasks, we propose an efficient data and task coscheduling strategy that can place input datasets in a load balance way and meanwhile, group the mostly related datasets and tasks together. Moreover, data staging is used to overlap task execution with data transmission in order to shorten the start time of tasks. We build a simulation environment on Tianhe supercomputer for evaluating the proposed strategy and run simulations by random and realistic workflows. The results demonstrate that the proposed strategy can effectively improve scheduling performance while reducing the total volume of data transfer across data centers. Concurrency and Computation: Practice and Experience, 2013.© 2013 Wiley Periodicals, Inc.
Toward an economic and energy‐aware cloud cost model
Authors: Mach Werner , Schikuta Erich
Published: July 2013

This paper represents an economic cost model for cloud computing aiming at comprising all kinds of cost of a commercial environment. To extend conventional state‐of‐the‐art models considering only fixed cost, we developed a concise but comprehensive analytical model, which includes also variable cost allowing for the development and evaluation of business strategies for cloud environments. These strategies can be used for both cloud providers and cloud consumers. The major goal of our model is to comprise all important economic fundamentals and methods. Thus, this new model supports the decision‐making process to be applied with business cases and enables cloud consumers and cloud providers to define their own business strategies and to analyze the respective impact on their business. On the basis of this model, also, the energy efficiency of cloud systems can be evaluated according to chosen business models. Copyright © 2013 John Wiley & Sons, Ltd.
IRF5, IRF8, and IRF7 in human pDCs — the good, the bad, and the insignificant?
Authors: Pelka Karin , Latz Eicke
Published: July 2013

Interferon (IFN) regulatory factors (IRFs) are transcription factors with versatile functions in the regulation of innate and adaptive immune responses. In the current issue of the European Journal of Immunology, Steinhagen et al. [Eur. J. Immunol. 2013. 43: 1896–1906] investigate the regulation of IFN‐β and IL‐6 induction in human plasmacytoid DCs stimulated with CpG DNA. Using RNA interference studies, the authors identify critical roles for IRF5 and IRF8 as positive and negative regulators, respectively. In contrast, knockdown of IRF7 had no significant effect on IFN‐β or IL‐6 gene induction. In this Commentary, these findings are discussed in the context of the published literature and recent data regarding IRF5 and IRF8 as susceptibility genes for autoimmunity.
Dinitrogen Activation at Iron and Cobalt Metallalumatranes
Authors: Rudd P. Alex , Planas Nora , Bill Eckhard , Gagliardi Laura , Lu Connie C.
Published: July 2013

Anionic cobalt and iron metallalumatranes that bind dinitrogen in an end‐on fashion were prepared and characterized by X‐ray crystallography. Along with literature‐known neutral cobalt and iron metallalumatranes, they form a quartet of low‐valent coordination complexes for comparing dinitrogen activation and functionalization at cobalt versus iron centers. In the anionic metallalumatranes, the metal atoms are proposed to have subvalent oxidation states of –1. The electronic structure of the anionic iron alumatrane, which was probed by electron paramagnetic resonance spectroscopy, Mössbauer spectroscopy, and density functional theory, is most consistent with Fe(–1)→Al(+3). Functionalization of dinitrogen was achieved by reaction of the ferrate alumatrane with 1,2‐bis(chlorodimethylsilyl)ethane and KC8 (1 equiv.) to generate an iron(II) disilylhydrazido complex. The transformation of dinitrogen to disilylhydrazido(2–) is an overall four‐electron process.
Efficient Aldol‐Type Reaction of O‐Protected α‐Hydroxy Aldehydes and N‐Trimethylsilyl Ketene Imines: Synthesis of β,γ‐Dihydroxy‐Nitriles
Authors: Long Sha , Panunzio Mauro , Qin Wenling , Bongini Alessandro , Monari Magda
Published: July 2013

An uncatalyzed aldol‐type reaction of aromatic N‐trimethylsilyl ketene imines with O‐protected α‐trialkylsilyloxy or α‐benzyloxy aldehydes is reported. It is shown that N‐trimethylsilyl ketene imines (SKIs) are essential for the success of this aldol‐type reaction, and that almost complete control of stereochemistry in the formation of the stereocentre vicinal to the stereogenic centre present in the starting aldehyde is seen when these compounds are used. A very high syn stereoselectivity was observed at room temperature, and a reversal of stereoselectivity to favour the formation of the anti product may be achieved at low temperature. Preliminary theoretical calculations support the hypothesis that the aldol‐type reaction is facilitated by the formation of a cyclic transition state, with concomitant silatropic migration from the ketene imine‐nitrogen to the aldehyde oxygen. The catalyst‐free aldol reaction has been applied to aromatic N‐trimethylsilyl ketene imines bearing two different aromatic groups. In these reactions, the diastereoselectivity for the stereocentre arising from aldehyde sp2 carbon remained extremely high, but the stereoselectivity for the formation of the new quaternary stereocentre was unsatisfactory.
Efficient Synthesis of Uracil‐Derived Hexa‐ and Tetrahydropyrido[2,3‐d]pyrimidines
Authors: Tolstoluzhsky Nikita , Nikolaienko Pavlo , Gorobets Nikolay , Van der Eycken Erik V. , Kolos Nadezhda
Published: July 2013

A reaction of 6‐amino‐1,3‐dimethyluracil with 3‐(hetero)aroylacrylic acids and their methyl esters leads to hexahydropyrido[2,3‐d]pyrimidine‐5‐carboxylic acids or the corresponding methyl esters in high to excellent yields. One‐pot oxidation of the acid derivatives with CAN is accompanied by decarboxylation to give tetrahydropyrido[2,3‐d]pyrimidines, while oxidation with bromine resulted in the formation of tetrahydropyrido[2,3‐d]pyrimidine‐5‐carboxylic acids. The aromatization of methyl hexahydropyrido[2,3‐d]pyrimidine‐5‐carboxylates was achieved by K2CO3‐mediated air oxidation under ambient conditions.
Experimental determination of fire heat release rate with OC and CDG calorimetry for ventilated compartments fire scenario
Authors: Pretrel H. , Le Saux W. , Audouin L.
Published: July 2013

This research deals with the experimental determination of the heat release rate (HRR) of fires in mechanically ventilated compartments based on oxygen consumption (OC) and carbon dioxide generation (CDG) calorimetry. It proposes formulations for fire in force‐ventilated compartments on the same basis as the relations established for hood calorimetry in an open atmosphere but considering inertia and unsteady behavior of the fire via the time variation mass of O2 and CO2 in the compartment. The value of the new formulations of HRR has been tested in two series of propane gas fire experiments performed in a large‐scale facility. The first series involves a fire scenario with one compartment, and the second series, a fire scenario with three compartments connected to each other by doorways. In the first test series, the OC and CDG formulations for HRR are assessed. In the second test series, the OC and CDG formulations are presented with two approaches to definition of the control volume: approach involving three rooms and the flow rate in the ventilation network and approach involving only the fire room and the flow rate through the doorways. On the basis of the fire experiments considered, the most accurate method (accuracy to within 10%) for determining the HRR is the CDG formulation with approach for the control volume without considering the flow rates at the doorways. This analysis points out the different features of each method (OC and CDG) and thoroughly discusses their advantages and drawbacks. The overall analysis allows guidelines to be formulated for fire HRR calculation in confined and ventilated compartments. Copyright © 2013 John Wiley & Sons, Ltd.
High‐order detached eddy simulation, zonal LES and URANS of cavity and labyrinth seal flows
Authors: Jefferson‐Loveday Richard J. , Nagabhushana Rao V. , Tyacke James C. , Tucker Paul G.
Published: July 2013

Hybrid numerical large eddy simulation (NLES), detached eddy simulation (DES) and URANS methods are assessed on a cavity and a labyrinth seal geometry. A high sixth‐order discretization scheme is used and is validated using the test case of a two‐dimensional vortex. The hybrid approach adopts a new blending function. For the URANS simulations, the flow within the cavity remains steady, and the results show significant variation between models. Surprisingly, low levels of resolved turbulence are observed in the cavity for the DES simulation, and the cavity shear layer remains two dimensional. The hybrid RANS–NLES approach does not suffer from this trait.

For the labyrinth seal, both the URANS and DES approaches give low levels of resolved turbulence. The zonal Hamilton–Jacobi approach on the other had given significantly more resolved content. Both DES and hybrid RANS–NLES give good agreement with the experimentally measured velocity profiles. Again, there is significant variation between the URANS models, and swirl velocities are overpredicted. Copyright © 2013 John Wiley & Sons, Ltd.
Observed variations in multidecadal Antarctic sea ice trends during 1979–2012
Authors: Simpkins Graham R. , Ciasto Laura M. , England Matthew H.
Published: July 2013

The spatiotemporal sensitivity of Antarctic sea ice season length trends are examined using satellite‐derived observations over 1979–2012. While the large‐scale spatial structure of multidecadal trends has varied little during the satellite record, the magnitude of trends has undergone substantial weakening over the past decade. This weakening is particularly evident in the Ross and Bellingshausen Seas, where a ∼25–50% reduction is observed when comparing trends calculated over 1979–2012 and 1979–1999. Multidecadal trends in the Bellingshausen Sea are found to be dominated by variability over subdecadal time scales, particularly the rapid decline in season length observed between 1979 and 1989. In fact, virtually no trend is detectable when the first decade is excluded from trend calculations. In contrast, the sea ice expansion in the Ross Sea is less influenced by shorter‐term variability, with trends shown to be more consistent at decadal time scales and beyond. Understanding these contrasting characteristics have implications for sea ice trend attribution.
Structure of the planetary boundary layer over Southeast England: Modeling and measurements
Authors: Xie Bo , Hunt J. C. R. , Carruthers D. J. , Fung J. C. H. , Barlow J. F.
Published: July 2013

The Weather Research and Forecasting model was applied to analyze variations in the planetary boundary layer (PBL) structure over Southeast England including central and suburban London. The parameterizations and predictive skills of two nonlocal mixing PBL schemes, YSU and ACM2, and two local mixing PBL schemes, MYJ and MYNN2, were evaluated over a variety of stability conditions, with model predictions at a 3 km grid spacing. The PBL height predictions, which are critical for scaling turbulence and diffusion in meteorological and air quality models, show significant intra‐scheme variance (> 20%), and the reasons are presented. ACM2 diagnoses the PBL height thermodynamically using the bulk Richardson number method, which leads to a good agreement with the lidar data for both unstable and stable conditions. The modeled vertical profiles in the PBL, such as wind speed, turbulent kinetic energy (TKE), and heat flux, exhibit large spreads across the PBL schemes. The TKE predicted by MYJ were found to be too small and show much less diurnal variation as compared with observations over London. MYNN2 produces better TKE predictions at low levels than MYJ, but its turbulent length scale increases with height in the upper part of the strongly convective PBL, where it should decrease. The local PBL schemes considerably underestimate the entrainment heat fluxes for convective cases. The nonlocal PBL schemes exhibit stronger mixing in the mean wind fields under convective conditions than the local PBL schemes and agree better with large‐eddy simulation (LES) studies.
An investigation of the role of sedimentation for stratospheric solar radiation management
Authors: Benduhn F. , Lawrence M. G.
Published: July 2013

Gravitational settling has been considered to be one of the limiting factors to stratospheric aerosol lifetime and therefore to the practicability and effectiveness of stratospheric solar radiation management (S‐SRM, which is one of the approaches being considered for planetary‐scale geoengineering or climate engineering). Given the property of numerical diffusion that is associated with sedimentation as a transport process on a discretized global grid, it is important to represent this process as accurately as possible. In this paper, newly developed sedimentation schemes are presented and validated against an analytical solution. Sensitivity studies with an aerosol chemistry general circulation model are conducted with monodisperse aerosol particles of fixed size and follow two main aims: first, to evaluate the relevance of sedimentation for the aerosol lifetime and distribution in the stratosphere as a function of particle size, and second, to explore the influence of numerical diffusion on these patterns. The relevance of sedimentation is explored further with respect to other relevant particle properties, such as shape and density. It is shown that the role of sedimentation in determining stratospheric particle lifetime is a complex function of all particle properties combined. Especially with respect to sulfate aerosol, the influence of sedimentation is conditioned by the temporal evolution of particle size. Although large enough particles for considerable sedimentation mediated removal are observed in the context of volcanic eruptions, it seems uncertain whether secondary particles of an equivalent size would be obtained in the context of S‐SRM, pointing to the need for an accurate representation of aerosol growth dynamics.
Characterization of a new pathovar of Agrobacterium vitis causing banana leaf blight in China
Authors: Huang Siliang , Long Mengling , Fu Gang , Lin Shanhai , Qin Liping , Hu Chunjin , Cen Zhenlu , Lu Jie , Li Qiqin
Published: July 2013

A new banana leaf blight was found in Nanning city, China, during a 7‐year survey (2003–2009) of the bacterial diseases on banana plants. Eight bacterial strains were isolated from affected banana leaves, and identified as an intraspecific taxon of Agrobacterium vitis based on their 16S rDNA sequence similarities with those of 37 randomly selected bacterial strains registered in GenBank database. The representative strain Ag‐1 was virulent on banana leaves and shared similar growth and biochemical reactions with the reference strain IAM14140 of A. vitis. The strains causing banana leaf blight were denominated as A. vitis pv. musae. The traditional A. vitis strains virulent to grapevines were proposed to be revised as A. vitis pv. vitis. This is the first record of a new type of A. vitis causing banana leaf blight in China.
High‐permittivity solid ceramic resonators for high‐field human MRI
Authors: Aussenhofer S. A. , Webb A. G.
Published: July 2013

The properties of a ceramic‐based annular dielectric resonator designed for 7 T MRI have been examined. Electromagnetic simulations and experimentally determined modal frequencies agree to within ~1%. The dependence of the resonance frequency of the degenerate quadrature HEM11 modes on hole diameter and shield diameter was also investigated. The constructed coil, with a 2.5 cm diameter hole, had an unloaded Q value of 400, which was reduced to 150 when loaded with a human finger. Simulated and experimental B1+ maps show a high degree of homogeneity with a sensitivity of ~11.5 μT/√W at the centre. A comparison with a loop gap resonator showed an approximately 25% higher sensitivity for the dielectric resonator. High‐resolution images of the digital interphalangeal (DIP) and proximal interphalangeal (PIP) joints of volunteers were acquired in imaging times of less than 2 min. Finally, novel methods of double tuning such ceramic resonators to two relatively close frequencies, e.g. proton and fluorine, have been shown. Copyright © 2013 John Wiley & Sons, Ltd.
Modal‐based goal‐oriented error assessment for timeline‐dependent quantities in transient dynamics
Authors: Verdugo F. , Parés N. , Díez P.
Published: July 2013

This article presents a new approach to assess the error in specific quantities of interest in the framework of linear elastodynamics. In particular, a new type of quantities of interest (referred as timeline‐dependent quantities) is proposed. These quantities are scalar time‐dependent outputs of the transient solution, which are better suited to time‐dependent problems than the standard scalar ones, frozen in time. The proposed methodology furnishes error estimates for both the standard scalar and the new timeline‐dependent quantities of interest. The key ingredient is the modal‐based approximation of the associated adjoint problems, which allows efficiently computing and storing the adjoint solution.

The approximated adjoint solution is readily post‐processed to produce an enhanced solution, requiring only one spatial post‐process for each vibration mode and using the time‐harmonic hypothesis to recover the time dependence. Thus, the proposed goal‐oriented error estimate consists in injecting this enhanced adjoint solution into the residual of the direct problem. The resulting estimate is very well suited for transient dynamic simulations because the enhanced adjoint solution is computed before starting the forward time integration of the direct problem. Thus, the cost of the error estimate at each time step is very low. Copyright © 2013 John Wiley & Sons, Ltd.
Graphene and graphite oxide based composites for application in energy systems
Authors: Singh Arvinder , Chandra Amreesh
Published: July 2013

Graphene composites with metal or ceramics are being widely investigated for applications in electronic and energy devices. In this paper, we report the chemical synthesis of graphene and graphite oxide (GO)/ZnO‐Ag composites for application in energy storage devices, viz., supercapacitors (SCs). Results of surface modification and morphological studies carried out using Raman spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) data are discussed. The electrochemical performance of these electrode materials in SCs have been investigated using electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and galvanostatic charge‐discharge techniques. Performance of the GO/ZnO‐Ag composite has been compared with that of the pure graphene in terms of achievable energy and power density. Results show that opening of the GO sheets with ZnO spacer allows storage of more charge than achievable in pure graphene. Silver acts as a catalyst to enhance electrochemically active sites in the electrode material as well as helps in maintaining reasonable electronic conductivity. This is an important feature for the development of high performance SCs since GO/ZnO‐Ag composite is a low‐cost reproducible material in comparison to graphene.
Site‐dependent excited state absorption in Ce‐doped CaGa2S4 single crystal
Authors: Uchiki Hisao , Honma Shinsaku , Tanaka Kunihiko , Hidaka Chiharu , Takizawa Takeo
Published: July 2013

Excited state absorption (ESA) by Ce3+ ions in the 5d1 lowest excited state in Ce‐doped CaGa2S4 single crystal was investigated by nanosecond two‐pulse pump‐CW probe spectroscopy. The first pump pulse of 425 nm excited the 4f ground state electron to the 5d1 first excited state and the second pump pulse of 589 nm was introduced at 13 ns after the first pump in order to selectively excite the 5d1 state. Transient intensity change of the CW probe of a diode laser of 780 nm was observed. Temporal behavior of photoluminescence intensity by the 5d1 to 4f state transition was also observed under excitation of the same two‐pulse pump.

The experimental results can be explained by the model of site‐dependent excited state absorption. The photoluminescence is generated from the 5d1 states of Ce3+ at two sites with different decay time, whereas the excited state absorption takes place mainly from Ce3+ at one site as well as metastable Ce2+. The model predicts that optical gain by the 5d1 to 4f transition can be achieved by Ce3+ at the other site if the populations at both the 5d1 state of Ce3+ at the site resulting in ESA and Ce2+ can be bleached by simultaneous secondary optical pumping with an IR (e.g. Nd:YAG) laser. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
One‐move convertible nominative signature in the standard model
Authors: Liu Dennis Y. W. , Wong Duncan S.
Published: July 2013

A nominative signature (NS) is a non‐self‐authenticating signature that is jointly generated by a signer (or a nominator) and a user (or a nominee), but once generated, its validity can only be determined by the user. No one else including the signer can tell the signature's validity unless the user confirms or disavows so, whereas the user cannot cheat either. One‐move NS is an efficient type of NS that requires the signer to send only one message to the user during the signature generation stage. Currently, there exists only one one‐move NS scheme that is proven secure in the standard model, and is convertible, that is, the user can transform a nominative signature to a publicly verifiable standard signature without the signer's aid. However, the number of elements in the keys of both signer and user grows linearly with the value of the security parameter. In this paper, we propose a new one‐move NS which is convertible, can be proven secure in the standard model, and also has a constant number of elements in the keys of both the signer and the user. We apply the Boneh–Boyen short standard signature in a novel way to build this nominative signature scheme. We show that this new scheme achieves the best performance among all the schemes proven secure in the standard model, and its security relies only on the standard q‐strong Diffie–Hellman and decisional Diffie–Hellman assumptions. Finally, we will present a generic construction by utilizing a secure standard signature scheme and a secure encryption scheme. Copyright © 2013 John Wiley & Sons, Ltd.
Posttraumatic Stress Symptoms and Cortisol Regulation in Mothers of Very Preterm Infants
Authors: Habersaat Stephanie , Borghini Ayala , Nessi Jennifer , Pierrehumbert Blaise , Forcada‐Guex Margarita , Ansermet François , Müller‐Nix Carole
Published: July 2013

Previous studies have found that mothers of very preterm infants often report symptoms of posttraumatic stress, which has been related to cortisol dysregulation. However, the exact nature of this association is not clear and can be different regarding the predominance of some specific symptoms of posttraumatic stress, as suggested by a recent model. The objective of the present study is to assess the association between diurnal salivary cortisol and posttraumatic stress symptoms in mothers of very preterm infants. Seventy‐four mothers of very preterm infants were included in the study. Mothers' cortisol regulation and posttraumatic stress symptoms were evaluated 12 months after child theoretical term (40 weeks of gestation). Results showed an association between higher re‐experiencing symptoms and flatter cortisol slopes. These results may help to understand differences found in studies assessing the relation between severity of posttraumatic stress and cortisol levels, by supporting the symptoms' theory. Copyright © 2013 John Wiley & Sons, Ltd.
Do analysts add value when they most can? Evidence from corporate spin‐offs
Authors: Feldman Emilie R. , Gilson Stuart C. , Villalonga Belén
Published: July 2013

This article investigates how securities analysts help investors understand the value of diversification. By studying the research that analysts produce about companies that have announced corporate spin‐offs, we gain unique insights into how analysts portray diversified firms to the investment community. We find that while analysts' research about these companies is associated with improved forecast accuracy, the value of their research about the spun‐off subsidiaries is more limited. For both diversified firms and their spun‐off subsidiaries, analysts' research is more valuable when information asymmetry between the management of these entities and investors is higher. These findings contribute to the corporate strategy literature by shedding light on the roots of the diversification discount and by showing how analysts' research enables investors to overcome asymmetric information. Copyright © 2013 John Wiley & Sons, Ltd.
Klinik und Genetik des familiären Brust- und Eierstockkrebses
Authors: Meindl A. , Rhiem K. , Engel C. , Ditsch N. , Kast K. , Hahnen E. , Schmutzler R.K.
Published: July 2013

Während mit der Entdeckung der Hochrisikogene „breast cancer 1“ (BRCA1) und „breast cancer 2“ (BRCA2) in den Jahren 1994/1995 die Erforschung des hereditären Mamma- und Ovarialkarzinoms zunächst beendet schien, belegen neuere Ergebnisse, dass das hereditäre Mamma- und Ovarialkarzinom eine extreme genetische Heterogenität aufweist. Die genetisch definierten Subtypen zeigen außerdem eine unterschiedliche phänotypische Ausprägung hinsichtlich der histopathologischen Charakteristika, des Krankheitsverlaufs und des Therapieansprechens. Dies erfordert eine Einbettung der Gendiagnostik in ein strukturiertes und standardisiertes Betreuungskonzept, das es erlaubt prospektive Daten zur Tumorinzidenz und zum Verlauf zu erfassen sowie in prospektiven Studien die Wertigkeit der verschiedenen diagnostischen, präventiven und neuen therapeutischen Optionen zu validieren. Das deutsche Konsortium widmet sich dieser Aufgabenstellung, um den betreffenden Familien effiziente Präventions- und Interventionsstrategien anbieten zu können. Dabei kommt der Zusammenarbeit mit der Selbsthilfe (http://www.BRCA-Netzwerk.de) mittlerweile eine große Bedeutung zu, die uns immer wieder vor Augen hält, wie wichtig es ist, den in diesem Artikel aufgeworfenen Fragestellungen nachzugehen.
Morbus Huntington und Huntington-ähnliche Erkrankungen
Authors: Nguyen H.P.
Published: July 2013

Der M. Huntington (Huntington-Chorea, Huntington disease, HD) ist die Hauptursache für eine hereditäre Chorea und ist gekennzeichnet durch die klinische Trias aus Bewegungsstörung, psychiatrischen Auffälligkeiten und kognitiven Leistungseinbußen. Neben der HD gibt es mehrere Erkrankungen, die mit einem HD-Phänotyp einhergehen und klinisch nur schwer von der HD zu unterscheiden sind, die sog. HD-ähnlichen Erkrankungen. Diese seltenen Erkrankungen wurden als HD-“like“(L)1 bis HDL4 bezeichnet. Mittlerweile sind pathogene Mutationen im Prionprotein(PRNP)-Gen (HDL1), im „Junctophilin“-3(JPH3)-Gen (HDL2) und im TATA-box-bindendes-Protein(TBP)-Gen (Synonym SCA17, HDL4) identifiziert worden. Darüber hinaus gibt es eine Reihe von Erkrankungen, die gelegentlich mit einem HD-Phänotyp imponieren, auch wenn i. d. R. andere Symptome vorherrschen. Diese Erkrankungen (u. a. spinozerebelläre Ataxien (SCA), dentatorubrale-pallidoluysiale Atrophie (DRPLA), Neuroferritinopathie, Chorea-Akanthozytose, benigne Chorea) müssen differenzialdiagnostisch in Betracht gezogen werden, wenn die HD bei einem Indexpatienten mit typischer Symptomatik molekulargenetisch nicht bestätigt werden kann. In diesem Artikel wird daher eine Übersicht über die wichtigsten Erkrankungen gegeben, die mit einem HD-Phänotyp in der Klinik vorstellig werden können. Zudem werden diagnostische Indikatoren aufgezeigt, die bei der Differenzialdiagnose helfen könnten.
isomiRex: Web‐based identification of microRNAs, isomiR variations and differential expression using next‐generation sequencing datasets
Authors: Sablok Gaurav , Milev Ivan , Minkov Georgi , Minkov Ivan , Varotto Claudio , Yahubyan Galina , Baev Vesselin
Published: July 2013

We present an open‐access web platform isomiRex, to identify isomiRs and on the fly graphical visualization of the differentially expressed miRNAs in control as well as treated library. The open‐access web‐platform is not restricted only to NGS sequence dataset from animals and potentially analyzes a wider dataset for plants, animals and viral NGS dataset supporting miRBase (version 19 supporting 193 species). The platform can handle the bloated amount of the read counts and reports the annotated microRNAs from plant, animal and viral NGS datasets. isomiRex also provides an estimation of the the isomiRs, of miRNAs with higher copy number relative to their mature reference sequences indexed in miRBase (version 19 supporting 193 species). Visually enhanced graphs potentially display differentially expressed isomiRs, which will help the user to demonstrate and correlate the abundance of the isomiR as a signature event to the specific condition. An additional module for estimating the differential expression has been implemented allowing the users to postulate the differential expression across the user input samples. The developed web‐platform can be accessed at http://bioinfo1.uni‐plovdiv.bg/isomiRex/.
A retrospective case series of suicide attempts leading to hospice admission
Authors: Fairman Nathan , Irwin Scott A.
Published: July 2013

Objective:

This investigation sought to systematically identify and characterize a cohort of patients treated in hospice for life-limiting injuries sustained in a suicide attempt that was not immediately lethal.

Method:

We developed a case series of all completed suicides in a large, community-based hospice, from 2004 through 2010. Clinical documentation and county medical examiner reports were used to identify those deaths that resulted from a suicide attempt made prior to hospice admission. Cases were characterized in terms of basic demographic variables, the temporal sequence of events in the transition from hospital care to hospice, the mechanism of injury and medical complications, the presence of mental illness, and family involvement in decision making.

Results:

Out of a total of 20,887 hospice deaths during the study period, 8 deaths resulted from an incomplete suicide attempt made prior to hospice admission. Subjects were nearly all male (6/8), and 46 years old on average; substantially younger than the general hospice population. Drug overdose was the most common method of suicide (5/8), and irreversible anoxic brain injury was the main medical complication. The majority of subjects (6/8) had evidence of serious mental illness. Most cases were complicated by estranged family relationships; however, family members were involved in end-of-life decision making for nearly all patients.

Significance of results:

Whereas a failed suicide attempt leading to hospice appears to be a relatively rare event, patients in this population appear unique in several regards. Further study may serve to better characterize this group and prepare hospice agencies and clinicians for caring for this unique population.
Thiamine Status in Patients Undergoing Lower Extremity Amputation due to Diabetic Foot Lesion
Authors: Kursat Dabak T. , Ozdemir Hakan , Feyyaz Akyıldız F.
Published: July 2013

The aim of this study was to determine the thiamine status in patients undergoing major lower limb amputation due to diabetic foot lesion. Ten patients with diabetic foot lesion, ten diabetic patients without foot lesion, and ten non-diabetic patients were included in the study. Thiamine status was determined as thiamine pyrophosphate (TPP) effect. The mean TPP effect values of diabetes mellitus foot lesion (DM foot) , DM control, and non-diabetic control groups were 16.160 ± 3.276, 13.610 ± 1.767, and 6.912 ± 2.005 respectively. There was a statistically significant difference between the DM foot and non-diabetic control groups. Although the mean TPP value of the DM foot group was slightly higher than the DM control group, it was not significant. Since transketolase enzyme is thought to be one of the key points in development of diabetic complications, to lessen the diabetic complication by maximizing the transketolase function, we recommend regular supply of thiamine to the diabetic population.
Vascular accesses for hemodialysis - an update
Authors: Thalhammer Christoph , Pfammatter Thomas , Segerer Stephan
Published: July 2013

During the last two decades the prevalence of patients needing chronic renal replacement therapy has increased progressively. Furthermore, the dialysis population has significantly changed. Patients are older, have multiple comorbidities, and have a particularly high cardio-vascular risk. Therefore, the prerequisites for the formation of fistulae have become worse. Many centres (including our own) have formed interdisciplinary vascular access teams to provide an optimal service for these patients. Herein, we review recent studies regarding the diagnostic and therapeutic approaches for access failure. As many clinical decisions remain opinion -based we also include our personal approach resulting from regular interdisciplinary board meetings.
Periprocedural risk and long-term outcome of intracranial angioplasty based on a single-centre experience
Authors: Krajíčková Dagmar , Krajina Antonín , Lojík Miroslav , Mulačová Martina , Vališ Martin
Published: July 2013

Background: Intracranial atherosclerotic stenosis is a major cause of stroke and yet there are currently no proven effective treatments for it. The SAMMPRIS trial, comparing aggressive medical management alone with aggressive medical management combined with intracranial angioplasty and stenting, was prematurely halted when an unexpectedly high rate of periprocedural events was found in the endovascular arm. The goal of our study is to report the immediate and long-term outcomes of patients with ≥ 70 % symptomatic intracranial atherosclerotic stenosis treated with balloon angioplasty and stent placement in a single centre. Patients and methods: This is a retrospective review of 37 consecutive patients with 42 procedures of ballon angioplasty and stenting for intracranial atherosclerotic stenosis (≥ 70 % stenosis) treated between 1999 and 2012. Technical success (residual stenosis ≤ 50 %), periprocedural success (no vascular complications within 72 hours), and long-term outcomes are reported. Results: Technical and periprocedural success was achieved in 90.5 % of patients. The within 72 hours periprocedural stroke/death rate was 7.1 % (4.8 % intracranial haemorrhage), and the 30-day stroke/death rate was 9.5 %. Thirty patients (81 %) had clinical follow-up at ≥ 6 months. During follow-up, 5 patients developed 6 ischemic events; 5 of them (17 %) were ipsilateral. The restenosis rate was 27 %, and the retreatment rate was 12 %. Conclusions: Our outcomes of the balloon angioplasty/stent placement for intracranial atherosclerotic stenosis are better than those in the SAMMPRIS study and compare favourably with those in large registries and observational studies.