bluuebunny/crossref_metadata_2025 huggingface dataset:
The Illusion of Democratic Credibility
Authors: Downes Alexander B. , Sechser Todd S.
Published: July 2012

Do democracies make more effective coercive threats? An influential literature in international relations argues that democratic institutions allow leaders to credibly signal their resolve in crises, thereby making their threats more likely to work than threats by nondemocracies. This article revisits the quantitative evidence for this proposition, which we call the “democratic credibility hypothesis,” and finds that it is surprisingly weak. Close examination of the data sets most commonly used to test this hypothesis reveals that they contain few successful democratic threats, or indeed threats of any kind. Moreover, these data sets' outcome variables do not properly measure the effectiveness of threats, and therefore yield misleading results. The article then reassesses the democratic credibility hypothesis using the Militarized Compellent Threats data set, a new data set designed specifically to test hypotheses about the effectiveness of coercive threats. The analysis indicates that threats from democracies are no more successful than threats from other states.
Emission characteristics of black carbon in anthropogenic and biomass burning plumes over California during ARCTAS‐CARB 2008
Authors: Sahu L. K. , Kondo Y. , Moteki N. , Takegawa N. , Zhao Y. , Cubison M. J. , Jimenez J. L. , Vay S. , Diskin G. S. , Wisthaler A. , Mikoviny T. , Huey L. G. , Weinheimer A. J. , Knapp D. J.
Published: July 2012

The impact of aerosols on regional air quality and climate necessitates improved understanding of their emission and microphysical properties. The size distributions of black carbon (BC) and light scattering particles (LSP) were measured with a single particle soot photometer on board the NASA DC‐8 aircraft during the ARCTAS mission 2008. Air sampling was made in the air plumes of both urban and forest fire emissions over California during the CARB (California Air Resources Board) phase of the mission. A total of eleven plumes were identified using SO2and CH3CN tracers for fossil fuel (FF) combustion and biomass burning (BB), respectively. The enhancements of BC and LSP in BB plumes were significantly higher compared to those in FF plumes. The average mass concentration of BC in BB plumes was more than twice that in FF plumes. Except for the BC/CO ratio, distinct emission ratios of BC/CO2, BC/CH3CN, CH3CN/CO, and CO/CO2were observed in the plumes from the two sources. Similarly, the microphysical properties of BC and LSP also showed distinct behaviors. The BC count median diameter (CMD) of 115 ± 5 nm in FF plumes was smaller compared to 141 ± 9 nm in the BB plumes. BC aerosols were thickly coated in BB plumes, the average shell/core ratios were 1.47 and 1.24 in BB and FF plumes, respectively. In the total mass of submicron aerosols, organic aerosols constituted about 67% in the FF plumes and 84% in BB plumes. The contribution of sulfate was also significant in the FF plumes.
Beyond receiver functions: Passive source reverse time migration and inverse scattering of converted waves
Authors: Shang Xuefeng , de Hoop Maarten V. , van der Hilst Robert D.
Published: July 2012

We present a wave equation prestack depth migration to image crust and mantle structures using multi‐component earthquake data recorded at dense seismograph arrays. TransmittedP and Swaves recorded on the surface are back propagated using an elastic wave equation solver. The wave modes are separated after the reverse‐time continuation of the wavefield from the surface, and subjected to a (cross‐correlation type) imaging condition forming an inverse scattering transform. Reverse time migration (RTM) does not make assumptions about the presence or properties of interfaces – notably, it does not assume that interfaces are (locally) horizontal. With synthetic experiments, and different background models, we show that passive source RTM can reconstruct dipping and vertically offset interfaces even in the presence of complex wave phenomena (such as caustics and point diffraction) and that its performance is superior to traditional receiver function analysis, e.g., common conversion point (CCP) stacking, in complex geological environments.
Cloud base and top heights in the Hawaiian region determined with satellite and ground‐based measurements
Authors: Zhang Chunxi , Wang Yuqing , Lauer Axel , Hamilton Kevin , Xie Feiqin
Published: July 2012

We present a multi‐year climatology of cloud‐base‐height (CBH), cloud‐top‐height (CTH), and trade wind inversion base height (TWIBH) for the Hawaiian region (18°N–22.5°N, 153.7°W–160.7°W). The new climatology is based on data from the Cloud‐Aerosol Lidar and Infrared Pathfinder Satellite (CALIPSO), the Constellation Observing System for Meteorology Ionosphere and Climate (COSMIC), ceilometer observations and radiosondes. The climatology reported here is well suited to evaluate climate model simulations and can serve as a reference state for studies of the impact of climate change on Hawaiian ecosystems. The averaged CBH from CALIPSO in the Hawaiian Region is 890 m. The mean CTH from CALIPSO is 2110 m, which is close to the mean TWIBH from COSMIC. For non‐precipitating cases, the mean TWIBH at both Lihue and Hilo is close to 2000 m. For precipitating cases, the mean TWIBH is 2450 m and 2280 m at Hilo and Lihue, respectively. The potential cloud thickness (PCT) is defined as the difference between TWIBH and CBH and the mean PCT is several hundred meters thicker for precipitating than for the non‐precipitating cases at both stations. We find that the PCT is more strongly correlated to the TWIBH than the CBH and that precipitation is unlikely to occur if the TWIBH is below 1500 m. The observed rainfall intensity is correlated to the PCT, i.e., thicker clouds are more likely to produce heavy rain.
Assessing surface water consumption using remotely‐sensed groundwater, evapotranspiration, and precipitation
Authors: Anderson Ray G. , Lo Min‐Hui , Famiglietti James S.
Published: July 2012

Estimates of consumptive use of surface water by agriculture are vital for assessing food security, managing water rights, and evaluating anthropogenic impacts on regional hydrology. However, reliable, current, and public data on consumptive use can be difficult to obtain, particularly in international and less developed basins. We combine remotely‐sensed precipitation and satellite observations of evapotranspiration and groundwater depletion to estimate surface water consumption by irrigated agriculture in California's Central Valley for the 2004–09 water years. We validated our technique against measured consumption data determined from streamflow observations and water export data in the Central Valley. Mean satellite‐derived surface water consumption was 291.0 ± 32.4 mm/year while measured surface water consumption was 308.1 ± 6.5 mm/year. The results show the potential for remotely‐sensed hydrologic data to independently observe irrigated agriculture's surface water consumption in contested or unmonitored basins. Improvements in the precision and spatial resolution of satellite precipitation, evapotranspiration and gravimetric groundwater observations are needed to reduce the uncertainty in this method and to allow its use on smaller basins and at shorter time scales.
Organismal regulation of XBP‐1‐mediated unfolded protein response during development and immune activation
Authors: Sun Jingru , Liu Yiyong , Aballay Alejandro
Published: July 2012

The increased demand on protein folding in the endoplasmic reticulum (ER) during bacterial infection activates the unfolded protein response (UPR). OCTR‐1—a G protein‐coupled catecholamine receptor expressed in neurons—suppresses innate immunity by downregulating a non‐canonical UPR pathway and the p38 MAPK pathway. Here, we show that OCTR‐1 also regulates the canonical UPR pathway, which is controlled by XBP‐1, at the organismal level. Importantly, XBP‐1 is not under OCTR‐1 control during development, only at the adult stage. Our results indicate that the nervous system temporally controls the UPR pathway to maintain ER homeostasis during development and immune activation.
Dendritic spines: from structure to in vivo function
Authors: Rochefort Nathalie L , Konnerth Arthur
Published: July 2012

Dendritic spines arise as small protrusions from the dendritic shaft of various types of neuron and receive inputs from excitatory axons. Ever since dendritic spines were first described in the nineteenth century, questions about their function have spawned many hypotheses. In this review, we introduce understanding of the structural and biochemical properties of dendritic spines with emphasis on components studied with imaging methods. We then explore advances in in vivo imaging methods that are allowing spine activity to be studied in living tissue, from super‐resolution techniques to calcium imaging. Finally, we review studies on spine structure and function in vivo. These new results shed light on the development, integration properties and plasticity of spines.
Lipids as organizers of cell membranes
Authors: Kornmann Benoît , Roux Aurélien
Published: July 2012

The 105th Boehringer Ingelheim Fonds International Titisee Conference ‘Lipids as Organizers of Cell Membranes’ took place in March 2012, in Germany. Kai Simons and Gisou Van der Goot gathered cell biologists and biophysicists to discuss the interplay between lipids and proteins in biological membranes, with an emphasis on how technological advances could help fill the gap in our understanding of the lipid part of the membrane.
Coupled slope and wind effects on fire spread with influences of fire size: a numerical study using FIRETEC
Authors: Pimont F. , Dupuy J.-L. , Linn R. R.
Published: July 2012

Wind and slope are commonly accepted to be major environmental factors affecting the manner in which wildfires propagate. Fire-line width has been observed as having a significant effect on fire behaviour in some experimental fires. Most wildfire behaviour models and fire behaviour prediction systems take wind and slope effects into account when determining the rate of spread, but do not take into account the influence of fire width on the coupled effects of slope and wind. In the present study, the effect of topographic slope on rate of spread under weak (1 m s–1), moderate (5 m s–1) and strong (12 m s–1) wind speeds is investigated for two different initial fire widths (20 and 50 m) in a typical Mediterranean garrigue, using the coupled atmosphere–fire HIGRAD-FIRETEC model. The results show non-trivial combined effects and suggest a strong effect of fire width under low-wind conditions, especially for steep slopes. Simulated spread rates were compared with predictions of existing models of operational systems and a reasonable agreement was found. Additional exploratory simulations of fire behaviour in small canyons are provided. These simulations show how combined effects of wind, slope and fire-front size can induce different fire behaviours that operational models could fail to predict and provide insight that could be valuable for analysis of blow-up fires. These preliminary results also suggest that 3D physically based models could be used in the future to investigate how operational models can include non-local effects of fire propagation.
Effect of Stocking Density on Growth Performance and Yield of Subadult Pacific Red Snapper Cultured in Floating Sea Cages
Authors: Castillo-Vargasmachuca S , Ponce-Palafox J T , García-Ulloa M , Arredondo-Figueroa J L , Ruiz-Luna A , Chávez E A , Tacon A G
Published: July 2012

A preliminary assessment of growth performance and yield of subadult Pacific red snapper Lutjanus peru raised in floating sea cages was conducted by measuring fish length, weight, feed conversion, and survival rate during a 120-d grow-out trial at Punta el Caballo Beach, Nayarit State, Mexico. Nine floating cages (12.5-m3 capacity) were used as experimental units. Fish were stocked in triplicate treatment cages at 30, 50, and 70 fish/m3 (1.9, 3.3, and 4.4 kg/m3, respectively) using more than 5,600 wild subadults (mean initial weight ±SD = 63.9 ± 1.4 g) as initial fish stock. Fish were fed twice per day with a sinking commercial pellet, and dissolved oxygen, temperature, pH, transparency, and ammonia nitrogen in each cage were recorded weekly. After 120 d, the mean individual weight at harvest was inversely related to stocking density. Mean final weight, weight gain, and specific growth rate differed among groups, with the highest values recorded for the 30-fish/m3 density (233.4 ± 5.3 g [mean ± SD], 1.4 g/d, and 1.1% per day, respectively). Mean final body length, feed conversion, condition index, and survival did not differ among density treatments. Net yield (mean ± SD) ranged from 5.0 ± 0.2 kg/m3 (30-fish/m3 treatment) to 7.9 ± 0.3 kg/m3 (70-fish/m3 treatment) and differed among the treatments. Considering the initial biomass and density, the 70-fish/m3 treatment produced a higher total biomass (mean ± SD = 152.9 ± 2.4 kg) but a lower average weight than the 50- and 30-fish/m3 treatments. Our findings suggest that at all stocking densities tested, subadult Pacific red snapper will grow in floating sea cages without significant mortalities. A benefit–cost analysis must be achieved to define the best treatment in economic terms.
Evaluation of the Cortisol Stress Response in a Marine Perciform Fish, the San Pedro Oplegnathus insignis
Authors: Tapia Pablo J , Puebla Mariela C , Muñoz Avelino , Rojas Elizabet , Marchant Christopher M , Cornejo Marco A , Futagawa Masatoshi , Small Brian C
Published: July 2012

The San Pedro (also known as the Pacific beakfish) Oplegnathus insignis is a species of perciform fish found in the eastern Pacific Ocean. In northern Chile, San Pedro are an important food fish currently being evaluated for aquaculture. The purpose of this study was to conduct an initial evaluation of the cortisol stress response in captive-bred San Pedro. The fish were subjected to confinement stress by crowding them into a low volume of water (231 kg/m3) for 90 min. Blood was collected over time for the determination of plasma cortisol. Confinement resulted in a significant increase in plasma cortisol, from a resting concentration of 24.9 ng/mL to 120.7 ng/mL after 10 min into the stress experience. After 20 and 60 min of stress, cortisol concentrations plateaued at 225.3 ng/mL and 243.7 ng/mL, respectively, followed by a decrease to 56.1 ng/mL by 90 min. These results indicate a rapid and robust cortisol stress response in this species. This is the first evaluation of the San Pedro stress response, and these data will serve as the baseline for future evaluations of San Pedro stress physiology and the development of aquaculture techniques suitable for this species.
The influence of socio‐demographic indicators economic determinants and social recognition on sport participation in Germany
Authors: Hallmann Kirstin , Breuer Christoph
Published: July 2012

This article analyses sport participation using a demographic‐economic model which was extended by the construct ‘social recognition’. Social recognition was integrated into the model on the understanding that it is the purpose of each individual to maximise his or her utility. A computer‐assisted telephone interview survey was conducted in the city of Rheinberg, Germany, producing an overall sample of n=1934. Regression analyses were performed to estimate the impact of socio‐demographic, economic determinants, and social recognition on sport participation. The results suggest that various socio‐economic factors and social recognition are important determinants of sport participation on the one hand, and on sport frequency on the other. Social recognition plays a significant yet different role for both sport participation and sport frequency. While friends’ involvement with sport influences one's sport participation, parents’ involvement with sport influences one's sport frequency.
Transcranial magnetic stimulation in sport science: A commentary
Authors: Goodall Stuart , Howatson Glyn , Romer Lee , Ross Emma
Published: July 2012

The aim of this commentary is to provide a brief overview of transcranial magnetic stimulation (TMS) and highlight how this technique can be used to investigate the acute and chronic responses of the central nervous system to exercise. We characterise the neuromuscular responses to TMS and discuss how these measures can be used to investigate the mechanisms of fatigue in response to locomotor exercise. We also discuss how TMS might be used to study the corticospinal adaptations to resistance exercise training, with particular emphasis on the responses to shortening/lengthening contractions and contralateral training. The limited data to date suggest that TMS is a valuable technique for exploring the mechanisms of central fatigue and neural adaptation.
Double graphene-layer plasma resonances terahertz detector
Authors: Ryzhii V , Otsuji T , Ryzhii M , Shur M S
Published: July 2012

We propose a detector of terahertz radiation based on a double graphene-layer heterostructure utilizing the tunnelling between graphene layers and the resonant excitation of plasma oscillations (standing plasma waves). Using the developed device model, we substantiate the detector operation and calculate the spectral characteristics. It is shown that the detector responsivity exhibits the resonant peaks when the frequency of incoming terahertz radiation approaches the resonant plasma frequencies. These frequencies are tuned by the bias voltage. The height of the responsivity resonant peaks in sufficiently perfect double graphene-layer heterostructures can markedly exceed those in the resonant plasma–wave detectors based on the standard heterostructures and utilizing the plasma hydrodynamic nonlinearity.
Graphene-based devices in terahertz science and technology
Authors: Otsuji T , Boubanga Tombet S A , Satou A , Fukidome H , Suemitsu M , Sano E , Popov V , Ryzhii M , Ryzhii V
Published: July 2012

Graphene is a one-atom-thick planar sheet of a honeycomb carbon crystal. Its gapless and linear energy spectra of electrons and holes lead to nontrivial features such as giant carrier mobility and broadband flat optical response. In this paper, recent advances in graphene-based devices in terahertz science and technology are reviewed. First, the fundamental basis of the optoelectronic properties of graphene is introduced. Second, synthesis and crystallographic characterization of graphene material are described, particularly focused on the authors' original heteroepitaxial graphene-on-silicon technology. Third, nonequilibrium carrier relaxation and recombination dynamics in optically or electrically pumped graphene are described to introduce a possibility of negative-dynamic conductivity in a wide terahertz range. Fourth, recent theoretical advances towards the creation of current-injection graphene terahertz lasers are described. Fifth, the unique terahertz dynamics of the two-dimensional plasmons in graphene are described. Finally, the advantages of graphene devices for terahertz applications are summarized.
A plasmonic staircase nano-antenna device with strong electric field enhancement for surface enhanced Raman scattering (SERS) applications
Authors: Li Ziyuan , Hattori Haroldo T , Parkinson Patrick , Tian Jie , Fu Lan , Tan Hark Hoe , Jagadish Chennupati
Published: July 2012

In this paper, a staircase plasmonic nano-antenna device is analysed both theoretically and experimentally. The tapered nano-antenna cavity with a grating leads to electric field enhancement factor (EF) as high as 31 close to 830 nm. The integration of a metallic grating aids the coupling of light coming from the vertical direction to the nano-antenna, increasing the electric field in the nano-antenna by a factor of 3. The smallest air gap width between the metallic regions of the fabricated nano-antenna is about 35 nm, fabricated using focused ion beam system. The small air gaps in the nano-antennas can generate very high intensity electric fields which can be used in applications in biological sensing and imaging, nanoparticle manipulations and enhancement of nonlinear effects. In this paper, to experimentally demonstrate that with the integration of a well designed grating and reflectors, the resonance inside the nano-antenna cavity is increased significantly, we exploit one application of this device: the enhancement of surface enhanced Raman scattering (SERS). The present structure can lead to SERS EFs above 1 million.
Study of an ablation-dominated arc in a model circuit breaker
Authors: Eichhoff D , Kurz A , Kozakov R , Gött G , Uhrlandt D , Schnettler A
Published: July 2012

A switching arc in a model circuit breaker is studied by means of CFD simulations and optical emission spectroscopy. The arc is initiated between tungsten–copper electrodes in a carbon dioxide atmosphere and is led through PTFE (polytetrafluorethylene) nozzles. Radiation emitted by the arc plasma is absorbed by the surface of the nozzles leading to ablation of the wall material. The CFD simulations are based on a model of the arcing zone including a consistent treatment of the radiation transport and wall ablation. Carbon ion line radiation is analysed in the experiment using an optical path in the heating channel between the nozzles. Temperature profiles obtained from spectroscopy and simulations are compared. The pressure value in the arc is estimated based on the line width-intensity dependence. The obtained values correspond to the measured pressure outside the arc. Coincidence in temperature for the peak current and discrepancy on the falling edge are found and discussed.
iBBiG: iterative binary bi-clustering of gene sets
Authors: Gusenleitner Daniel , Howe Eleanor A. , Bentink Stefan , Quackenbush John , Culhane Aedín C.
Published: July 2012

Motivation: Meta-analysis of genomics data seeks to identify genes associated with a biological phenotype across multiple datasets; however, merging data from different platforms by their features (genes) is challenging. Meta-analysis using functionally or biologically characterized gene sets simplifies data integration is biologically intuitive and is seen as having great potential, but is an emerging field with few established statistical methods.

Results: We transform gene expression profiles into binary gene set profiles by discretizing results of gene set enrichment analyses and apply a new iterative bi-clustering algorithm (iBBiG) to identify groups of gene sets that are coordinately associated with groups of phenotypes across multiple studies. iBBiG is optimized for meta-analysis of large numbers of diverse genomics data that may have unmatched samples. It does not require prior knowledge of the number or size of clusters. When applied to simulated data, it outperforms commonly used clustering methods, discovers overlapping clusters of diverse sizes and is robust in the presence of noise. We apply it to meta-analysis of breast cancer studies, where iBBiG extracted novel gene set—phenotype association that predicted tumor metastases within tumor subtypes.

Availability: Implemented in the Bioconductor package iBBiG

Contact:  aedin@jimmy.harvard.edu
Global transmission of influenza viruses from humans to swine
Authors: Nelson Martha I. , Gramer Marie R. , Vincent Amy L. , Holmes Edward C.
Published: July 2012

To determine the extent to which influenza viruses jump between human and swine hosts, we undertook a large-scale phylogenetic analysis of pandemic A/H1N1/09 (H1N1pdm09) influenza virus genome sequence data. From this, we identified at least 49 human-to-swine transmission events that occurred globally during 2009–2011, thereby highlighting the ability of the H1N1pdm09 virus to transmit repeatedly from humans to swine, even following adaptive evolution in humans. Similarly, we identified at least 23 separate introductions of human seasonal (non-pandemic) H1 and H3 influenza viruses into swine globally since 1990. Overall, these results reveal the frequency with which swine are exposed to human influenza viruses, indicate that humans make a substantial contribution to the genetic diversity of influenza viruses in swine, and emphasize the need to improve biosecurity measures at the human–swine interface, including influenza vaccination of swine workers.
Vaccinia virus protein C4 inhibits NF-κB activation and promotes virus virulence
Authors: Ember Stuart W. J. , Ren Hongwei , Ferguson Brian J. , Smith Geoffrey L.
Published: July 2012

Vaccinia virus (VACV) strain Western Reserve protein C4 has been characterized and its function and contribution to virus virulence assessed. Bioinformatic analysis showed that C4 is conserved in six orthopoxvirus species and shares 43 % amino acid identity with VACV protein C16, a known virulence factor. A recombinant VACV expressing a C-terminally tagged version of C4 showed that, like C16, this 37 kDa protein is expressed early during infection and localizes to both the cytoplasm and the nucleus. Functional assays using a firefly luciferase reporter plasmid under the control of a nuclear factor kappa B (NF-κB)-dependent promoter demonstrated that C4 inhibits NF-κB activation at, or downstream of, the inhibitor of kappa kinase (IKK) complex. Consistent with this, C4 inhibited interleukin-1β-induced translocation of p65 into the nucleus. A VACV lacking the C4L gene (vΔC4) showed no significant differences from wild-type virus in growth kinetics or spread in cell culture, but had reduced virulence in a murine intranasal model of infection. vΔC4-infected mice exhibited fewer symptoms, lost less weight and recovered 7 days earlier than animals infected with control viruses expressing C4. Furthermore, bronchoalveolar lavage fluid from vΔC4-infected mice had increased cell numbers at day 5 post-infection, which correlated with reduced lung virus titres from this time onward. C4 represents the ninth VACV protein to inhibit NF-κB activation and remarkably, in every case examined, loss of each protein individually caused an alteration in virus virulence, despite the presence of other NF-κB inhibitors.
A fast methodology to determine the characteristics of thousands of grains using three-dimensional X-ray diffraction. II. Volume, centre-of-mass position, crystallographic orientation and strain state of grains
Authors: Sharma Hemant , Huizenga Richard M. , Offerman S. Erik
Published: July 2012

This second part of the paper on an analysis strategy for data acquired using three-dimensional X-ray diffraction (3DXRD) describes the procedure for the determination of the grain characteristics for thousands of grains. The approach developed here is orders of magnitude faster than those presently available for indexing thousands of grains. Using information obtained from the steps described in Part I [Sharma, Huizenga & Offerman (2012).J. Appl. Cryst.45, 693–704], the volume, crystallographic orientation, centre-of-mass position and strain state of grains in the sample can be determined. The algorithms dealing with the determination of the orientation, centre-of-mass position and strain state of the grains are divided into two parts. The first deals with indexing,i.e.it assigns diffraction spots to individual grains assuming an unstrained lattice, and the second deals with the refinement of the crystallographic orientation, centre-of-mass position and strain state of the grains using the diffraction spots assigned during indexing. The different approaches to indexing that exist in the literature are presented and compared with the novel approach developed here. Indexing can be run in two modes depending on the number of grains. For large numbers of grains, the approach employs a novel sample `surface' scanning technique, in combination with a reduced number of search orientations, to achieve high robustness and computation efficiency. For small numbers of grains, the approach neglects the position of the diffracting grains in the sample in order to improve the computation efficiency. For unstrained samples, both modes of indexing and the subsequent process of refinement are validated using simulated data for 60 and 3000 grains. In both cases, the centre-of-mass position of the grains was determined with a mean error of 0.7 µm and the orientation was determined with a mean error of 0.0003°. Furthermore, an experiment was `mimicked' by introducing experimental errors into the simulation for 3000 grains. The resulting mean errors in the centre-of-mass position (2.1 µm) and orientation (0.008°) of the grains are higher than those for the ideal simulations, and the errors in an experiment will depend on the `true' experimental errors. The algorithms dealing with strained samples are validated using a simulation for 3000 grains with mimicked experimental errors. The centre-of-mass position, crystallographic orientation, normal strain tensor components and shear strain tensor components of the grains were determined with mean errors of 8 µm, 0.006°, 5.2 × 10−5and 2.8 × 10−5, respectively. The possibility of obtaining grain-level information for thousands of grains with a high speed of acquisition makes the technique very attractive forin situstudies of thermomechanical processes in polycrystalline materials.
Bonsu: the interactive phase retrieval suite
Authors: Newton Marcus C. , Nishino Yoshinori , Robinson Ian K.
Published: July 2012

Coherent X-ray diffraction imaging has received considerable attention as a nondestructive method for probing material structure at the nanoscale. However, tools for reconstructing and analysing data in both two and three dimensions have lagged somewhat behind.Bonsu, the interactive phase retrieval suite, is the first software package that allows real-time visualization of the reconstruction of phase information in both two and three dimensions. It comes complete with an inventory of algorithms and routines for data manipulation and reconstruction.Bonsuis open source, is designed around the Python language (with C++ bindings) and is largely platform independent.Bonsuis made available under version three of the GNU General Public License and can be found at https://code.google.com/p/bonsu/.
On the determination of single-crystal plasticity parameters by diffraction: optimization of a polycrystalline plasticity model using a genetic algorithm
Authors: Skippon T. , Mareau C. , Daymond M. R.
Published: July 2012

A genetic algorithm was implemented in order to optimize the selection of parameters within a polycrystalline plasticity model. Previously collected experimental data from tests performed on textured Zircaloy-2, consisting of macroscopic flow curves, lattice strains and Lankford coefficients, all measured in both tension and compression in three principle directions of a plate, were reproduced by the model. The results obtained were found to be comparable to prior attempts to optimize the model parameters manually.
Structures of benzoxazine-fused triazoles as potential diuretic agents
Authors: Ravikumar Krishnan , Sridhar Balasubramanian , Nanubolu Jagadeesh Babu , Hariharakrishnan Venkatasubramanian , Singh Awadesh Narain
Published: July 2012

6,8-Dinitro-2,4-dihydro-1H-benzo[b][1,2,4]triazolo[4,3-d][1,4]oxazin-1-one, C9H5N5O6, (I), a potential diuretic, and its acetylacetone derivative (E)-2-(2-hydroxy-4-oxopent-2-en-3-yl)-6,8-dinitro-2,4-dihydro-1H-benzo[b][1,2,4]triazolo[4,3-d][1,4]oxazin-1-one, C14H11N5O8, (II), both crystallize from methanol but in centrosymmetric and noncentrosymmetric space groups, respectively. To the best of our knowledge, this is the first report of crystal structures of benzoxazine–triazole fused systems. The acetylacetone group in (II) exists as the keto–enol tautomer and is oriented perpendicular to the triazol-3-one ring. Of the two nitro groups present, one is rotated significantly less than the other in both structures. The oxazine ring adopts a screw-boat conformation in (II), whereas it is almost planar in (I). N—H...N and N—H...O hydrogen bonds form centrosymmetric dimers in (I), while C—H...O interactions associate the molecules into helical columns in (II).
Enantiomerically pure (1S,5R) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate
Authors: Frøstrup Brian , Peters Dan , Bond Andrew D.
Published: July 2012

The title compound, C15H16NS+·C2H3O2−, has been crystallized as both a pure enantiomer (1S,5R) and a racemate. The racemate crystallizes in the space groupCc, with molecules of opposite handedness related to each other by the action of thec-glide. The enantiomer is essentially isostructural with the racemate, except that the glide symmetry is violated by interchange of CH and CH2groups within the seven-membered ring. The space-group symmetry is reduced toP1 with two molecules in the asymmetric unit. The enantiomer structure shows disorder of the thiophene ring for one of the molecules in the asymmetric unit. The major component of the disorder has the thiophene ring in the same position as in the racemate, but generates a higher-energy molecular conformation. The minor disorder component has different intermolecular interactions but retains a more stable molecular conformation.
Ethyl 2-[4-(2-chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate
Authors: Prashanth T. , Ranganatha V. Lakshmi , Usha M. K. , Khanum Shaukath Ara , Revannasiddaiah D. , Anthal Sumati , Kant Rajni , Gupta Vivek K.
Published: July 2012

The asymmetric unit of the title compound, C19H19ClO4, contains two independent molecules. The dihedral angles between the benzene rings are 63.41 (8) and 61.41 (9)°. Adjacent molecules of different types are interconnected in pairs through π–π interactions between their central benzene rings [centroid–centroid separation = 3.801 (2) Å, interplanar spacing = 3.605 (2) Å, centroid shift = 1.204 (2) Å]. Finally, C—H...O hydrogen bonds link these dimers into bilayers parallel to (100).
1,3-Dinitrosoimidazolidine
Authors: Rivera Augusto , Quiroga Diego , Ríos-Motta Jaime , Dušek Michal , Fejfarová Karla
Published: July 2012

The title compound, C3H6N4O2, exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relativesynspatial arrangement [O=N...N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has anantidisposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH2—CH2—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H...O hydrogen bonds.
1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine
Authors: Fun Hoong-Kun , Quah Ching Kheng , Munirajasekhar D. , Himaja M. , Sarojini B. K.
Published: July 2012

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linkedviaN—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).
Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)
Authors: Shaikh M. Mobin , Mishra Veenu , Ram Priti , Birla Anil
Published: July 2012

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.
1-(Phenylsulfonyl)naphthalene
Authors: Fu Ying , Zhu Wenbo , Hou Hongxia , He Yinxia , Li Hulin
Published: July 2012

In the title compound, C16H12O2S, the phenyl ring is nearly perpendicular to the naphthalene system [dihedral angle = 80.3 (1)°]. The packing is consolidated by a weak C—H...π interaction involving neighbouring naphthalene and benzene rings. In addition, there exist two different offset π–π stacking interactions between benzene rings and between naphthalene systems of symmetry-related molecules [centroid–centroid distances = 3.876 (9) and 3.566 (4) Å, and slippage = 1.412 and 0.554 Å, respectively.
Propane-1,3-diammonium dichromate(VI)
Authors: Trabelsi Sonia , Marouani Houda , Al-Deyab Salem S. , Rzaigui Mohamed
Published: July 2012

The title compound, (C3H12N2)[Cr2O7], consists of a discrete dichromate anion with an eclipsed conformation and a propane-1,3-diammonium cation. Both kinds of ions have a mirror plane passing through the bridging O atom and the central methylene C atom of the Cr2O72−and C3H12N22+moieties, respectively. Anions and cations are alternately stacked to form columns parallel to thebaxis. Ions are linked by intra- and inter-column hydrogen bonds of types N—H...O and C—H...O, involving O atoms of the dichromate anions as acceptors, and ammonium or methylene groups as donors.
(2,2′-Bipyridine-κ2N,N′)bis(4-formylbenzoato-κO1)copper(II)
Authors: Qi Jin-li , Xu Wei
Published: July 2012

The title mononuclear CuIIcomplex, [Cu(C8H5O3)2(C10H8N2)], is comprised of a CuIIcation, two 4-formylbenzoate (L−) ligands and a 2,2′-bipyridine (bipy) ligand. The CuIIion and bipy ligand lie on a crystallographic twofold rotation axis; the CuIIion is coordinated by two N atoms from one bipy ligand and two O atoms from two different carboxylate groups of twoL−ligands, exhibiting effectively a distorted square-planar geometry. The complex molecules are interlinked to generate two-dimensional supramolecular layers in theabplane, formed by C—H...O hydrogen bonds, where the O acceptor is the O atom from the carboxylate group not involved in coordination to the CuIIion. The two-dimensional layers are stacked in a sequenceviaC—H...O hydrogen-bonding interactions where the formyl O atom acts as acceptor.
Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′][μ-5-(diphenylphosphinoyl)isophthalato-κ3O1,O1′:O3]nickel(II)]
Authors: Zhang Peng , Liu Yu-Jie , Li Kai-Hui , Yang Guang-Rui , Mei Chong-Zhen
Published: July 2012

In the title compound, [Ni(C20H13O5P)(C12H10N2)(H2O)]n, the NiIIcation is coordinated by three O atoms from two 5-(diphenylphosphinoyl)isophthalate anions, two N atoms from two 1,2-bis(pyridin-4-yl)ethene ligands and one water molecule in a distorted octahedral geometry. Both 1,2-bis(pyridin-4-yl)ethene and 5-(diphenylphosphinoyl)isophthalate bridge the NiIIcations to form polymeric layers parallel to (001). In the crystal, O—H...O hydrogen bonding links layers into a three-dimensional supramolecular structure.
N-Butyl-4-butylimino-2-methylpentan-2-aminium (E)-quercetinate
Authors: Grosu Ioana-Georgeta , Borodi Gheorghe , Pop Mihaela Maria
Published: July 2012

The title salt, C14H31N2+·C15H9O7−, was obtained in the reaction of quercetin withn-butylamine in a mixture of acetone and hexane. The crystal structure determination shows that the quercetin donates one of its phenol H atoms to theN-butyl-4-butylimino-2-methylpentan-2-amine molecule. The crystal structure of the salt is stabilized by intramolecular (N—H...N for the cation and O—H...O for the anion) and intermolecular hydrogen bonding (N—H...O between cation–anion pairs and O—H...O between anions). Quercetin molecules form dimers connected into a two-dimensional network. The dihedral angle between the quercetin ring systems is 19.61 (8)°.
(R)-2-Methyl-5-[(R)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone
Authors: Boualy Brahim , Harrad Mohamed Anouar , El Firdoussi Larbi , Ali Mustapha Ait , Stoeckli-Evans Helen
Published: July 2012

The title compound, C11H14Cl4O, was efficiently synthesized by atom-transfer radical addition between (R)-carvone and tetrachloromethane. In the molecule, both chiral centres are of the absolute configurationR. The cyclohex-2-enone ring has an envelope conformation with the chiral C atom displaced by 0.633 (2) Å from the mean plane through the other five C atoms [maximum deviation = 0.036 (2) Å]. In the crystal, molecules are linkedviaC—H...O interactions, leading to the formation of helical chains propagating along [100].
Diaquabis(N,N-diethylnicotinamide-κN1)bis(4-formylbenzoato-κO1)zinc
Authors: Sertçelik Mustafa , Çaylak Delibaş Nagihan , Necefoğlu Hacali , Hökelek Tuncer
Published: July 2012

In the title complex, [Zn(C8H5O3)2(C10H14N2O)2(H2O)2], the ZnIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate anions, twoN,N-diethylnicotinamide (DENA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water molecule links with the carboxylate groupviaan intramolecular O—H...O hydrogen bond. In the crystal, O—H...O and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network. A π–π contact between the parallel pyridine rings of adjacent molecules may further stabilize the crystal structure [centroid–centroid distance = 3.5654 (8) Å].
2-(1,3-Dioxoisoindolin-2-yl)acetic acid–N′-[(E)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1)
Authors: Mohamed Shaaban K. , Farrukh Muhammad Akhyar , Akkurt Mehmet , Albayati Mustafa R. , Abdelhamid Antar A.
Published: July 2012

In the title 1:1 cocrystal, C10H7NO4·C14H13N3O2, molecules are linked by intermolecular C—H...O, N—H...O and O—H...N hydrogen bonds, forming a three-dimensional network. In addition, π–π stacking interactions [with centroid–centroid distances of 3.5723 (19) and 3.6158 (18) Å] are observed.
A second monoclinic polymorph ofN-[bis(morpholin-4-yl)phosphinoyl]-4-fluorobenzamide with theP21/nspace group
Authors: Tarahhomi Atekeh , Pourayoubi Mehrdad , Keikha Mojtaba , Rheingold Arnold L. , Golen James A.
Published: July 2012

A second monoclinic polymorph of the title molecule, C15H21FN3O4P, is reported in the space groupP21/nand compared to the previously reportedC2/cspace group [Gholivandet al.(2006).Polyhedron,25, 711–721]. The asymmetric unit of the title compound consists of two independent molecules. The P atoms adopt a distorted tetrahedral environment. In the C(O)NHP(O) fragment, the P=O and the N—H groups are in asynconformation with respect to each other and in the crystal, intermolecular N—H...O=P hydrogen bonds form dimeric aggregates.
Divorced mothers' self‐perception of their divorce‐related communication with their children
Authors: Cohen Orna , Leichtentritt Ronit Dina , Volpin Netta
Published: July 2012

This is a qualitative study of divorce‐related communication between mothers and children, as recounted by 20 Jewish Israeli mothers. We adopt the communication privacy management theory, focusing on mothers' subjective experiences of communication, their management of dialectic tension between concealment and disclosure – namely, not only what mothers choose to disclose to and hide from their children, but also the feelings, concerns and perceptions that drove their communication. The mothers' reports convey the challenges and dilemmas they faced when communicating with their children about their divorce and its repercussions; the main one being their obligation to maintain a good father image and their wish to preserve a strong maternal figure. The ‘child's well‐being’ was the dominant criterion in the mothers' decision to reveal or conceal divorce‐related information. Clinical suggestions are made.
Pro‐inflammatory and Th2‐type cytokine responses in PBMC in infants are associated with parental smoking
Authors: Linnamaa P. , Nieminen K. , Koulu L. , Tuomasjukka S. , Kallio H. , Yang B. , Tahvonen R. , Savolainen J.
Published: July 2012

Background

During infancy, a disturbed cytokine balance leads to an atopic immune response. Many risk factors have been associated with the development of atopy. These include parental smoking, elevated cord blood IgE, early exposure to pets and family history of atopy, but the knowledge of their impact on cytokine balance is limited.

Objective

To assess the cytokines induced by mitogen in peripheral blood mononuclear cells (PBMC) of infants at 3 months and 12 months of age and their potential association with fatty acid (FA) intervention, parental atopy, atopic dermatitis and parental smoking.

Methods

Infants from an intervention study using black currant seed oil (BCSO, n = 34) or placebo (n = 34) were included. PBMC samples were taken at the age of 3 and 12 months. Signs of atopic dermatitis and parental smoking were registered. PBMC were isolated from heparinized blood samples, stimulated with ConcanavalinA mitogen and the cytokine responses were detected at 72 h of stimulation by Luminex technology.

Results

Children of smoking parents had elevated levels of IL‐4 (P = 0.0004), IL‐5 (P = 0.0002), IFN‐γ (P = 0.039) and TNF (P = 0.0003) at 12 months of age. Children who had atopic dermatitis by the age of 3 months showed elevated levels of IL‐5 at 3 months (P = 0.0027) and 12 months of age (P = 0.022). The production of TNF at the age of 3 months was higher (P = 0.010) and the production of IL‐12 at the age of 12 months was lower (P = 0.025) in infants whose parents were atopic. BCSO intervention did not have any effect on any cytokine production or mRNA expression.

Conclusion

Children of smoking parents had highly significantly elevated levels of Th2‐type cytokines IL‐4, IL‐5 and pro‐inflammatory cytokine TNF. The detrimental effects of parental smoking on the child's immune function should lead us to pay more attention to supporting parents to stop smoking.
Endocrinopathies in transfusion‐associated iron overload
Authors: Kim Mee Kyoung , Lee Jong Wook , Baek Ki Hyun , Song Ki Ho , Kwon Hyuk Sang , Oh Ki Won , Jang Eun Hee , Kang Moo Il , Lee Kwang Woo
Published: July 2012

Background

Transfusional iron overload primarily results in reticuloendothelial iron accumulation, which is considered to be less harmful than parenchymal iron accumulation. However, systematic and comprehensive data on endocrine function in transfusion‐associated haemochromatosis are limited.

Methods

We examined 25 aplastic anaemia patients (11 men and 14 women) diagnosed with transfusion‐associated haemochromatosis at a single institution. Pituitary function was determined with a combined pituitary function test. On a different day, a 75‐g oral glucose tolerance test was performed. The bone mineral density (BMD) of the lumbar spine and total hip was assessed with dual‐energy X‐ray absorptiometry.

Results

Twenty‐two (88%) of these 25 patients had at least one endocrine abnormality, and 12 had more than one abnormality. The most common pituitary hormonal deficiency involved the pituitary–gonadal axis; 54% of the total subjects had hypogonadotropic hypogonadism. Two patients had an insufficient cortisol response to corticotrophin‐releasing hormone stimulation. No patient had a deficiency of growth hormone or thyroid‐stimulating hormone. Twelve (48%) had diabetes mellitus, and these patients tended to have higher concentrations of ferritin, alanine aminotransferase and γ‐glutamyl transferase. Osteoporosis (T‐score <−2·5 SD) was observed in 48% of patients. The reduction in BMD was more pronounced in the lumbar spine than in the total hip. The patients with osteoporosis were accompanied by hypogonadism, which predominantly affected the trabecular bone.

Conclusions

Our observations suggest that endocrinopathies are common in transfusion‐associated haemochromatosis.