bluuebunny/crossref_metadata_2025 huggingface dataset:
A simplified treatment of surfactant effects on cloud drop activation
Authors: Raatikainen T. , Laaksonen A.
Published: July 2010

Abstract. Dissolved surface active species, or surfactants, have a tendency to partition to solution surface and thereby decrease solution surface tension. Activating cloud droplets have large surface-to-volume ratios, and the amount of surfactant molecules in them is limited. Therefore, unlike with macroscopic solutions, partitioning to the surface can effectively deplete the droplet interior of surfactant molecules. Surfactant partitioning equilibrium for activating cloud droplets can be solved numerically from a group of equations. This can be a problem when surfactant effects are examined by using large-scale cloud models. Namely, computing time increases significantly due to the partitioning calculations done in the lowest levels of nested iterations. The purpose of this paper is to present analytical equations for surfactant partitioning equilibrium. Some simplifications are needed in deriving the equations, but the numerical errors caused by the simplifications are shown to be very minor. In addition, computing time is decreased roughly by an order of magnitude.
Climate change and hydrological extremes in Belgian catchments
Authors: Baguis P. , Roulin E. , Willems P. , Ntegeka V.
Published: July 2010

Abstract. In this study we focus our attention on the climate change impacts on the hydrological balance in Belgium. There are two main rivers in the country, the Scheldt and the Meuse, supplied with water almost exclusively by precipitation. With the climate change projected by climate models for the end of the current century, one would expect that the hydrological regime of the rivers may be affected mainly through the changes in precipitation patterns and the increased potential evapotranspiration (PET) due to increased temperature throughout the year. We examine the hydrology of two important tributaries of the rivers Scheldt and Meuse, the Gete and the Ourthe, respectively. Our analysis is based on simulations with the SCHEME hydrological model and on climate change data from the European PRUDENCE project. Two emission scenarios are considered, the SRES A2 and B2 scenarios, and the perturbation (or delta) method is used in order to assess the climate change signal at monthly time scale and provide appropriate input time series for the hydrological simulations. The ensemble of climate change scenarios used allows us to estimate the combined model and scenario uncertainty in the streamflow calculations, inherent to this kind of analysis. In this context, we also analyze extreme river flows using two probability distribution families, allowing us to quantify the shift of the extremes under climate change conditions.
Potential groundwater contribution to Amazon evapotranspiration
Authors: Fan Y. , Miguez-Macho G.
Published: July 2010

Abstract. Climate and land ecosystem models simulate a dry-season vegetation stress in the Amazon forest, but observations show enhanced growth in response to higher radiation under less cloudy skies, indicating an adequate water supply. Proposed mechanisms include larger soil water store and deeper roots in nature and the ability of roots to move water up and down (hydraulic redistribution). Here we assess the importance of the upward soil water flux from the groundwater driven by capillarity. We present a map of water table depth from observations and groundwater modeling, and a map of potential capillary flux these water table depths can sustain. The maps show that the water table beneath the Amazon can be quite shallow in lowlands and river valleys (<5 m in 36% and <10 m in 60% of Amazonia). The water table can potentially sustain a capillary flux of >2.1 mm day−1 to the land surface averaged over Amazonia, but varies from 0.6 to 3.7 mm day−1 across nine study sites. Current models simulate a large-scale reduction in dry-season photosynthesis under today's climate and a possible dieback under projected future climate with a longer dry season, converting the Amazon from a net carbon sink to a source and accelerating warming. The inclusion of groundwater and capillary flux may modify the model results.
Description and analysis of the debris flows occurred during 2008 in the Eastern Pyrenees
Authors: Portilla M. , Chevalier G. , Hürlimann M.
Published: July 2010

Abstract. Rainfall-triggered landslides taking place in the Spanish Eastern Pyrenees have usually been analysed on a regional scale. Most research focussed either on terrain susceptibility or on the characteristics of the critical rainfall, neglecting a detailed analysis of individual events. In contrast to other mountainous regions, research on debris flow has only been performed marginally and associated hazard has mostly been neglected. In this study, five debris flows, which occurred in 2008, are selected; and site specific descriptions and analysis regarding geology, morphology, rainfall data and runout were performed. The results are compared with worldwide data and some conclusions on hazard assessment are presented. The five events can be divided into two in-channel debris flows and three landslide-triggered debris flows. The in-channel generated debris flows exceeded 10 000 m3, which are unusually large mass movements compared to historic events which occurred in the Eastern Pyrenees. In contrast, the other events mobilised total volumes less than 2000 m3. The geomorphologic analysis showed that the studied events emphasize similar patterns when compared to published data focussing on slope angle in the initiation zone or catchment area. Rainfall data revealed that all debris flows were triggered by high intensity-short duration rainstorms during the summer season. Unfortunately, existing rainfall thresholds in the Eastern Pyrenees consider long-lasting rainfall, usually occurring in autumn/winter. Therefore, new thresholds should be established taking into account the rainfall peak intensity in mm/h, which seems to be a much more relevant factor for summer than the event's total precipitation. The runout analysis of the 2008 debris flows confirms the trend that larger volumes generally induce higher mobility. The numerical simulation of the Riu Runer event shows that its dynamic behaviour is well represented by Voellmy fluid rheology. A maximum front velocity of 7 m/s was back-analysed for the transit section and even on the fan velocities larger than 2 m/s were obtained. This preliminary analysis of the major Eastern Pyrenean debris flows represents the first background for future studies. Additional research on other events is necessary to support the results presented herein, and to properly assess and reduce hazard related to debris flows.
Freshwater flux to Sermilik Fjord, SE Greenland
Authors: Mernild S. H. , Liston G. E. , Howat I. M. , Ahn Y. , Steffen K. , Hasholt B. , Jakobsen B. H. , Fog B. , van As D.
Published: July 2010

Abstract. Fluctuations in terrestrial surface freshwater flux to Sermilik Fjord, SE Greenland, were simulated and analyzed. SnowModel, a state-of-the-art snow-evolution, snow and ice melt, and runoff modeling system, was used to simulate the temporal and spatial terrestrial runoff distribution to the fjord based on observed meteorological data (1999–2008) from stations located on and around the Greenland Ice Sheet (GrIS). Simulated runoff was compared and verified against independent glacier catchment runoff observations (1999–2005). Modeled runoff to Sermilik Fjord was highly variable, ranging from 2.9×109 m3 y−1 in 1999 to 5.9×109 m3 y−1 in 2005. The uneven spatial runoff distribution produced an areally-averaged annual maximum runoff at the Helheim glacier terminus of more than 3.8 m w.eq. The sub-catchment runoff of the Helheim glacier region accounted for 25% of the total runoff to Sermilik Fjord. The runoff distribution from the different sub-catchments suggested a strong influence from the spatial variation in glacier coverage. To assess the Sermilik Fjord freshwater flux, simulated terrestrial runoff and net precipitation (precipitation minus evaporation and sublimation) for the fjord area were combined with satellite-derived ice discharge and subglacial geothermal and frictional melting due to basal ice motion. A terrestrial freshwater flux of ~40.4×109 m3 y−1 was found for Sermilik Fjord, with an 11% contribution originated from surface runoff. For the Helheim glacier sub-catchment only 4% of the flux originated from terrestrial surface runoff.
Chemical, Mechanical, and Antibacterial Properties of Silver Nanocluster–Silica Composite Coatings Obtained by Sputtering
Authors: Ferraris Monica , Perero Sergio , Miola Marta , Ferraris Sara , Gautier Giovanna , Maina Giovanni , Fucale Giacomo , Verne Enrica
Published: July 2010

Silver nanocluster–silica matrix composite coatings have been deposited by radio frequency (RF) co‐sputtering on silica substrates. Field emission scanning electron microscopy and X‐ray diffraction spectra of the as deposited and heated samples (150–600 °C) revealed the presence of metal silver nanoclusters, their size depending on the heating treatment. The antibacterial activity of the as deposited and heated samples has been measured in accordance to National Committee for Clinical Laboratory Standards, and it has been demonstrated on samples heated up to 450 °C in contact mode and for samples heated at 600 °C in a liquid environment. Their antibacterial activity was still present after gamma ray and ethylene oxide gas (EtO) sterilization of the samples. Silver leaching tests on the as deposited and heated samples has been measured by graphite furnace atomic absorption spectrometer, revealing an amount ranging from 0.1 to 0.9 µg mm−2, over 28 days. Tape resistance (ASTM D3359‐97) and scratch resistance tests have been done on each sample revealing a good adhesion of the coatings on silica.
Preparation and Characterization of Gallium Releasing 3‐D Alginate Coated 45S5 Bioglass® Based Scaffolds for Bone Tissue Engineering
Authors: Mouriño Viviana , Newby Phillipa , Boccaccini Aldo R.
Published: July 2010

The aim of this work was to develop functional three‐dimensional scaffolds based on Bioglass® derived glass–ceramics for bone tissue engineering (TE) with prophylaxis effect against infections. The highly porous scaffolds were fabricated by the foam replication technique and then coated with sodium alginate crosslinked with Ga3+. It was confirmed that the polymer coating did not affect the interconnectivity of the scaffold pore structure. The resulting composite scaffold exhibited antibacterial effect and improved mechanical properties as well as high bioactivity. The novel Ga3+ loaded 45S5 Bioglass®‐based scaffolds coated with alginate are promising candidates for bone TE applications.
The Influence of Tetracycline Loading on the Surface Morphology and Biocompatibility of Films Made from P(3HB) Microspheres
Authors: Francis Lydia , Meng Decheng , Locke Ian C. , Mordan Nicola , Salih Vehid , Knowles Jonathan C. , Boccaccini Aldo R. , Roy Ipsita
Published: July 2010

Tetracycline, an antibiotic used against a broad range of Gram positive and Gram negative bacteria was encapsulated in microspheres made of poly(3‐hydroxybutyric acid) P(3HB), a microbial biodegradable polymer isolated from Bacillus cereus SPV. The drug loaded microspheres were prepared using an oil emulsion technique and compressed uniaxially to produce films. Although the same fabrication conditions were used for preparing the drug loaded and unloaded microspheres, the presence of the drug changed the surface morphology and roughness of the films. The surface morphology of the drug loaded films appeared uneven and coarser and the roughness, with an average root mean square value of 5.89 µm, was significantly higher than that of the unloaded film. The in vitro biocompatibility of the films was investigated using a human keratinocyte cell line (HaCaT) by comparing cell viability on the films to that on conventional tissue culture plastics. Both films appear to support cell growth but cell attachment and percentage cell viability were greater on the drug loaded films (32% of control) compared to the unloaded film (10% of control), possibly as a result of the non‐uniform surface morphology and increased roughness of the drug loaded film. Thus, the above results illustrate that the drug loaded films, in addition to being a suitable matrix for drug delivery, represent an improved substrate for keratinocyte cell attachment.
An Alternative Approach to Constructing Solution Processable Multifunctional Materials: Their Structure, Properties, and Application in High‐Performance Organic Light‐Emitting Diodes
Authors: Ye Shanghui , Liu Yunqi , Lu Kun , Wu Weiping , Du Chunyan , Liu Ying , Liu Hongtao , Wu Ti , Yu Gui
Published: July 2010

A new series of full hydrocarbons, namely 4,4′‐(9,9′‐(1,3‐phenylene)bis(9H‐fluorene‐9,9‐diyl))bis(N,N‐diphenylaniline) (DTPAFB), N,N′‐(4,4′‐(9,9′‐(1,3‐phenylene)bis(9H‐fluorene‐9,9‐diyl))bis(4,1‐phenylene))bis(N‐phenylnaphthalen‐1‐amine) (DNPAFB), 1,3‐bis(9‐(4‐(9H‐carbazol‐9‐yl)phenyl)‐9H‐fluoren‐9‐yl)benzene, and 1,3‐bis(9‐(4‐(3,6‐di‐tert‐butyl‐9H‐carbazol‐9‐yl)phenyl)‐9H‐fluoren‐9‐yl)benzene, featuring a highly twisted tetrahedral conformation, are designed and synthesized. Organic light‐emitting diodes (OLEDs) comprising DNPAFB and DTPAFB as hole transporting layers and tris(quinolin‐8‐yloxy)aluminum as an emitter are made either by vacuum deposition or by solution processing, and show much higher maximum efficiencies than the commonly used N,N′‐di(naphthalen‐1‐yl)‐N,N′‐diphenylbiphenyl‐4,4′‐diamine device (3.6 cd A−1) of 7.0 cd A−1 and 6.9 cd A−1, respectively. In addition, the solution processed blue phosphorescent OLEDs employing the synthesized materials as hosts and iridium (III) bis[(4,6‐di‐fluorophenyl)‐pyridinato‐N, C2] picolinate (FIrpic) phosphor as an emitter present exciting results. For example, the DTPAFB device exhibits a brightness of 47 902 cd m−2, a maximum luminescent efficiency of 24.3 cd A−1, and a power efficiency of 13.0 lm W−1. These results show that the devices are among the best solution processable blue phosphorescent OLEDs based on small molecules. Moreover, a new approach to constructing solution processable small molecules is proposed based on rigid and bulky fluorene and carbazole moieties combined in a highly twisted configuration, resulting in excellent solubility as well as chemical miscibility, without the need to introduce any solubilizing group such as an alkyl or alkoxy chain.
Self‐Assembled, Molecularly Aligned Conjugated Polymer Nanowires via Dewetting
Authors: Chang Shion Seng , Tsoi Wing C. , Higgins Anthony M. , Kim Ji‐Seon , Winfield Jessica M. , James David T.
Published: July 2010

High aspect‐ratio poly(9,9′‐dioctylfluorene) (F8) nanowires are fabricated on top of silicon/amorphous Teflon substrates, by dewetting of F8 thin‐films. The conjugated nature of the polymers enables the self‐assembly of continuous molecularly‐aligned nanowires of several micrometers in length and tens of nanometers width, without using a template. The sizescale of the dewetted morphology can be controlled by varying the thickness of the F8 and amorphous Teflon layers. As predicted by van der Waals theory the characteristic sizescale of the dewetted morphology increases with F8 film thickness. However, the dependence of the characteristic sizescale on amorphous Teflon thickness is not accounted for, even qualitatively, by standard spinodal theory with van der Waals forces as the de‐stabilizing force across the F8 film. The Rayleigh instability is strongly suppressed in the F8 nanowires in the late stages of dewetting, compared to isotropic, amorphous polymers. Polarized Raman measurements show a systematic increase in molecular alignment along the axis of the nanowires as their width is reduced below the typical liquid‐crystalline domain size in polyfluorene films. Thus the dewetting process aligns the polymers, and the aligned polymers suppress the Rayleigh instability and enable the formation of high aspect‐ratio continuous nanowires.
Copper Azide Confined Inside Templated Carbon Nanotubes
Authors: Pelletier Valarie , Bhattacharyya Sayan , Knoke Isabel , Forohar Farhad , Bichay Magdy , Gogotsi Yury
Published: July 2010

The currently used primary explosives, such as lead azide and lead styphnate, present serious health hazards due to the toxicity of lead. There is a need to replace them with equally energetic but safer‐to‐handle and more environmentally friendly materials. Copper azide is more environmentally acceptable, but very sensitive and detonates easily from electrostatic charges during handling. If the highly sensitive copper azide is encapsulated within conducting containers, such as anodic aluminum oxide (AAO)‐templated carbon nanotubes (CNTs), its sensitivity can be tamed. This work describes a technique for confining energetic copper azide within CNTs. ∼5 nm colloidal copper oxide nanoparticles are synthesized and filled into the 200 nm diameter CNTs, produced by template synthesis. The Cu‐O inside the CNTs is reduced in hydrogen to copper, and reacted with hydrazoic acid gas to produce copper azide. Upon initiation, the 60 μm long straight, open‐ended CNTs guide decomposition gases along the tube channel without fracturing the nanotube walls. These novel materials have potential for applications as nano‐detonators and green primary explosives; they also offer new opportunities for understanding the physics of detonation at the nanoscale.
Sea turtle strandings reveal high anthropogenic mortality in Italian waters
Authors: Casale Paolo , Affronte Marco , Insacco Gianni , Freggi Daniela , Vallini Carola , Pino d'Astore Paola , Basso Roberto , Paolillo Giuseppe , Abbate Graziana , Argano Roberto
Published: July 2010

Spatio‐temporal distribution and anthropogenic mortality factors were investigated in loggerhead turtles (Caretta caretta) found stranded or floating in the waters around Italy. A total of 5938 records for the period 1980–2008 were analysed concerning loggerhead turtles measuring from 3.8 to 97 cm curved carapace length (mean: 48.3 cm).

Results highlighted the following conservation issues: (i) in the study area, anthropogenic mortality is higher than natural mortality; (ii) interaction with fisheries is by far the most important anthropogenic mortality factor; (iii) longlines are an important mortality factor in the southern areas; (iv) trawlers are the cause of high numbers of dead strandings in the north Adriatic; (v) entanglement in ghost‐gear or in other anthropogenic debris affects high numbers of turtles; and (vi) boat strikes are an important source of mortality in most areas but mostly in the warm seasons.

Results also indicate that: (vii) the north Adriatic is the area with the highest turtle density; and (viii) the south Adriatic and to a lesser extent the surrounding areas of the north Adriatic and the Ionian, are important developmental areas for loggerhead turtles in the first years of life.

Italy is in the centre of the Mediterranean Sea and borders major foraging areas for the loggerhead turtles in the region, and these results confirm previous concerns about the level of anthropogenic mortality in Italian waters. Copyright © 2010 John Wiley & Sons, Ltd.
Structural and biochemical characteristics of the cyclotide kalata B5 from Oldenlandia affinis
Authors: Plan Manuel R. , Rosengren K. Johan , Sando Lillian , Daly Norelle L. , Craik David J.
Published: July 2010

Cyclotides are a large family of plant‐derived proteins typified by their head‐to‐tail cyclic backbone and knotted arrangement of three disulfide bonds. Although they display a diverse range of biological activities, their native function is thought to be plant defense. Here we characterized the expression, three‐dimensional structure, and hemolytic activity of the cyclotide kalata B5 from the African plant Oldenlandia affinis. Kalata B5 shows an interesting seasonal variation in its expression and can only be isolated during certain times of the year, when the plant is flowering. It displays a typical tightly folded cyclic cystine knot structure. A range of pH and temperature titrations reveal that a conserved glutamic acid in loop 1 of the structure forms a key hydrogen bond network, similar to that reported previously for other cyclotides. However, specific line broadening in the NMR spectra of kalata B5 suggests that the hydrogen bonding network in this peptide is less rigid than in other cyclotides. Notably, the pKa of Glu6 of 4.5 is higher than the values for other cyclotides studied so far, which range from 3.0 to 4.0, providing a further indication of a weaker hydrogen bond network. Kalata B5 has only moderate hemolytic activity compared with other highly expressed cyclotides, and this reduced activity probably reflects its more flexible structure. As is the case with other cyclotides, kalata B5 has an exposed hydrophobic region on its surface, supporting suggestions that this hydrophobic patch is a key feature for membrane binding and biological activity of cyclotides. © 2010 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 94: 647–658, 2010.

This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com
Two step capture and purification of IgG2 using multicolumn countercurrent solvent gradient purification (MCSGP)
Authors: Müller‐Späth T. , Aumann L. , Ströhlein G. , Kornmann H. , Valax P. , Delegrange L. , Charbaut E. , Baer G. , Lamproye A. , Jöhnck M. , Schulte M. , Morbidelli M.
Published: July 2010

A two‐step chromatography process for monoclonal antibody (mAb) purification from clarified cell culture supernatant (cCCS) was developed using cation exchange Multicolumn Countercurrent Solvent Gradient Purification (MCSGP) as a capture step. After an initial characterization of the cell culture supernatant the capture step was designed from a batch gradient elution chromatogram. A variety of chromatographic materials was screened for polishing of the MCSGP‐captured material in batch mode. Using multi‐modal anion exchange in bind‐elute mode, mAb was produced consistently within the purity specification. The benchmark was a state‐of‐the‐art 3‐step chromatographic process based on protein A, anion and cation exchange stationary phases. The performance of the developed 2‐step process was compared to this process in terms of purity, yield, productivity and buffer consumption. Finally, the potential of the MCSGP process was investigated by comparing its performance to that of a classical batch process that used the same stationary phase. Biotechnol. Bioeng. 2010;107: 974–984. © 2010 Wiley Periodicals, Inc.
Chemical Synthesis and Structure of the Prokineticin Bv8
Authors: Morales Rodrigo A. V. , Daly Norelle L. , Vetter Irina , Mobli Mehdi , Napier Ian A. , Craik David J. , Lewis Richard J. , Christie MacDonald J. , King Glenn F. , Alewood Paul F. , Durek Thomas
Published: July 2010

Bv8, a 77‐residue protein isolated from frogs, is the prototypic member of the prokineticin family of cytokines. Prokineticins (PKs) have only recently been identified in vertebrates (including humans), and they are believed to be involved in a number of key physiological processes, such as angiogenesis, neurogenesis, nociception, and tissue development. We used a combination of Boc solid‐phase peptide synthesis, native chemical ligation, and in vitro protein folding to establish robust chemical access to this molecule. Synthetic Bv8 was obtained in good yield and exhibited full activity in a human neuroblastoma cell line and rat dorsal root ganglion (DRG) neurons. The 3D structure of the synthetic protein was determined by using NMR spectroscopy and it was found to be homologous with that of mamba intestinal toxin 1, which is the only other known prokineticin structure. Analysis of a truncated mutant lacking five residues at the N terminus that are critical for receptor binding and activation showed no perturbation to the core protein structure. Together with the functional data, this suggests that receptor binding is likely to be a highly cooperative process possibly involving major allosterically driven structural rearrangements. The facile and efficient synthesis presented here will enable preparation of unique chemical analogues of prokineticins, which should be powerful tools for modulating the structure and function of prokineticins and their receptors, and studying the many physiological processes that have been linked to them.
para‐Phenylene‐Bridged Spirobi(triarylamine) Dimer with Four Perpendicularly Linked Redox‐Active π Systems
Authors: Ito Akihiro , Hata Kazuhira , Kawamoto Kensuke , Hirao Yasukazu , Tanaka Kazuyoshi , Shiro Motoo , Furukawa Ko , Kato Tatsuhisa
Published: July 2010

para‐Phenylene‐bridged spirobi(triarylamine) dimer 2, in which π conjugation through four redox‐active triarylamine subunits is partially segregated by the unique perpendicular conformation, was prepared and characterized by structural, electrochemical, and spectroscopic methods. Quantum chemical calculations (DFT and CASSCF) predicted that the frontier molecular orbitals of 2 are virtually fourfold degenerate, so that the oxidized states of 2 can give intriguing electronic and magnetic properties. In fact, the continuous‐wave ESR spectroscopy of radical cation 2.+ showed that the unpaired electron was trapped in the inner two redox‐active dianisylamine subunits, and moreover was fully delocalized over them. Magnetic susceptibility measurements and pulsed ESR spectroscopy of the isolated salts of 2, which can be prepared by treatment with SbCl5, revealed that the generated tetracation 24+ decomposed mainly into a mixture of 1) a decomposed tetra(radical cation) consisting of a tri(radical cation) moiety and a trianisylamine radical cation moiety (≈75 %) and 2) a diamagnetic quinoid dication in a tetraanisyl‐p‐phenylendiamine moiety and two trianisylamine radical cation moieties (≈25 %). Furthermore, the spin‐quartet state of the tri(radical cation) moiety in the decomposed tetra(radical cation) was found to be in the ground state lying 30 cal mol−1 below the competing spin‐doublet state.
Hypervalent Silicon Compounds by Coordination of Diphosphine–Silanes to Gold
Authors: Gualco Pauline , Mercy Maxime , Ladeira Sonia , Coppel Yannick , Maron Laurent , Amgoune Abderrahmane , Bourissou Didier
Published: July 2010

Coordination of ambiphilic diphosphine–silane ligands [o‐(iPr2P)C6H4]2Si(R)F (R=F, Ph, Me) to AuCl affords pentacoordinate neutral silicon compounds in which the metal atom acts as a Lewis base. X‐ray diffraction analyses, NMR spectroscopy, and DFT calculations substantiate the presence of Au→Si interactions in these complexes, which result in trigonal‐bipyramidal geometries around silicon. The presence of a single electron‐withdrawing fluorine atom is sufficient to observe coordination of the silane as a σ‐acceptor ligand, provided it is positioned trans to gold. The nature of the second substituent at silicon (R=F, Ph, Me) has very little influence on the magnitude of the Au→Si interaction, in marked contrast to N→Si adducts. According to variable‐temperature and 2D EXSY NMR experiments, the apical/equatorial positions around silicon exchange in the slow regime of the NMR timescale. The two forms, with the fluorine atom in trans or cis position to gold, were characterized spectroscopically and the activation barrier for their interconversion was estimated. The bonding and relative stability of the two isomeric structures were assessed by DFT calculations.
New life for schizophrenia psychotherapy in the light of phenomenology
Authors: Pérez‐Álvarez Marino , García‐Montes José M. , Vallina‐Fernández Oscar , Perona‐Garcelán Salvador , Cuevas‐Yust Carlos
Published: July 2010

Recent contributions to the theoretical conception and empirical evaluation of schizophrenia in the light of phenomenology are opening the way to new perspectives in psychotherapy. The phenomenological conception understands schizophrenia as a disturbance of the basic sense of selfhood (ipseity) characterized by hyper‐reflexivity and diminished sense of self. Evaluation consists of examining the anomalous self‐experience in a series of domains, which makes the conception presented operable. On this basis, a phenomenologically informed psychotherapy is introduced. Its characteristics are pointed out and early intervention is reviewed (the last frontier in psychosis) from this perspective. Finally, a series of psychotherapies which, although they do not have a phenomenological origin, may be seen from that perspective, are re‐examined. These are the narrative, mindfulness and acceptance and commitment therapies. Copyright © 2010 John Wiley & Sons, Ltd.

Key Practitioner Messages:

• The phenomenological conception can contribute to a new understanding of schizophrenia.

• The phenomenological conception can contribute to evaluation of the subjective experience.

• The phenomenological conception opens a new perspective for psychotherapy of schizophrenia.
Microtopographical and canopy cover controls on moss carbon dioxide exchange in a western Boreal Plain peatland
Authors: Petrone R. M. , Solondz D. S. , Macrae M. L. , Gignac D. , Devito K. J.
Published: July 2010

Climate change may have profound impacts on the maintenance of peatlands and surface water systems in the sub‐humid western Boreal Plain (WBP) of Northwestern Canada. Wetlands in the WBP, whereas significant carbon stocks are sensitive to changes in climate, because in most years potential evapotranspiration (ET) exceeds precipitation. In this study, a dynamic closed chamber technique was used to examine the relative midday (10:00–16:00 h) growing season (April–October) contributions of heterotrophic and autotrophic respiration (Rtot) and moss photosynthesis (gross ecosystem production, GEP) to net ecosystem exchange (NEE) of CO2 at the soil surface of different degrees of spruce forest canopy cover and microtopography (lawn and depression) in two peatland–pond complexes in the WBP, north–central Alberta, Canada. Results demonstrate that Sphagnum lawns showed the greatest amount of uptake, and dominant surface cover plant communities (Sphagnum and feather mosses) were associated more with canopy cover and incident radiation (photosynthetically active radiation, PAR) than microclimate and hydrology. Although microclimate and hydrology varied spatially, no major changes in plant communities were observed across microtopographic gradients (lawns and depression). Differences in NEE with hydrology and microclimate were observed between microtopographic units (depression and lawns), but this was not consistent with surface cover plant community types, which makes generalized fluxes in this landscape particularly challenging. Copyright © 2010 John Wiley & Sons, Ltd.
A matter of timing: Early, not chronic phase intestinal nematode infection restrains control of a concurrent enteric protozoan infection
Authors: Rausch Sebastian , Held Josephin , Stange Joerg , Lendner Matthias , Hepworth Matthew R. , Klotz Christian , Lucius Richard , Pogonka Thomas , Hartmann Susanne
Published: July 2010

Infections with parasitic worms are often long lasting and associated with modulated immune responses. We analyzed the influence of the nematode Heligmosomoides polygyrus bakeri dwelling in the small intestine on concurrent protozoan infection with Eimeria falciformis residing in the cecum. To dissect the effects of a nematode infection in the early versus chronic phase, we infected animals with E. falciformis 6 or 28 days post H. p. bakeri infection. Only a concurrent early nematode infection led to an increased replication of the protozoan parasite, whereas a chronic worm infection had no influence on the control of E. falciformis. Increased protozoan replication correlated with the reduced production of IFN‐γ, IL‐12/23, CCL4, CXCL9 and CXCL10, reduced migration of T cells and increased expression of Foxp3 at the site of protozoan infection. This was accompanied by a stronger nematode‐specific Th2 response in gut‐draining LN. Protection of mice against challenge infections with the protozoan parasite was not altered. Hence, the detrimental effect of a nematode infection on the control of a concurrent protozoan infection is transient and occurs only in the narrow time window of the early phase of infection.
Chronic myelogenous leukemia maintains specific CD8+ T cells through IL‐7 signaling
Authors: Mumprecht Sabine , Schürch Christian , Scherrer Sandro , Claus Christina , Ochsenbein Adrian F.
Published: July 2010

Chronic myelogenous leukemia (CML) is a malignant myeloproliferative disease of hematopoietic stem cells. The disease progresses after several years from an initial chronic phase to a blast phase. Leukemia‐specific T cells are regularly detected in CML patients and may be involved in the immunological control of the disease. Here, we analyzed the role of leukemia‐specific CD8+ T cells in CML disease control and the mechanism that maintains CD8+ T‐cell immunosurveillance in a retroviral‐induced murine CML model. To study antigen‐specific immune responses, the glycoprotein of the lymphocytic choriomeningitis virus was used as model leukemia antigen. Leukemia‐specific CTL activity was detectable in vivo in CML mice and depletion of CD8+ T cells rapidly led to disease progression. CML‐specific CTL were characterized by the expression of the IL‐7 receptor α‐chain. In addition, leukemia cells produced IL‐7 that was crucial for the maintenance of leukemia‐specific CTL and for disease control. Therefore, CML cells maintain the specific CD8+ T‐cell‐mediated immune control by IL‐7 secretion. This results in prolonged control of disease and probably contributes to the characteristic chronic phase of the disease.
Indium‐Mediated Reaction of 1‐Bromo‐1‐nitroalkanes with Aldehydes: Access to 2‐Nitroalkan‐1‐ols
Authors: Soengas Raquel G. , Estévez Amalia M.
Published: July 2010

A novel method for the preparation of 2‐nitroalkan‐1‐ols by an indium‐promoted reaction of bromonitromethane with a variety of aldehydes is reported. The reaction was also performed with 2‐bromo‐2‐nitropropanes to afford 2,2‐dialkyl‐2‐nitroalkan‐1‐ols. The use of chiral sugar‐derived aldehydes furnished the corresponding 2‐nitroalkan‐1‐ols with excellent stereoselectivity. The utility of the novel sugar‐derived 2,2‐dialkyl‐2‐nitroalkan‐1‐ols for the preparation of branched iminosugar derivatives was demonstrated by the preparation of a hydroxymethyl branched polyhydroxylated azepane.
Efficient Oxidative Cleavage of 1,3‐Dicarbonyl Derivatives with Hydrogen Peroxide Catalyzed by Quaternary Ammonium Iodide
Authors: Yuan Yu , Ji Xiang , Zhao Dongbo
Published: July 2010

Quaternary ammonium iodide, a metal‐free and mild catalyst, was proven to be a successful catalyst in the oxidative cleavage of 1,3‐dicarbonyl derivatives with H2O2 as terminal oxidant. The mechanistic aspects of these “multistep” catalytic oxidations were discussed in terms of the catalytic cycle of the iodine species and the oxidative cleavage of the α carbon from the dicarbonyl compounds to generate the corresponding carboxylic acids.
Improved external device for a mass‐carrying sliding system for shaking table testing
Authors: Carrillo Julian , Alcocer Sergio
Published: July 2010

Shaking tables are suitable facilities to assess and validate the behavior of structures and nonstructural components under actual seismic actions. Because of the size and weight limitations of the tables, some approaches, like testing reduced‐scale models or testing only the main structural components, are deemed necessary. In these cases, to comply with modeling requirements, large amount of extra‐mass should be added to the specimen. Therefore, to avoid the risk of lateral instability of models, to maintain the weight of test specimens within table payload, while maintaining the amount of mass needed, an external device for transmitting the inertia forces to the models using an improved sliding system is proposed. Although friction devices for similar purposes have been developed using sliding bearings (Teflon pads or rollers), the measured coefficient of dynamic friction and the energy dissipated by friction have been very high. In order to drastically diminish the damping added to the specimen response when a friction device is used, the improved device employs a linear motion guide system (LMGS) with very low friction. Shaking table tests to collapse of reinforced concrete walls were used to evaluate the effectiveness of the proposed device. Measured dynamic friction coefficients, spectral accelerations and hysteresis loops show that friction developed in the LMGS did not add any significant amount of damping into the specimen response. Thus, the proposed device is a reliable and suitable mass‐carrying sliding system (MCSS) for dynamic testing using medium‐size shaking tables. Copyright © 2010 John Wiley & Sons, Ltd.
Hysteretic shear–flexure interaction model of reinforced concrete columns for seismic response assessment of bridges
Authors: Xu Shi‐Yu , Zhang Jian
Published: July 2010

This paper presents the methodology, model description, and calibration as well as the application of a coupled hysteretic model to account for nonlinear shear–flexure interactive behavior of RC columns under earthquakes, a critical consideration for seismic demand evaluation of bridges. The proposed hysteretic model consists of a flexure and a shear spring coupled at element level, whose nonlinear behavior are governed by the primary curves and a set of loading/unloading rules to capture the pinching, stiffness softening, and strength deterioration of columns due to combined effects of axial load, shear force, and bending moment. The shear–flexure interaction (SFI) is considered both at section level when theoretically generating the primary curves and at element level through global and local equilibrium. The model is implemented in a displacement‐based finite element framework and calibrated against a large number of column specimens from static cyclic tests to dynamic shake table tests. The numerical predictions by the proposed model show very good agreement with experimental data for both flexure‐ and shear‐dominated columns. The application of the proposed model for seismic assessment of bridges has been successfully demonstrated for a realistic prototype bridge. The factors affecting the SFI and its significance on bridge system response are also discussed. Copyright © 2010 John Wiley & Sons, Ltd.
The effects of Soil–Structure Interaction on a reinforced concrete viaduct
Authors: Grange S. , Botrugno L. , Kotronis P. , Tamagnini C.
Published: July 2010

This paper presents a numerical strategy to model a three‐pier viaduct made of prestressed concrete. The viaduct was tested pseudodynamically in ELSA laboratory (JRC Ispra, Italy). During the experimental campaign, only the three piers were tested, whereas the behaviour of the deck was simulated using the finite element method. The first part of the paper presents a numerical model of the viaduct based on the Timoshenko multifibre beam elements and non‐linear constitutive laws. Comparisons with the experimental results show the good performance of the approach. In the second part, a parametric study is carried out showing the influence of Soil–Structure Interaction (SSI). Various types of soils are considered using a recently developed macro‐element representing a rigid shallow foundation. The macro‐element is suitable for dynamic (seismic) loadings and it takes into account the plasticity of the soil, the uplift of the foundation, P−θ effects and the radiative damping. Finally, the numerical results are compared with the ones coming from a classical engineering approach using linear elastic springs at the base of the piers. This comparison shows that SSI is a complex phenomenon inducing displacements and internal forces in the structure that are difficult to predict with the linear approach. Based on the results obtained in this paper, it seems now possible to use this approach to investigate numerically the behaviour of a wider variety of configurations. Copyright © 2010 John Wiley & Sons, Ltd.
Analytic performance evaluation of MIMO OFDM with pilot‐aided channel estimation on doubly selective channels
Authors: Carbonelli C. , Franz S.
Published: July 2010

In this work, the effects of channel estimation errors on the performance of a maximum likelihood detector (MLD) in a MIMO OFDM system are assessed. The analysis is conducted in the framework of a long‐term evolution (LTE) air interface and is based on a robust pilot aided channel estimator. The correlation coefficient between the estimate and the real channel is computed and the impact of interpolation errors on the detector is evaluated as a function of key design parameters such as the pilot spacing and the number of transmit antennas. The effect of partial knowledge of the channel statistics at the receiver side is studied with special emphasis on the role of the delay and Doppler spread of the channel. Our analysis accounts for both time and frequency selectivity of the channel and thus also for the intercarrier interference arising in a typical time varying propagation scenario. Copyright © 2010 John Wiley & Sons, Ltd.
Towards integrated community mental health teams for older people in England: progress and new insights
Authors: Wilberforce Mark , Harrington Val , Brand Christian , Tucker Sue , Abendstern Michele , Challis David
Published: July 2010

Objective

To investigate progress in joint working within community mental health teams for older people (CMHTsOP) against a range of national standards, and to consider team characteristics that may hinder or facilitate integrated practice.

Methods

A postal questionnaire was sent to the managers of all CMHTsOP in England. A total of 376 teams responded representing a response rate of 87.7%. Hypothesis testing and regression analysis, using a composite score based on nine indicators of integration, were conducted to address the study's aims.

Results

Whilst the study suggests that progress was being made against a number of key standards of joint working, the study finds that most teams could not access local authority service user records, nor were health staff within most teams able to commission social care services. After controlling for other characteristics, teams with the lowest levels of integration tended to work across multiple local authorities; were managed by a nurse; had high referral rates and were located in formally integrated Care Trusts.

Conclusions

Improved integration could develop by NHS Trusts and local authorities encouraging more information sharing, and further delegating powers to arrange social care services to CMHTOP members. The paper highlights team and locality features that appear to cause obstacles to joint working, but there is a clear gap in the evidence relating team structures and characteristics to the quality of patient care. Copyright © 2010 John Wiley & Sons, Ltd.
Comment on “Fast determination of the optimal rotational matrix for macromolecular superpositions” [J. Comp. Chem. 31, 1561 (2010)]
Authors: Kneller Gerald R.
Published: July 2010

Recently Liu et al. published a fast algorithm to solve the eigenvector problem arising in the quaternion‐based method for the rotational superposition of molecular structures (J Comput Chem 2010, 31, 1561.). In this Comment, it is shown that the construction of the 4 × 4 matrix to be diagonalized—and not the diagonalization itself—represents the dominating part of the computational effort for the quaternion‐based solution of the rotational superposition problem if molecules with more than about 100 atoms are considered. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
The bone marrow microenvironment contributes to type I diabetes induced osteoblast death
Authors: Coe Lindsay M. , Irwin Regina , Lippner Dennean , McCabe Laura R.
Published: July 2010

Type I diabetes increases an individual's risk for bone loss and fracture, predominantly through suppression of osteoblast activity (bone formation). During diabetes onset, levels of blood glucose and pro‐inflammatory cytokines (including tumor necrosis factor α (TNFα)) increased. At the same time, levels of osteoblast markers are rapidly decreased and stay decreased chronically (i.e., 40 days later) at which point bone loss is clearly evident. We hypothesized that early bone marrow inflammation can promote osteoblast death and hence reduced osteoblast markers. Indeed, examination of type I diabetic mouse bones demonstrates a greater than twofold increase in osteoblast TUNEL staining and increased expression of pro‐apoptotic factors. Osteoblast death was amplified in both pharmacologic and spontaneous diabetic mouse models. Given the known signaling and inter‐relationships between marrow cells and osteoblasts, we examined the role of diabetic marrow in causing the osteoblast death. Co‐culture studies demonstrate that compared to control marrow cells, diabetic bone marrow cells increase osteoblast (MC3T3 and bone marrow derived) caspase 3 activity and the ratio of Bax/Bcl‐2 expression. Mouse blood glucose levels positively correlated with bone marrow induced osteoblast death and negatively correlated with osteocalcin expression in bone, suggesting a relationship between type I diabetes, bone marrow and osteoblast death. TNF expression was elevated in diabetic marrow (but not co‐cultured osteoblasts); therefore, we treated co‐cultures with TNFα neutralizing antibodies. The antibody protected osteoblasts from bone marrow induced death. Taken together, our findings implicate the bone marrow microenvironment and TNFα in mediating osteoblast death and contributing to type I diabetic bone loss. J. Cell. Physiol. 226: 477–483, 2011. © 2010 Wiley‐Liss, Inc.
Synthetic approaches to regiospecifically mono‐ and dilabelled arenes
Authors: Gregson Thomas J. , Herbert John M. , Row Eleanor C.
Published: July 2010

A variety of methods for the preparation of selectively mono‐, di‐ or tri‐labelled arenes are reviewed. The review concentrates on those for which the application to labelled synthesis has been demonstrated. Further methods, the application of which to labelled synthesis appears viable but which have not been reduced to practise, are included also. The available methods provide a range of substitution patterns. Copyright © 2010 John Wiley & Sons, Ltd.
Fluorine‐18 labelling of a series of potential EGFRvIII targeting peptides with a parallel labelling approach using [18F]FPyME
Authors: Denholt Charlotte L. , Kuhnast Bertrand , Dollé Frédéric , Hinnen Francoise , Hansen Paul R. , Gillings Nic , Kjær Andreas
Published: July 2010

There is growing interest in the use of radiolabelled peptides as receptor targeting agents for diagnostic imaging of various cancer types using positron emission tomography. In this work, 1‐[3‐(2‐[18F]fluoropyridin‐3‐yloxy)propyl]pyrrole‐2,5‐dione ([18F]FPyME) has been used for parallel fluorine‐18 labelling of PEPHC1, a peptide selective towards the cancer‐specific mutation of the epidermal growth factor receptor (EGFRvIII), and a number of truncated and mutated analogues. Conjugation of the peptides with [18F]FPyME was achieved within 10 min in non‐decay‐corrected radiochemical yields of 30–50%. The high yield of the conjugation reaction combined with its short synthesis time allows the labelling of several peptides from a single batch of [18F]FPyME. Copyright © 2010 John Wiley & Sons, Ltd.