bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of climate change on the coupled dynamics of water and vegetation in drylands
Authors: Tietjen Britta , Jeltsch Florian , Zehe Erwin , Classen Nikolaus , Groengroeft Alexander , Schiffers Katja , Oldeland Jens
Published: August 2009

Drylands worldwide are exposed to a highly variable environment and face a high risk of degradation. The effects of global climate change such as altered precipitation patterns and increased temperature leading to reduced water availability will likely increase this risk. At the same time, an elevated atmospheric CO2 level could mitigate the effects of reduced water availability by increasing the water use efficiency of plants. To prevent degradation of drylands, it is essential to understand the underlying processes that affect water availability and vegetation cover. Since water and vegetation are strongly interdependent in water‐limited ecosystems, changes can lead to highly non‐linear effects. We assess these effects by developing an ecohydrological model of soil moisture and vegetation cover. The water component of the model simulates the daily dynamics of surface water and water contents in two soil layers. Vegetation is represented by two functional types: shrubs and grasses. These compete for soil water and strongly influence hydrological processes. We apply the model to a Namibian thornbush savanna and evaluate the separate and combined effects of decreased annual precipitation, increased temperature, more variable precipitation and elevated atmospheric CO2 on soil moisture and on vegetation cover. The results show that two main factors control the response of plant types towards climate change, namely a change in water availability and a change in water allocation to a specific plant type. Especially, reduced competitiveness of grasses can lead to a higher risk of shrub encroachment in these systems. Copyright © 2009 John Wiley & Sons, Ltd.
Spectroscopic Characterization and Conformational Properties of S‐(Fluoroformyl)‐O‐(acetyl) Thioperoxide and S‐(Fluoroformyl)‐O‐(trifluoroacetyl) Thioperoxide
Authors: Cuaquira Reina Marlene , Della Védova Carlos O. , Ulic Sonia E. , Willner Helge , Oberhammer Heinz
Published: August 2009

The conformational properties of FC(O)SOC(O)CH3 and FC(O)SOC(O)CF3 were studied by vibrational spectroscopy [IR (gas phase, Ar matrix), Raman (liquid phase)] and quantum chemical calculations (B3LYP and MP2 methods). For both compounds the syn‐gauche‐syn conformer with synperiplanar orientation of both carbonyl C=O bonds with respect to the S–O bond, and gauche orientation around the S–O bond (C1 symmetry) is the most stable structure [73(5) % for FC(O)SOC(O)CH3 and 82(5) % for FC(O)SOC(O)CF3]. For FC(O)SOC(O)CH3 two more conformers are observed in the Ar‐matrix spectra, 18(5) % syn‐trans‐syn with trans orientation around the S–O bond [φ(C–S–O–C) = 180°, C2 symmetry] and 9(5) % anti‐gauche‐syn with the FC(O) group oriented anti with respect to the S–O bond. The experimental free energy differences for these most stable forms of FC(O)SOC(O)CH3 are ΔG° = G°(syn‐trans‐syn) – G°(syn‐gauche‐syn) = 0.83(17) kcal mol–1 and ΔG° = G°(anti‐gauche‐syn) – G°(syn‐gauche‐syn) = 1.27(35) kcal mol–1, respectively. These values are well reproduced by the B3YLP/aug‐cc‐pVTZ method (0.76 and 1.23 kcal mol–1), but not by the MP2 approximation (2.72 and 1.28 kcal mol–1) For FC(O)SOC(O)CF3 only one more stable conformer, 18(5) % anti‐gauche‐syn, is observed. The experimental free energy difference between both rotamers of FC(O)SOC(O)CF3, ΔG° = G°(anti‐gauche‐syn) – G°(syn‐gauche‐syn) = 0.90(17) kcal mol–1, is reproduced very well by the B3YLP/6‐311++G** method (0.82 kcal mol–1) and reasonably well by B3LYP/aug‐cc‐pVTZ (1.17 kcal mol–1) and MP2/6‐31G* (1.23 kcal mol–1) calculations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Controllable Synthesis of Shuttle‐Shaped Ceria and Its Catalytic Properties for CO Oxidation
Authors: Sun Chunwen , Chen Liquan
Published: August 2009

Shuttle‐shaped ceria was obtained in a high yield via a surfactant octadecylamine and urea assisted solvothermal process. The crystalline structure and morphology were characterized with powder X‐ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM). Preliminary catalytic measurement shows that the shuttle‐shaped CeO2 exhibits an enhanced activity for CO oxidation, which may be attributed to its higher porosity and more oxygen vacancies.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Fatty acid composition of selected roes from some marine species
Authors: Rincón‐Cervera Miguel Ángel , Suárez‐Medina María Dolores , Guil‐Guerrero José Luis
Published: August 2009

Fifteen roes from different marine fish species available in Spain were analyzed in order to determine their fatty acid (FA) composition, especially the eicosapentaenoic acid (20:5n‐3, EPA) and docosahexaenoic acid (22:6n‐3, DHA) contents. Roes from Atlantic bonito (Sarda sarda), European squid (Loligo vulgaris), cuttlefish (Sepia spp.), lumpfish (Cyclopterus lumpus), European hake (Merluccius merluccius), Atlantic salmon (Salmo salar) and gonads of male Atlantic mackerel (Scomber scombrus) reached EPA + DHA amounts higher than 30% of the total FA, and among them, roes from lumpfish, European hake and salmon provide different FA type ratios that could make them adequate as dietary sources of EPA and DHA.
Biotransformation of glycidol by the unspecific wax ester synthase/acyl‐CoA:diacylglycerol acyltransferase of Acinetobacter baylyi ADP1
Authors: Kim Ok Bin , Luftmann Heinrich , Steinbüchel Alexander
Published: August 2009

Glycidol was biologically derivatized by the unspecific wax ester synthase/acyl coenzyme A (acyl‐CoA): diacylglycerol acyltransferase (WS/DGAT) from Acinetobacter baylyi ADP1 into glycidyl acyl ester. Catalysis of in vitro conversion of glycidol to glycidyl acyl ester by the WS/DGAT from A. baylyi was verified by (i) a radiometric assay, (ii) thin‐layer chromatography and (iii) also by ESI‐MS. A specific activity of 50 nmol·mg–1·min–1 was obtained when 10 mM glycidol and 5 µM palmitoyl‐CoA were used. In vivo synthesized glycidyl acyl esters in recombinant E. coli were detected and quantified by staining with the epoxide‐specific reagent 4‐(4‐nitrobenzyl)‐pyridine. Of glycidyl acyl esters, 1.5 mg/L was obtained from the culture in the presence of 10 mM glycidol and 10 mM oleate.
Biodiesel preparation in a batch emulsification reactor
Authors: Hájek Martin , Skopal František , Kwiecien Jiří
Published: August 2009

The transesterification of vegetable oils (rapeseed oil was used here) by low molecular weight alcohol is the most used method of biodiesel production. Since the reaction proceeds at the alcohol‐oil interface, it is necessary to create a large interphase surface area using a special emulsifying attachment. We studied how the conditions (e.g., independent variables: molar ratio alcohol to oil, amount of catalyst used, KOH, time and temperature of reaction, intensity of stirring, revolution of emulsifying attachment) affected the quality and quantity (dependent variables) of the ester phase, i.e., the biodiesel. The amount of used catalyst was calculated with respect to the content of free fatty acid in the oil. The statistical system of Plackett‐Burman was used for experiment planning. The relationship between independent and dependent variables was determined and described by multidimensional linear regression. Various statistical tests (principal component analysis, correlation matrix) were also performed.
Ethanolamines used for degumming of rapeseed and sunflower oils as diesel fuels
Authors: Zufarov Oybek , Schmidt Štefan , Sekretár Stanislav , Cvengroš Ján
Published: August 2009

Pure vegetable oils can be used as alternative fuel for standard unmodified diesel engines, provided the oil viscosity has been lowered by heating before they enter the fuel injection system. In its role as diesel fuel, a vegetable oil has to have, among other parameters, a low acidity and low contents of phosphorus and the alkali earth metals Ca + Mg. Such parameters can be achieved by appropriate partial refining of oil by degumming. In this article, three common ethanolamines, monoethanolamine (MEA), diethanolamine (DEA) and triethanolamine (TEA), were used as degumming agents for removing non‐hydratable phospholipids from crude rapeseed and sunflower oils. Among the studied ethanolamines, MEA is the most effective for the removal of phosphorus. After degumming with MEA (0.5 wt‐%), the phosphorus content in rapeseed oil was reduced from 445 to 3.5 ppm, and from 163 to 2.2 ppm in sunflower oil. After oil treatment with MEA (1.0 wt‐%), the residual content of Ca and Mg decreased from 136 to 4.2 ppm and from 55.4 to 1.1 ppm in rapeseed oil. In sunflower oil, the values of Ca and Mg decreased from 23.9 to 1.5 ppm and from 24.6 to 1.0 ppm. The acid value of the oils also decreased after degumming with ethanolamines. The advantage of this oil treatment process is that it takes place at ambient temperature, resulting in lower production costs and simpler technology.
Conformational Analysis and Optical Rotation of Carene β‐Amino Alcohols: A DFT Study
Authors: Łączkowski Krzysztof Z. , Baranowska Angelika
Published: August 2009

Four carene β‐amino alcohols are subject of conformational analysis and optical rotation calculations carried out by using density functional theory with the hybrid B3LYP functional and aug‐cc‐pVDZ basis set. Despite relatively small values of the experimental optical rotations and conformational flexibility of these systems, the correct sign for the specific rotation was predicted for three of studied cases.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
The role of the sediment budget in understanding debris flow susceptibility
Authors: Dong Jia‐Jyun , Lee Chyi‐Tyi , Tung Yu‐Hsiang , Liu Chia‐Nan , Lin Kuang‐Ping , Lee Jiin‐Fa
Published: August 2009

This study proposes a sediment‐budget model to predict the temporal variation of debris volume stored in a debris‐flow prone watershed. The sediment‐budget is dominated by shallow landslides and debris outflow. The basin topography and the debris volume stored in the source area of the debris‐flow prone watershed help evaluating its debris‐flow susceptibility. The susceptibility model is applied to the Tungshih area of central western Taiwan. The importance of the debris volume in predicting debris‐flow susceptibility is reflected in the standardized coefficients of the proposed statistical discriminant model. The high prediction rate (0·874) for the occurrence of debris flows justifies the capability of the proposed susceptibility models to predict the occurrence of debris flows. This model is then used to evaluate the temporal evolution of the debris‐flow susceptibility index. The analysis results show that the numbers of watershed which are classified as a debris‐flow group correspond well to storage of sediment at different time periods. These numbers are 10 before the occurrence of Chi‐Chi earthquake, 13 after the occurrence of Chi‐Chi earthquake, 16 after the occurrence of landslides induced by Typhoon Mindulle (Typhoon M), and 14 after the occurrence of debris flows induced by Typhoon M. It indicates that the occurrence of 7·6 Chi‐Chi earthquake had significant impact on the debris flow occurrence during subsequent typhoons. Copyright © 2009 John Wiley & Sons, Ltd.
Chemical composition and antimicrobial activity of the essential oil of Ferulago campestris (Besser) Grecescu growing in central Italy
Authors: Maggi Filippo , Tirillini Bruno , Papa Fabrizio , Sagratini Gianni , Vittori Sauro , Cresci Alberto , Coman Maria M. , Cecchini Cinzia
Published: August 2009

Essential oil from the flowers and leaves of Ferulago campestris (Apiaceae) from two collection sites in central Italy was analysed by GC–FID and GC–MS and 134 constituents were identified and quantified by calculating the response factors of FID. Monoterpene hydrocarbons constituted the main fraction of the flower oils, with α‐pinene, myrcene and γ‐terpinene as the major components. Sesquiterpenes gave the major contribution to the essential oils from the leaves, with the oxygenated components more abundant, α‐humulene, spathulenol and caryophyllene oxide being the most representative. The antimicrobial activity (as inhibition zone and MIC) of the essential oils from flowers was evaluated, using a panel of human opportunistic pathogenic bacteria and fungi, by the agar disc diffusion and broth microdilution methods: the Gram‐positive Bacillus subtilis (MIC = 155–310 μg/ml) and Enterococcus faecalis (MIC = 310 μg/ml), and the Gram‐negative Escherichia coli (MIC = 310–625 μg/ml) were found to be the most susceptible strains. Copyright © 2009 John Wiley & Sons, Ltd.
A weakly compressible MPS method for modeling of open‐boundary free‐surface flow
Authors: Shakibaeinia Ahmad , Jin Yee‐Chung
Published: August 2009

A mesh‐free particle method, based on the moving particle semi‐implicit (MPS) interaction model, has been developed for the simulation of two‐dimensional open‐boundary free‐surface flows. The incompressibility model in the original MPS has been replaced with a weakly incompressible model. The effect of this replacement on the efficiency and accuracy of the model has been investigated. The new inflow–outflow boundary conditions along with the particle recycling strategy proposed in this study extend the application of the model to open‐boundary problems. The final model is able to simulate open‐boundary free surface flow in cases of large deformation and fragmentation of free surface. The models and proposed algorithms have been validated and applied to sample problems. The results confirm the model's efficiency and accuracy. Copyright © 2009 John Wiley & Sons, Ltd.
SPEEK/Polyimide Blends for Proton Conductive MembranesPresented at the 1st CARISMA Conference, Progress MEA 2008, La Grande Motte, 21st–24th September 2008.
Authors: Maab H. , Schieda M. , Yave W. , Shishatskiy S. , Nunes S. P.
Published: August 2009

A series of membranes, based on sulphonated poly(ether ether ketone) (SPEEK)/polyimide (PI) blends, was prepared at different casting conditions. They were characterised by SEM, FTIR, DMTA, DSC, TGA, water/methanol pervaporation and impedance spectroscopy. The membranes prepared at 130 °C from blends with 10, 20 and 30 wt.‐% of PI are homogeneous, and the methanol permeabilities decreased from 28 × 10–10 kg m s–1 m–2 (plain SPEEK) to 7.21, 2.61 and 0.55 × 10–10 kg m s–1 m–2, respectively. This corresponds to a 4‐ to 57‐fold methanol crossover reduction. With this improvement, by the introduction of PI, the power density of SPEEK‐based membranes in DMFC tests could be greatly improved.
Glacier contribution to the North and South Saskatchewan Rivers
Authors: Comeau Laura E. L. , Pietroniro Al , Demuth Michael N.
Published: August 2009

The hydrological model WATFLOOD and a separate volume–area scaling relationship are applied to estimate glacier wastage and seasonal Melt contribution to the North and South Saskatchewan Rivers originating in the Canadian Rocky Mountains (1975–1998). Wastage is the ice melt volume that exceeds the volume of snow accumulation into the glacier system in a hydrological year, causing an annual net loss of glacier volume. Melt is the ice melt volume that is equal to, or less than, the volume of snow that accumulates into the glacier system in a hydrological year. By our definition then, glacier Melt is a storage term and does not contribute to increased total annual streamflow. Water is stored as snow on accumulation into the glacier system, and the water equivalent runoff is delayed until ice melts in the late summer months of the otherwise low streamflow. Wastage varied between basins with similar glacierized areas reflecting the individual response of glaciers to climate, contributing over 10% to July‐to‐September streamflow in some headwater basins, but under 3% annually to the regulated flow at Edmonton and Calgary. Melt was positively correlated with basin glacierized area and contributed over 27% to July‐to‐September flow from basins with greater than 1% glacierized area, and over double the wastage volume at Edmonton and Calgary. Future glacier decline is therefore expected to result mainly in an advancement of peak flow towards a non‐glacierized snowmelt regime hydrograph, resulting in significantly reduced late summer flows further reduced by decreasing wastage contributions. Copyright © 2009 John Wiley & Sons, Ltd and Her Majesty the Queen in right of Canada.
An ab initio potential energy surface and vibrational energy levels of ZnH2
Authors: Huang Zheng Guo , Yu Lei , Dai Yu Mei
Published: August 2009

A three‐dimensional potential energy surface of the electronic ground state of ZnH2 (${X}^1\sum _g^ +$) molecule is constructed from more than 7500 ab initio points calculated at the internally contracted multireference configuration interaction with the Davidson correction (icMRCI+Q) level employing large basis sets. The calculated relative energies of various dissociation reactions are in good agreement with the previous theoretical/experimental values. Low‐lying vibrational energy levels of ZnH2, ZnD2, and HZnD are calculated on the three‐dimensional potential energy surface using the Lanczos algorithm, and found to be in good agreement with the available experimental band origins and the previous theoretical values. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
Diagnostic accuracy of hospitalist‐performed hand‐carried ultrasound echocardiography after a brief training program
Authors: Lucas Brian P. , Candotti Carolina , Margeta Bosko , Evans Arthur T. , Mba Benjamin , Baru Joshua , Asbury Joseph K. , Asmar Abdo , Kumapley Rudolf , Patel Manish , Borkowsky Shane , Fung Sharon , Charles‐Damte Marjorie
Published: August 2009

BACKGROUND:

The duration of training needed for hospitalists to accurately perform hand‐carried ultrasound echocardiography (HCUE) is uncertain.

OBJECTIVE:

To determine the diagnostic accuracy of HCUE performed by hospitalists after a 27‐hour training program.

DESIGN:

Prospective cohort study.

SETTING:

Large public teaching hospital.

PATIENTS:

A total of 322 inpatients referred for standard echocardiography (SE) between March and May 2007.

INTERVENTION:

Blinded to SE results, attending hospitalist physicians performed HCUE within hours of SE.

MEASUREMENTS:

Diagnostic characteristics of HCUE as a test for 6 cardiac abnormalities assessed by SE: left ventricular (LV) systolic dysfunction; severe mitral regurgitation (MR); moderate or severe left atrium (LA) enlargement; moderate or severe LV hypertrophy; medium or large pericardial effusion; and dilatation of the inferior vena cava (IVC).

RESULTS:

A total of 314 patients underwent both SE and HCUE within a median time of 2.8 hours (25th to 75th percentiles, 1.4 to 5.1 hours). Positive and negative likelihood ratios for HCUE increased and decreased, respectively, the prior odds by 5‐fold or more for LV systolic dysfunction, severe MR regurgitation, and moderate or large pericardial effusion. Likelihood ratios changed the prior odds by 2‐fold or more for moderate or severe LA enlargement, moderate or severe LV hypertrophy, and IVC dilatation. Indeterminate HCUE results occurred in 2% to 6% of assessments.

CONCLUSIONS:

The diagnostic accuracy of HCUE performed by hospitalists after a brief training program was moderate to excellent for 6 important cardiac abnormalities. Journal of Hospital Medicine 2009;4:340–349. © 2009 Society of Hospital Medicine.
Diagnostic accuracy of a simple ultrasound measurement to estimate central venous pressure in spontaneously breathing, critically ill patients
Authors: Keller A. Scott , Melamed Roman , Malinchoc Michael , John Reverly , Tierney David M. , Gajic Ognjen
Published: August 2009

BACKGROUND:

Early goal‐directed therapy for severe sepsis or septic shock improves outcomes but requires placement of a central venous catheter to measure central venous pressure (CVP), which may delay timely resuscitation and cause catheter‐related complications. In addition, nonintensivists may not start early aggressive fluid resuscitation because of difficulty estimating CVP and concerns for inadvertent volume overload.

OBJECTIVE:

To determine if the CVP target of 8 to 12 mm Hg can be accurately assessed using noninvasive ultrasound to measure the internal jugular vein aspect ratio (height/width).

DESIGN:

Prospective observational study.

SETTING:

Two academic medical centers.

PARTICIPANTS:

Nineteen euvolemic volunteers and a convenience sample of 44 spontaneously breathing, critically ill patients.

MEASUREMENTS:

Ultrasound imaging of internal jugular vein aspect ratio; invasive CVP measurement in critically ill patients.

RESULTS:

For the volunteers, mean (standard deviation [SD]) aspect ratio of both the right and left internal jugular vein was 0.82 (0.07). Bland‐Altman analysis indicated moderate intraobserver and interobserver agreement. Aspect ratio was similar for right and left sides and between men and women. In the critically ill patients, ultrasound accurately estimated a CVP of 8 mm Hg; area under the receiver operating characteristics curve was 0.84. For an invasively measured CVP of <8 mm Hg, the likelihood ratio for a positive ultrasound test (aspect ratio <0.83) was 3.5 and for a negative test (aspect ratio ≥0.83) was 0.30.

CONCLUSIONS:

In this exploratory study, noninvasive ultrasound imaging of internal jugular vein aspect ratio accurately estimated a CVP of 8 mm Hg in spontaneously breathing, critically ill patients. Journal of Hospital Medicine 2009;4:350–355. © 2009 Society of Hospital Medicine.
Multi‐component analysis: blind extraction of pure components mass spectra using sparse component analysis
Authors: Kopriva Ivica , Jerić Ivanka
Published: August 2009

The paper presents sparse component analysis (SCA)‐based blind decomposition of the mixtures of mass spectra into pure components, wherein the number of mixtures is less than number of pure components. Standard solutions of the related blind source separation (BSS) problem that are published in the open literature require the number of mixtures to be greater than or equal to the unknown number of pure components. Specifically, we have demonstrated experimentally the capability of the SCA to blindly extract five pure components mass spectra from two mixtures only. Two approaches to SCA are tested: the first one based on ℓ1 norm minimization implemented through linear programming and the second one implemented through multilayer hierarchical alternating least square nonnegative matrix factorization with sparseness constraints imposed on pure components spectra. In contrast to many existing blind decomposition methods no a priori information about the number of pure components is required. It is estimated from the mixtures using robust data clustering algorithm together with pure components concentration matrix. Proposed methodology can be implemented as a part of software packages used for the analysis of mass spectra and identification of chemical compounds. Copyright © 2009 John Wiley & Sons, Ltd.
Selective J‐resolved HMBC, an efficient method for measuring heteronuclear long‐range coupling constants
Authors: Furihata Kazuo , Tashiro Mitsuru , Seto Haruo
Published: August 2009

An efficient pulse sequence for measuring long‐range CH coupling constants (JCH) named selective J‐resolved HMBC has been developed by replacing a 1H 180° pulse with a selective 1H 180° pulse and the HMBC pulse scheme with the constant time (CT) HMBC employed in the J‐resolved HMBC pulse sequence that we reported previously. The novel pulse sequence providing only long‐range JCH cross peaks for easy and accurate analysis enables to overcome disadvantages of the previous HMBC‐based pulse sequences (J‐resolved HMBC‐1) along with maintaining high sensitivity. The efficiency of measuring long‐range JCH using the proposed pulse sequence has been demonstrated in applications to the complicated natural products, portmicin and monazomycin. Copyright © 2009 John Wiley & Sons, Ltd.
E.E. Just's “independent irritability” revisited: The activated egg as excitable soft matter
Authors: Newman Stuart A.
Published: August 2009

Ernest Everett Just's experimental work on post‐fertilization events in invertebrate eggs led him to posit a dynamic and directive role for the zygotic “ectoplasm” (cortical cytoplasm), in subsequent development. His perspective was neglected during the years that followed his early death not only because of his well‐documented marginalization as an African‐American in U.S. science, but because his ideas were at odds with the growing gene‐centrism of developmental biology in the latter half of the 20th century. This essay reviews experimental work that shows that the egg cortex in many animal groups is a chemically and mechanically active medium that sustains both spatiotemporal calcium ion transients and periodic deformations in the time leading up to cleavage. These wave phenomena are seen to play regulatory roles in germ plasm localization and gene expression, and influence the reliability and success of developmental outcomes. Just resisted vitalistic explanations for the active processes he observed and inferred regarding the egg cortical cytoplasm, but recognized that the physics and chemistry of his time were inadequate to account for these phenomena and anticipated that expansions of these fields would be necessary to explain them. Here again he proved prescient. Late 20th century developments in the physics of “excitable media” and “soft matter” have provided the bases for models, some of which are described here, of chemical and mechanochemical wave propagation in the activated egg cortex. Lastly, the implications of these post‐fertilization phenomena for animal evolution, a problem also addressed by Just, are discussed. Mol. Reprod. Dev. 76: 966–974, 2009. © 2009 Wiley‐Liss, Inc.
Influence of inherent anisotropy on mechanical behavior of granular materials based on DEM simulations
Authors: Mahmood Zafar , Iwashita Kazuyoshi
Published: August 2009

We study the influence of inherent anisotropy, i.e. bedding angle on stress–strain behavior and shear band formation in quasi‐static granular media. Plane strain biaxial tests are carried out using two‐dimensional distinct element method (DEM). Oval/elliptical‐shaped particles are generated by overlapping the discrete circular elements. Particle assemblies with four different bedding angles are tested. Evolution of the microstructure inside and outside the shear band and effect of bedding angle on the microstructure are investigated. Influence of bedding angle on fabric and force anisotropy is studied. It is found that by using non‐circular particles, generation of large voids and excess particle rotations inside the shear band are reproduced in a quite similar manner to those of the natural granular soils, which are difficult to produce with standard DEM simulations using circular particles. Copyright © 2009 John Wiley & Sons, Ltd.
Immersed particle method for fluid–structure interaction
Authors: Rabczuk Timon , Gracie Robert , Song Jeong‐Hoon , Belytschko Ted
Published: August 2009

A method for treating fluid–structure interaction of fracturing structures under impulsive loads is described. The coupling method is simple and does not require any modifications when the structure fails and allows fluid to flow through openings between crack surfaces. Both the fluid and the structure are treated by meshfree methods. For the structure, a Kirchhoff–Love shell theory is adopted and the cracks are treated by introducing either discrete (cracking particle method) or continuous (partition of unity‐based method) discontinuities into the approximation. Coupling is realized by a master–slave scheme where the structure is slave to the fluid. The method is aimed at problems with high‐pressure and low‐velocity fluids, and is illustrated by the simulation of three problems involving fracturing cylindrical shells coupled with fluids. Copyright © 2009 John Wiley & Sons, Ltd.
Variational approach to the analysis of steady‐state thermo‐elastic wear regimes
Authors: Páczelt Istvan , Mróz Zenon
Published: August 2009

A transient wear process on frictional interface of two thermo‐elastic bodies in a relative steady sliding motion induces shape evolution of contact interface and tends to a steady state for which the wear process occurs at fixed contact stress and strain distribution. The temperature field generated by frictional and wear dissipation on the contact surface is assumed to reach a steady state. This state is assumed to correspond to minimum of the wear dissipation power and the temperature field corresponds to maximum of the heat entropy production. The stationarity conditions of the response functionals provide the contact pressure distribution and the corresponding temperature field. The present approach extends the authors previous analyses of optimal or steady‐state contact shapes by accounting for coupled wear and thermal distortion effects.

The wear rule is assumed as a non‐linear relation of wear rate to shear stress and relative sliding velocity. The analysis of disk and drum brakes is presented with account for thermal distortion effect. It is shown that the contact shape in a steady thermo‐elastic state essentially differs from that specified for mechanical loading with neglect of thermal effects. The thermal instability regimes are not considered in the paper. Copyright © 2009 John Wiley & Sons, Ltd.
Life‐style changes of a halophilic archaeon analyzed by quantitative proteomics
Authors: Tebbe Andreas , Schmidt Alexander , Konstantinidis Kosta , Falb Michaela , Bisle Birgit , Klein Christian , Aivaliotis Michalis , Kellermann Josef , Siedler Frank , Pfeiffer Friedhelm , Lottspeich Friedrich , Oesterhelt Dieter
Published: August 2009

Quantitative proteomics based on isotopic labeling has become the method of choice to accurately determine changes in protein abundance in highly complex mixtures. Isotope‐coded protein labeling (ICPL), which is based on the nicotinoylation of proteins at lysine residues and free N‐termini was used as a simple, reliable and fast method for the comparative analysis of three different cellular states of the halophilic archaeon Halobacterium salinarum through pairwise comparison. The labeled proteins were subjected to SDS‐PAGE, in‐gel digested and the proteolytic peptides were separated by LC and analyzed by MALDI‐TOF/TOF MS. Automated quantitation was performed by comparing the MS peptide signals of 12C and 13C nicotinoylated isotopic peptide pairs. The transitions between (i) aerobic growth in complex versus synthetic medium and (ii) aerobic versus anaerobic/phototrophic growth, both in complex medium, provide a wide span in nutrient and energy supply for the cell and thus allowed optimal studies of proteome changes. In these two studies, 559 and 643 proteins, respectively, could be quantified allowing a detailed analysis of the adaptation of H. salinarum to changes of its living conditions. The subtle cellular response to a wide variation of nutrient and energy supply demonstrates a fine tuning of the cellular protein inventory.
N‐Methylbenzoazacrown ethers with the nitrogen atom conjugated with the benzene ring: the improved synthesis and the reasons for the high stability of complexes with metal and ammonium cations
Authors: Gromov Sergey P. , Dmitrieva Svetlana N. , Vedernikov Artem I. , Kurchavov Nikolay A. , Kuz'mina Lyudmila G. , Strelenko Yuri A. , Alfimov Michael V. , Howard Judith A. K.
Published: August 2009

An improved method for the synthesis of formyl derivatives of N‐methylbenzoazacrown ethers is proposed. They are prepared in up to 68% yields over fewer steps and with a much shorter time required for the last step. The stability constants of complexes formed by N‐methylbenzoazacrown ethers and their structural analogs with alkali metal, alkaline‐earth metal and ammonium cations were determined by 1H NMR titration in CD3CN. High stability of complexes of N‐methyl derivatives of benzoazacrown ethers is demonstrated, comparable with or even exceeding the stability of benzocrown‐ether complexes and markedly exceeding the stability of complexes of phenylazacrown ethers with the same macrocycle size. The structures of azacrown ethers and their complexes with Ba(ClO4)2 were studied by X‐ray diffraction. A high degree of pre‐organization of N‐methylbenzoazacrown ethers toward the formation of complexes with metal and ammonium cations was noted, which is due to the clear‐cut pyramidal geometry of the nitrogen atom and the orientation of the lone electron pairs (LEPs) of most heteroatoms towards the centre of the macroheterocycle. Copyright © 2009 John Wiley & Sons, Ltd.
How does the s(E + N) equation work? Comparisons with a modified Swain–Scott equation (E + sN) and revision of the N1 scale of solvent nucleophilicity
Authors: Bentley T. William
Published: August 2009

Modifications of the Swain–Scott equation (log k/k0) = sn) give an equation log k1 = (E + sN1′); k1 is the rate constant, E is an electrophilicity parameter, N1′ is a solvent nucleophilicity parameter and s is an electrophile‐specific sensitivity parameter. The equation is tested using over 300 published first‐order rate constants (k1) for decay of a range of benzhydrylium cations in various solvents, on which the published N1 scale of solvent nucleophilicity is based (S. Minegishi, S. Kobayashi and H. Mayr, J. Am. Chem. Soc. 2004, 126, 5174–5181) using the alternative equation log k = s(E + N1), in which s is a nucleophile‐specific parameter. The modified (E + sN1′) equation provides a revised N1′ scale of solvent nucleophilicity, and a more precise fit, with less than half the number of adjustable parameters. It is found that the sensitivities of the benzhydrylium cations to changes in solvent nucleophilicity decrease slightly as reactivity increases, in contrast to s(E + N) equations, which show no trends in s values. It is proposed that more reliable N scales can be defined using (E + sN), because N is determined directly from definitions, and residual errors (e.g. experimental or due to solvation effects) can be incorporated into the slope and intercept. The complex reasons for the success of equations of the type log k = s(E + N) are discussed. Copyright © 2009 John Wiley & Sons, Ltd.
Preface: Phys. Status Solidi C 6/8
Authors: Rabier Jacques , Le Bourhis Eric , Conference Chairmen
Published: August 2009

This proceedings issue of physica status solidi contains papers presented as oral and poster contributions at the International Conference on Extended Defects in Semiconductors (EDS 2008). This conference was held in France at the new campus of Poitiers University situated in the Futuroscope area on 14–19 September 2008 and was organized by PHYMAT laboratory (UMR 6630 of CNRS and University of Poitiers). The EDS conference series was inaugurated in Hünfeld (Germany) and was followed by conferences in Poland, France, Great Britain, Germany, and Russia. The EDS 2008 is the direct follower of the conferences of 2004 held in Chernogolovka (Russia) and 2006 in Halle (Germany).

The aim of the conference was to provide a forum on the current state‐of‐the‐art of investigation and modelling of extended defects in semiconductors in order to achieve a deeper understanding of lattice imperfections, their interaction, and their role in the development of semiconductor technology. The following main topics were covered:

– Relation between extended defects and nanostructures in semiconductors

– Defect structure: defect imaging and modelling

– Electronic structure of extended defects

– Mechanical properties and dislocations: nucleation and dynamics

– Interaction between defects

– Structure of strained layers

– Defects in thin films and interfaces, interface structures

– Role of extended defects in devices, defects engineering

– Narrow and wide band gap materials

– Defects in solar cell materials and photovoltaic devices

– Embedded semiconductor nanoparticles, quantum dot like “extended defects”

– Implantation‐induced extended defects

As a new approach, we emphasized semiconductor behaviour under severe environment (high temperature, complex and high stress field and irradiation). Indeed, both experimental and modelling approaches of extended defect nucleation and properties deserve challenging understanding under these harsh conditions, in which important applications are expected for semiconductors.

We wish to thank the members of the EDS 2008 Scientific and Organizing Committees, the sponsors, as well as the referees and authors who made this conference and proceedings a success. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Copper source/drain electrode contact resistance effects in amorphous indium–gallium–zinc‐oxide thin film transistors
Authors: Kim Woong‐Sun , Moon Yeon‐Keon , Lee Sih , Kang Byung‐Woo , Kwon Tae‐Seok , Kim Kyung‐Taek , Park Jong‐Wan
Published: August 2009

This paper focuses on the viability of low‐resistivity electrode material (Cu) for source/drain electrodes in thin film transistors (TFTs). The effective resistances between Cu source/drain electrodes and amorphous indium gallium zinc oxide (a‐IGZO) thin‐film transistors were examined. Intrinsic TFT parameters were extracted by the transmission line method (TLM) using a series of TFTs with different channel lengths measured at a low source/drain voltage. The TFTs fabricated with Cu source/drain electrodes showed good transfer characteristics with a field‐effect mobility of 9.64 cm2/Vs, and good output characteristics with steep rise in the low VDS region. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Analysis of in‐flight vibration of a twin‐engine turbo propeller aircraft
Authors: Dunno Kyle , Batt Gregory
Published: August 2009

A data recorder was utilized to record in‐flight vibration of a twin engine turbo propeller (feeder) aircraft. The data recorded produced power spectral density (PSD) profiles which are currently used in laboratory settings to drive vibration tables in order to simulate a particular vehicle type. Overall Grms values were averaged and compared to previous research studies.

The data collected from this research study could be utilized for packaging research when developing products and packages that will pass through a distribution cycle which includes transportation via a feeder aircraft. One example of this type of distribution cycle is the small parcel shipping environment. The PSD profiles which were analyzed from this research could simulate in‐flight aircraft vibration of the aircraft chassis in a laboratory environment. This will enable further research in the air transport environment. Copyright © 2009 John Wiley & Sons, Ltd.
Bayesian analysis for weighted mean‐squared error in dual response surface optimization
Authors: Jeong In‐Jun , Kim Kwang‐Jae , Lin Dennis K. J.
Published: August 2009

Dual response surface optimization considers the mean and the variation simultaneously. The minimization of mean‐squared error (MSE) is an effective approach in dual response surface optimization. Weighted MSE (WMSE) is formed by imposing the relative weights, (λ, 1−λ), on the squared bias and variance components of MSE. To date, a few methods have been proposed for determining λ. The resulting λ from these methods is either a single value or an interval. This paper aims at developing a systematic method to choose a λ value when an interval of λ is given. Specifically, this paper proposes a Bayesian approach to construct a probability distribution of λ. Once the distribution of λ is constructed, the expected value of λ can be used to form WMSE. Copyright © 2009 John Wiley & Sons, Ltd.
Multivariate charting techniques: a review and a line‐column approach
Authors: Butte Vijay Kumar , Tang Loon Ching
Published: August 2009

The primary objective of multivariate statistical process control is to monitor the related process quality characteristics over time and identify the assignable causes affecting the process using multivariate control charts. When an out‐of‐control signal is obtained from the chart, it is imperative to be able to detect the component variables that have gone out‐of‐control. In this paper we propose a new charting procedure for T2, multivariate exponentially weighted moving average and multivariate cumulative sum control charts. The proposed charts will facilitate in identification of the source of out‐of‐control signal and are simple, economical and easier to implement. Copyright © 2009 John Wiley & Sons, Ltd.
Characterization of covalent immobilization on the surface of optical fibers by scanning electron microscopy and energy dispersive X‐ray spectrometry
Authors: Wang Yiming , Pang Xiaofeng , Zhang Yuyu , Wang Hongzhi
Published: August 2009

Chemical modifications on the surface of optical fibers have played an important role in the immobilization of biological recognition molecules. In this article, the specific goal was to characterize the covalent bond on the surface of optical fiber by scanning electron microscopy and energy dispersive X‐ray spectrometry (EDS) and chemical analysis after silanization. Optical fibers pretreated with hydrofluoric acid and piranha solution were silanized in the 3‐aminopropyltriethoxysilane solution, then microscopic components of silanized optical fibers were determined to validate the silanization. Results showed that carbon atom was measured with EDS, and the ratio of silicon and oxygen atom was 1:3.6 on its surface by calculation. Fluorescence experiments on the short silanized optical fiber segments indicated that the intensity of fluorescence was relatively weak and reached equilibrium after 3 h. Both methods, EDS and fluorescence test, were effective to characterize the covalent bond of different silanes and biological recognition molecules on the optical fibers for biosensor applications. Copyright © 2009 John Wiley & Sons, Ltd.
XANES characteristics of tribofilms generated by dithiophosphate additive in water at different test temperatures and durations
Authors: Ma Haibing , Qiao Rui , Li Yilin , Chen Huan , Ren Tianhui
Published: August 2009

Water‐based lubricants and metal‐working fluids are becoming more and more popular in modern manufacturing due to environmental concerns. Owing to the poor lubricating properties offered by pure water, additives are generally needed to improve the antiwear and extreme pressure properties. In the present work, the tribological behaviors of synthesized additives in water‐based lubricants are studied for different durations and temperatures by a four‐ball machine, and the worn surfaces were analyzed by scanning electron microscopy (SEM) and X‐ray absorption near‐edge structure (XANES) spectroscopy. It was found that the tribological properties changed with the duration and temperature, and the tribofilms mainly consisted of an adsorbed layer and a tribochemical layer. The compositions of tribofilms also changed with duration and temperature, and the different compositions of tribofilms would result in different tribological properties accordingly. Copyright © 2009 John Wiley & Sons, Ltd.
Psychological distress and collision involvement among adult drivers
Authors: Mann Robert E. , Asbridge Mark , Stoduto Gina , Smart Reginald G. , Goldbloom David S. , Vingilis Evelyn R. , Wickens Christine M.
Published: August 2009

The current study examines the impact of psychological distress on the likelihood of reporting collision involvement in the preceding year. Two measures of psychological distress were obtained from the 12‐item General Health Questionnaire (GHQ‐12): depression–anxiety and social functioning.

Data are based on the 2002–2004 Centre for Addiction and Mental Health Monitor (36 months), a repeated cross‐sectional telephone survey of Ontario adults aged 18 and older (n = 4935). Logistic regression analyses were performed on collision involvement within the past 12 months with the measures of depression–anxiety, social functioning and demographic factors as independent variables.

The analyses revealed that the odds of involvement in a collision in the last 12 months were significantly related to the demographic factors of age, location of residence, income, educational level and marital status. After controlling for demographic factors, the odds of collision involvement increased significantly as the depression–anxiety score increased (odds ratio = 1.05 for each unit increase).

These results suggest that higher levels of psychological distress, as indicated by scores on the depression–anxiety scale of the GHQ‐12, are associated with higher likelihood of collision involvement in the previous year. Research to understand the link observed here between distress and collision risk in the general population is needed. Copyright © 2009 John Wiley & Sons, Ltd.
Die Entwicklung der orthotropen Fahrbahnplatte in Deutschland
Authors: Fiedler Erich
Published: August 2009

Es wird die Entwicklung der orthotropen Platte von den ersten von Schaechterle und Leonhardt gestalteten Konstruktionen bis hin zu den konstruktiv und technologisch ausgereiften stählernen Fahrbahntafeln bei den neuesten stählernen Straßenbrücken der letzten Jahre beschrieben. Dabei werden insbesondere die im Entwicklungszeitraum angewendeten unterschiedlichen Rippenformen mit ihren Kreuzungspunkten an den Querträgern und die Ausführung der Montagestöße detailliert beschrieben. Technische Parameter der orthotropen Platte ausgeführter Stahlbrücken werden für torsionsweiche und torsionssteife Rippenformen tabellarisch getrennt erfasst. Schäden infolge Verkehrsbelastung und Fehler bei der Herstellung von orthotropen Platten werden erwähnt.

The development of the orthotropic roadway‐plate in Germany.

The development of the orthotropic plate beginning with the first of Schaechterle and Leonhardt created constructions till to the constructive and technological ingenious steel‐plates of the ultimate years is described. Especially the different types of ribs while the period of development inclusive the crosspoints at the crossbeams and their erection connections are special described. Technical parameter of the orthotropic plates of executed steel‐bridges are for ribs with and without torsional constant tabulated registered. Defects by traffic and faults by erection of the orthotropic plates are mentioned.
Inverse agonist histamine H3 receptor PET tracers labelled with carbon‐11 or fluorine‐18
Authors: Hamill Terence G. , Sato Nagaaki , Jitsuoka Makoto , Tokita Shigeru , Sanabria Sandra , Eng Waisi , Ryan Christine , Krause Stephen , Takenaga Norihiro , Patel Shil , Zeng Zhizhen , Williams David , Sur Cyrille , Hargreaves Richard , Burns H. Donald
Published: August 2009

Two histamine H3 receptor (H3R) inverse agonist PET tracers have been synthesized and characterized in preclinical studies. Each tracer has high affinity for the histamine H3 receptor, has suitable lipophilicity, and neither is a substrate for the P‐glycoprotein efflux pump. A common phenolic precursor was used to synthesize each tracer with high specific activity and radiochemical purity by an alkylation reaction using either [11C]MeI or [18F]FCD2Br. Autoradiographic studies in rhesus monkey and human brain slices showed that each tracer had a widespread distribution with high binding densities in frontal cortex, globus pallidus and striatum, and lower uptake in cerebellum. The specificity of this expression pattern was demonstrated by the blockade of the autoradiographic signal by either the H3R agonist R‐α‐methylhistamine or a histamine H3R inverse agonist. In vivo PET imaging studies in rhesus monkey showed rapid uptake of each tracer into the brain with the same distribution seen in the autoradiographic studies. Each tracer could be blocked by pretreatment with a histamine H3R inverse agonist giving a good specific signal. Comparison of the in vitro metabolism of each compound showed slower metabolism in human liver microsomes than in rhesus monkey liver microsomes, with each compound having a similar clearance rate in humans. The in vivo metabolism of 1b in rhesus monkey showed that at 60 min, ∼35% of the circulating counts were due to the parent. These tracers are very promising candidates as clinical PET tracers to both study the histamine H3R system and measure receptor occupancy of H3R therapeutic compounds. Synapse 63:1122–1132, 2009. © 2009 Wiley‐Liss, Inc.