bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal Response Variability of Random Polycrystalline Microstructures
Authors: Wen Bin , Li Zheng , Zabaras Nicholas 
Published: June 2011

AbstractA data-driven model reduction strategy is presented for the representation of random polycrystal microstructures. Given a set of microstructure snapshots that satisfy certain statistical constraints such as given low-order moments of the grain size distribution, using a non-linear manifold learning approach, we identify the intrinsic low-dimensionality of the microstructure manifold. In addition to grain size, a linear dimensionality reduction technique (Karhunun-Loéve Expansion) is used to reduce the texture representation. The space of viable microstructures is mapped to a low-dimensional region thus facilitating the analysis and design of polycrystal microstructures. This methodology allows us to sample microstructure features in the reduced-order space thus making it a highly efficient, low-dimensional surrogate for representing microstructures (grain size and texture). We demonstrate the model reduction approach by computing the variability of homogenized thermal properties using sparse grid collocation in the reduced-order space that describes the grain size and orientation variability.
Velocity-Based Moving Mesh Methods for Nonlinear Partial Differential Equations
Authors: Baines M. J. , Hubbard M. E. , Jimack P. K. 
Published: June 2011

AbstractThis article describes a number of velocity-based moving mesh numerical methods for multidimensional nonlinear time-dependent partial differential equations (PDEs). It consists of a short historical review followed by a detailed description of a recently developed multidimensional moving mesh finite element method based on conservation. Finite element algorithms are derived for both mass-conserving and non mass-conserving problems, and results shown for a number of multidimensional nonlinear test problems, including the second order porous medium equation and the fourth order thin film equation as well as a two-phase problem. Further applications and extensions are referenced.
Corrosion Behavior of SiCp/6061 Al Metal Matrix Composites
Authors: Sun H. , Koo E. Y. , Wheat H. G. 
Published: June 2011

Abstract
The corrosion behavior of silicon carbide/aluminum (SiCp/Al) metal matrix composites was studied in chloride solution by means of electrochemical techniques, scanning electron microscopy (SEM), Auger electron spectroscopy (AES), energy dispersive spectroscopy (EDS), and X-ray diffraction. The materials under investigation were powder metallurgy (P/M) processed 6061 Al reinforced with increasing amounts of SiC particles (15 to 40 vol%). Electrochemical tests such as potentiodynamic polarization were done in 0.035, 0.35, and 3.5% NaCl solutions that were open to air, aerated, or deaerated to observe overall corrosion behavior. In addition, pit morphology was observed after anodic polarization to a number of potentials. It was seen that the corrosion potentials did not vary greatly or show definite trends in relation to the amounts of SiCp reinforcement. However, the degree of corrosion increased with increasing SiCp content and the presence or absence of oxygen as well as the concentration of the NaCl solution did affect corrosion potentials. Microscopic analysis techniques were used to study the corroded samples and the extensive pitting and exfoliation of the surfaces. X-ray diffraction was used to identify the compounds on the surface of the corroded samples as well as the flakes due to exfoliation.
Surface and Corrosion Study of Laser-Processed Zirconium Alloys
Authors: Rawers J. , Reitz W. , Bullard S. , Roub E. K. 
Published: June 2011

Abstract
Reactor Grade Zirconium (Zircaloy-2) was laser-glazed and laser-alloyed with nickel (Ni) or chromium (Cr) powders. Laser alloying produced a surface that was macroscopically, chemically homogeneous. However, at the microscopic level the melt zone was a mixture of microcrystalline pure zirconium (Zr) and extremely fine grain, or possibly amorphous, solid solution regions of Zr and alloying elements. Corrosion tests (potentiodynamic and long-term immersion) were conducted in 10% FeCl3 solution. The potentiodynamic tests showed icorr and Ecorr were a strong function of surface conditioning, altered by grit-blasting, laser processing, acid cleaning, and heat treating. Significant improvement was achieved in corrosion resistance by laser-glazing and laser-alloying.
Stress Corrosion Cracking Behavior of 90/10 Cu-Ni Alloy in Sodium Sulfide Solutions
Authors: Islam M. , Riad W. T. , Al-Kharraz S. , Abo-Namous S. 
Published: June 2011

Abstract
The stress corrosion cracking (SCC) of 90/10 Cu-Ni alloy in sulfide solutions is not reported in the literature. The SCC behavior of the alloy was studied in dilute and concentrated Na2S solutions at room temperature. The alloy was found to be susceptible to SCC under slow strain rate conditions in the concentrated (0.1 to 1 M) sulfide solutions, but not in the dilute (0.002 to 0.03 M) solutions.
On the basis of electrochemical data and EPMA analysis of the metal/film interface of the cracked samples, the mechanism of cracking can possibly be attributed to a dealloying (selective dissolution) phenomenon where the copper matrix but not the solute Ni is selectively removed.
Implication of the toll‐like receptor 4 pathway in the response to interferon‐β in multiple sclerosis
Authors: Bustamante Marta F. , Fissolo Nicolás , Río Jordi , Espejo Carmen , Costa Carme , Mansilla María José , Lizasoain Ignacio , Angeles Moro María , Carmen Edo Mari , Montalban Xavier , Comabella Manuel 
Published: June 2011

AbstractObjective:Interferon‐beta (IFNβ) has demonstrated beneficial effects reducing disease activity in multiple sclerosis (MS) patients, but a relatively large proportion of patients do not respond to treatment. Here we aimed to investigate the roles of the Toll‐like receptor 4 (TLR4) and the type I IFN pathways in the response to IFNβ in MS patients.Methods:The expression levels of several components of the TLR4 and the type I IFN pathways were determined by flow cytometry and real‐time polymerase chain reaction (PCR) in peripheral blood mononuclear cells (PBMCs) from a cohort of 85 MS patients treated for at least 2 years with IFNβ and classified into responders, intermediate responders, and nonresponders based on their clinical response to treatment. Thirty‐two healthy controls were also included in the study for comparison purposes.Results:Compared to responders and controls, PBMCs from nonresponders and intermediate responders were characterized by increased baseline expression levels of endogenous IFNβ and elevated IFN receptor 1 (IFNAR1) expression in monocytes. Furthermore, the capacity of IFNβ to induce its own expression was deficient in cells from nonresponders compared with responders. Baseline expression of the interleukin‐1 receptor‐associated kinase 3 (IRAK3), a negative regulator of TLR4 signaling primarily expressed in monocytes, was found to be significantly decreased in IFNβ responders compared with nonresponders.Interpretation:These findings provide evidence of the involvement of the TLR4 and type I IFN signaling pathways in the response to IFNβ. ANN NEUROL 2011;70:634–645
Platinum–Acetylide Polymers with Higher Dimensionality for Organic Solar Cells
Authors: Wang Qiwei , He Zhicai , Wild Andreas , Wu Hongbin , Cao Yong , S. Schubert Ulrich , Chui Chung‐Hin , Wong Wai‐Yeung 
Published: June 2011

AbstractA new series of platinum(II)‐acetylide polymers P1, P2, P3 containing thiophene‐triarylamine chromophores of different dimensions were synthesized and their electronic band structures, field‐effect charge transport, and application in bulk heterojunction solar cells were evaluated. These materials are soluble in polar organic solvents and show strong absorptions in the solar spectra (with the highest absorption coefficient of 1.59×105 cm−1 from thin films), thus rendering them excellent candidates for bulk heterojunction polymer solar cells. The spin‐coated polymer thin films showed p‐channel field‐effect charge transport with hole mobilities of 1.90×10−5 to 7.86×10−5 cm2 V−1 s−1 for P1, P2, P3 and an improved charge carrier transport was found for P2 with higher molecular dimensionality than P1. The dependence of their photovoltaic properties and dimensionality was also investigated. Even if the polymers possess relatively high bandgaps and narrow absorption bandwidths, the highest power conversion efficiency of 2.24 % can be obtained based on blends of P3 with [6,6]phenyl‐C61‐butyric acid methyl ester (PCBM) (1:5, w/w) under AM1.5 simulated solar illumination. The present work indicates that multidimensional polymers exhibit a better photovoltaic performance over the linear polymers under the same measurement conditions and can provide an attractive approach to developing highly efficient conjugated metallopolymers for efficient power generation.
Palladium(II)‐Catalyzed Oxidative Cascade Cyclization Reactions of Anilides and Anilines: Scope and Mechanistic Investigations
Authors: Yip Kai‐Tai , Yang Dan 
Published: June 2011

AbstractWith Pd(OAc)2/pyridine as the catalyst system and molecular oxygen as a green oxidant, acrylanilides and N‐allylanilines undergo oxidative cascade cyclization to form heterocyclic rings in high yields. This methodology is applicable to acrylanilides of different substitution patterns on olefinic units. Mechanistic studies revealed that cyclization of acrylanilides proceeded through an intramolecular syn‐amidopalladation pathway. The reversible nature of amidopalladation serves as a “scavenging process” to prevent β‐hydride elimination from occurring halfway through the catalytic cycle, thus favoring the formation of cascade cyclization products. In addition, internal coordination between an σ‐alkylpalladium species and a tethered olefinic CC double bond also appears to disfavor β‐hydride elimination.
Minimal cells: Relevance and interplay of physical and biochemical factors
Authors: Stano Pasquale 
Published: June 2011

AbstractResearch on the construction of minimal cell‐like systems is continuously progressing. The aim is to assemble a synthetic or semi‐synthetic cell by encapsulating the minimal set of different macromolecules into a lipid vesicle (liposome). Synthetic cells have their relevance as new biotechnological tool for use in synthetic biology and in research into the origin of life. In recent years, several technical advances have been reported and reviewed, but most deal with the biochemical and molecular biology of protein synthesis inside liposomes, whereas a discussion on the importance and the interplay of some physical factors has not been discussed. In this short review, we comment on physical aspects, such as compartment formation and solute entrapment, and on the nature of lipid membrane. Emphasis is given to their relevance for the technology of construction of synthetic cells, and for new aspects of vesicle population studies.
In vitro Sortagging of an Antibody Fab Fragment: Overcoming Unproductive Reactions of Sortase with Water and Lysine Side Chains
Authors: Möhlmann Sina , Mahlert Christoph , Greven Simone , Scholz Peter , Harrenga Axel 
Published: June 2011

AbstractSortase A from Staphylococcus aureus attracts growing interest for its use in biotechnological protein modification. This enzyme binds to a short signal sequence at the C terminus of a target protein, cleaves it by formation of an acyl‐enzyme intermediate, and subsequently attaches an oligoglycine with a peptide bond. In this work, we explored its usability for the modification of the L19 Fab fragment (specific for fibronectin ED‐B), a promising candidate for antibody‐based cancer therapy. The Fab fragment was expressed with a sortase signal sequence attached to its light chain, and was successfully modified with a fluorescent oligoglycine probe in good yield. Our interest focused on performance under conditions of limited oligoglycine concentrations. Two unproductive side reactions of sortase were observed. The first was hydrolysis of the acyl‐enzyme intermediate; in the second, sortase accepted the ε‐amino group of lysine as substrate, thereby resulting in polypeptide crosslinking. In case of the L19 Fab fragment, it led to the covalent connection of the heavy and light chains. Both side reactions were effectively suppressed by sufficient concentrations of the oligoglycine probe.
Left main coronary artery stenting after cardiac arrest in an infant with William's syndrome
Authors: Upadhyay Shailendra , Seiden Howard , Epstein Shilpi 
Published: June 2011

AbstractA 6‐month‐old female with William's syndrome and biventricular outflow obstruction had a cardiac arrest due to myocardial ischemia soon after induction of anesthesia during cardiac catheterization. The patient was supported with extra corporeal membrane oxygenator (ECMO) and successful stenting of the left main coronary artery was performed as a rescue measure. This intervention allowed successful weaning from ECMO and subsequent discharge from the hospital. Coronary intervention in infants may be successfully performed in dire situations. © 2011 Wiley Periodicals, Inc.
Single‐Droplet Experimentation on Spray Drying: Evaporation of a Sessile Droplet
Authors: Perdana J. , Fox M. B. , Schutyser M. A. I. , Boom R. M. 
Published: June 2011

AbstractThe basis for the development of a platform for high‐throughput experimentation on spray drying is formed. To mimic the drying of single droplets during spray drying, individual droplets are dispensed and dried on a flat surface. A dispensing process is used that is able to dispense viscous liquids and generates small droplets (dp > 150 μm). The dispensed droplet size for varying liquids could be accurately described with a predictive model based on Bernoulli's law. The drying of droplets is monitored with a camera and modeled with mass balance equations. Finally, a Sherwood correlation is derived to describe the mass transfer between the sessile droplet and the drying air.
A Core‐Shell Strategy for Constructing a Single‐Molecule Junction
Authors: Wang Le‐Jia , Zhou Kai‐Ge , Tan Lin , Wang Hong , Shi Zi‐Fa , Wu Guo‐Ping , Xu Zhu‐Guo , Cao Xiao‐Ping , He Hui‐Xin , Zhang Hao‐Li 
Published: June 2011

AbstractUnderstanding the effects of intermolecular interactions on the charge‐transport properties of metal/molecule/metal junctions is an important step towards using individual molecules as building blocks for electronic devices. This work reports a systematic electron‐transport investigation on a series of “core‐shell”‐structured oligo(phenylene ethynylene) (Gn‐OPE) molecular wires. By using dendrimers of different generations as insulating “shells”, the intermolecular π–π interactions between the OPE “cores” can be precisely controlled in single‐component monolayers. Three techniques are used to evaluate the electron‐transport properties of the Au/Gn‐OPE/Au molecular junctions, including crossed‐wire junction, scanning tunneling spectroscopy (STS), and scanning tunneling microscope (STM) break‐junction techniques. The STM break‐junction measurement reveals that the electron‐transport pathways are strongly affected by the size of the side groups. When the side groups are small, electron transport could occur through three pathways, including through single‐molecule junctions, double‐molecule junctions, and molecular bridges between adjacent molecules formed by aromatic π–π coupling. The dendrimer shells effectively prohibit the π–π coupling effect, but at the same time, very large dendrimer side groups may hinder the formation of AuS bonds. A first‐generation dendrimer acts as an optimal shell that only allows electron transport through the single‐molecule junction pathway, and forbids the other undesired pathways. It is demonstrated that the dendrimer‐based core‐shell strategy allows the single‐molecule conductance to be probed in a homogenous monolayer without the influence of intermolecular π–π interactions.
Packed to the Rafters: Filling up C60 with Rare Gas Atoms
Authors: Tonner Ralf , Frenking Gernot , Lein Matthias , Schwerdtfeger Peter 
Published: June 2011

AbstractHow many rare gas atoms can be placed into a fullerene cage until the pressure becomes large enough to break the C60 framework? The answer given by density functional and ab initio computations is surprising and underlines the high stability of this unique carbon structure.
A new semimagnetic compound: Cd1‐xFexIn2S4 single crystal grown by CVT
Authors: Attolini G. , Frigeri C. , Sagredo V. , Solzi M. , Delgado G. 
Published: June 2011

AbstractSingle crystals of the Cd1‐xFexIn2S4 compounds were grown by the chemical vapour transport method using iodine as transport agent. The crystals were grown by placing the ampoule in a two zone furnace, keeping the source temperature and the deposition temperature at 850 and 800 °C respectively. The resulting crystals with nominal concentrations: x = 0.25, 0.5, 0.75 were characterized by X‐ray powder diffraction, electron probe micro‐analysis and magnetic measurements. Electron probe micro‐analysis showed that the actual concentration of Fe was lower than the nominal one. X‐ray diffractograms were taken at room temperature for each sample, revealing that the compounds form a solid solution in the whole range of compositions and crystallize with cubic symmetry in the space group Fd3m. All samples show a spinel structure with a random arrangement of cations. The magnetic behavior of the samples was investigated by low‐field magnetization measurements in the range 5‐300 K. The observed magnetic behavior does not show any magnetic transition in the studied temperature range. However an irreversibility has been observed between zero‐field‐cooled (ZFC) and field‐cooled (FC) cycles. High temperature susceptibility data follow the Curie‐Weiss law with a negative paramagnetic Curie temperature, indicating the predominance of antiferromagnetic interactions. The optical absorption data for sample with x = 0.75 shows a direct energy gap of 1.28 eV at RT. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Model of the transformation of several basis structures into intermetallic crystal structure types
Authors: Ruhnow M. 
Published: June 2011

AbstractA model is presented that states that all intermetallic crystal structure types can be hypothetically derived from few basis structures. These hypothetical basis structures consist of different atomic layer stackings and conform to the principles of simplicity and high symmetry. The transition from the basis structure to the real structure takes place by the replacement of formerly occupied atomic sites by interstices followed by a lateral relaxation of the remaining atoms. This leads to, in most cases, a lowering of symmetry and packing density, as well as an alteration of stoichiometry. The requirement of the transition to the known real structure depends on the individual “nature” of the atoms of the different elements in the compound. The connection between basis structures and crystalline non‐equilibrium phases is highlighted. Non‐equilibrium phases, a topic of modern research, can be regarded as “frozen‐in” basis structures. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preparation and structure of calcium peroxide‐templated porous calcium carbonate crystals
Authors: Zhang Xiaohui , Yan Fengwen , Guo Cunyue , Li Fengbo , Chen Guochang , Huang Zhijun , Yuan Guoqing 
Published: June 2011

AbstractCrystalline calcium carbonate with randomly dispersed porous structure was prepared through co‐ crystallization with calcium peroxide and the following template elimination by a post heating treatment and washing with water. The artificial CaCO3 possess abundant macro‐mesopores structures and high surface area. This approach may open a new general route for the preparation of crystals with high porosity and structure specialty. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Hydrogenation of p‐Chloronitrobenzene over Nanostructured‐Carbon‐Supported Ruthenium Catalysts
Authors: Oubenali Mustapha , Vanucci Giuditta , Machado Bruno , Kacimi Mohammed , Ziyad Mahfoud , Faria Joaquim , Raspolli‐Galetti Anna , Serp Philippe 
Published: June 2011

AbstractCarbon nanotubes (CNTs) and carbon nanofibers (CNFs) have been used for the first time to support ruthenium nanoparticles for the hydrogenation of p‐chloronitrobenzene (p‐CNB) to produce selectively p‐chloroaniline. The preparation of well‐dispersed ruthenium catalysts from the [Ru3(CO)12] precursor required activation of the purified supports by nitric acid oxidation. The supports, purified and functionalized, and the supported catalysts have been characterized by a range of techniques. The catalytic activity of these materials for the hydrogenation of p‐CNB at 35 bar and 60 °C is shown to reach as high as 18 molp‐CNB gRu−1 h−1, which is one order of magnitude higher than a commercial Ru/Al2O3 catalyst. Selectivities between 92 and 94 % are systematically obtained, the major byproduct being aniline.
Improvement of accuracy in quantification of 3‐monochloropropane‐1,2‐diol esters by Deutsche Gesellschaft für Fettwissenschaft standard methods C‐III 18
Authors: Kaze Naoki , Sato Hirofumi , Yamamoto Hiroshi , Watanabe Yomi 
Published: June 2011

AbstractBy Deutsche Gesellschaft für Fettwissenschaft (DGF) standard methods C‐III 18 for the determination of 3‐monochloropropane‐1,2‐diol (3‐MCPD), the minimum limit of detection was lower in the case of actual oil samples compared to the calibration samples. The problem was found to be lied in the low recovery of 3‐MCPD derivatives from the aqueous phase to the organic phase at the extraction step of the standard procedure. The substitution of the conventional solvent, n‐hexane, with n‐butanol, chloroform, and ethyl acetate increased the recovery to the relative extent of 5.6, 4.7, and 3.9, respectively. The modification contributed to improve the accuracy of the method, especially at lower concentration (<1 ppm) of 3‐MCPD.Practical applications: This paper provides the modification of DGF standard methods C‐III 18 in order to improve the accuracy to quantify 3‐MCPD at lower concentration. It might be important for estimation and control of our daily intake of 3‐MCPD, and for the product control in the fat and oil processing.
Lowering the boiling point curve of biodiesel by cross‐metathesis
Authors: Montenegro Rowena E. , Meier Michael A. R. 
Published: June 2011

AbstractOne of the challenges of today's biodiesel (FAME) is its unsuitable boiling curve behavior. A more or less continuously increasing curve is beneficial because it provides good fuel ignition and combustion in the cylinder of the engine. Here, we present the results of our investigation on the chemical modification of biodiesel with the use of a well‐known catalytic reaction, olefin metathesis. Self‐ and cross‐metathesis of biodiesel and 1‐hexene were carried out. Ten different ruthenium‐based metathesis catalysts were initially subjected to a screening. After selection of the most active catalyst, a series of reactions were prepared wherein the concentration of the biodiesel was held constant, while the amount of 1‐hexene was varied. The samples were then analyzed by simulated distillation to determine their boiling curve range. Results revealed that as the hexene amount was increased, a more favorable distillation curve was observed since it generated a fairly good distribution of low to high molecular weight compounds, which in turn exhibited an almost steadily increasing distillation curve, more similar to that of a conventional diesel fuel.