bluuebunny/crossref_metadata_2025_split huggingface dataset:
Raman spectroscopy of hydrogen‐arsenate group (AsO3OH) in solid‐state compounds: copper mineral phase geminite Cu(AsO3OH)·H2O from different geological environments
Authors: Sejkora Jiří , Čejka Jiří , Frost Ray L. , Bahfenne Silmarilly , Plášil Jakub , Keeffe Eloise C. 
Published: November 2009

AbstractThe participation of hydrogen‐arsenate group (AsO3OH)2− in solid‐state compounds may serve as a model example for explaining and clarifying the behaviour of As and other elements during weathering processes in natural environment. The mineral geminite, a hydrated hydrogen‐arsenate mineral of ideal formula Cu(AsO3OH)·H2O, has been studied by Raman and infrared spectroscopies. Two samples of geminite of different origin were investigated and the spectra proved quite similar. In the Raman spectra of geminite, six bands are observed at 741, 812, 836, 851, 859 and 885 cm−1 (Salsigne, France), and 743, 813, 843, 853, 871 and 885 cm−1 (Jáchymov, Czech Republic). The band at 851/853 cm−1 is assigned to the ν1 (AsO3OH)2− symmetric stretching mode; the other bands are assigned to the ν3 (AsO3OH)2− split triply degenerate antisymmetric stretching mode. Raman bands at 309, 333, 345 and 364/310, 333 and 345 cm−1 are attributed to the ν2 (AsO3OH)2− bending mode, and a set of higher wavenumber bands (in the range 400–500 cm−1) is assigned to the ν4 (AsO3OH)2− split triply degenerate bending mode. A very complex set of overlapping bands is observed in both the Raman and infrared spectra. Raman bands are observed at 2289, 2433, 2737, 2855, 3235, 3377, 3449 and 3521/2288, 2438, 2814, 3152, 3314, 3448 and 3521 cm−1. Two Raman bands at 2289 and 2433/2288 and 2438 cm−1 are ascribed to the strong hydrogen bonded water molecules. The Raman bands at 3235, 3305 and 3377/3152 and 3314 cm−1 may be assigned to the ν OH stretching vibrations of water molecules. Two bands at 3449 and 3521/3448 and 3521 cm−1 are assigned to the OH stretching vibrations of the (AsO3OH)2− units. The lengths of the OH···O hydrogen bonds vary in the range 2.60–2.94 Å (Raman) and 2.61–3.07 Å (infrared). Two Raman and infrared bands in the region of the bending vibrations of the water molecules prove that structurally non‐equivalent water molecules are present in the crystal structure of geminite. Copyright © 2009 John Wiley & Sons, Ltd.
Kinetic and Morphological Investigation on the Magnesium Ethoxide‐Based Ziegler‐Natta Catalyst for Propylene Polymerization Using Typical External Donors
Authors: Dashti Ali , Ramazani S.A. Ahmad , Hiraoka Yuichi , Kim Sang Yull , Taniike Toshiaki , Terano Minoru 
Published: November 2009

AbstractKinetic and morphological aspects of slurry propylene polymerization using a MgCl2‐supported Ziegler‐Natta catalyst synthesized from a Mg(OEt)2 precursor in the presence and absence of two different external donors are investigated. The kinetic profiles show similar trend in presence and absence of donors. The Mg(OEt)2‐based catalyst show a mild activation and a long‐standing activity with good replication of the catalyst particles. The results show that synthesized Mg(OEt)2‐based Ziegler‐Natta catalyst presents a highly stable polymerization activity and good replication due to the uniform Ti distribution all over the catalyst particles.
Gas‐Phase Polymerization with Transition Metal Catalysts Supported on Montmorillonite – A Particle Morphological Study
Authors: Shin Sang‐Young A. , Simon Leonardo C. , Soares João B. P. , Scholz Günter , McKenna Timothy F. L. 
Published: November 2009

AbstractThis investigation focuses on the mechanism of particle fragmentation and growth when clay‐supported metallocene catalysts are used to polymerize ethylene in gas‐phase reactors. We supported bis(cyclopentadienyl)‐zirconium dichloride (Cp2ZrCl2) on montmorillonite (MMT) pretreated with triisobutylaluminum and 10‐undecence‐1‐ol to produce in‐situ polyethylene‐clay nanocomposites. During gas phase polymerization, the MMT layers were exfoliated by the growing polymer chains, starting from the openings of the clay galleries. After microtoming, the cross‐section of the fragmented MMT particles showed bundles of distorted silicate layer stacks, proving that exfoliation took place during polymerization, producing an in‐situ polyethylene‐clay nanocomposite. Calculations of d‐spacing by transmission electron microscopy (TEM) matched those measured by X‐ray diffraction (XRD) analysis.
External Donor Induced Direct Contact Effects on Mg(OC2H5)2‐Based Ziegler‐Natta Catalysts for Propylene Polymerization
Authors: Kim Sang Yull , Hiraoka Yuichi , Taniike Toshiaki , Terano Minoru 
Published: November 2009

AbstractEffects of external donor induced direct contact without alkylaluminum were studied for Ziegler‐Natta catalysts containing monoester and diester as internal donors on the catalytic performances such as activity and stereoselectivity. Traditional slurry polymerizations were carried out for rather short period after direct contact for a variety of time. GC analysis was also performed to observe replacement phenomena of donors during direct contact. It was postulated that the different performances of the catalysts were greatly affected by the pair of internal and external donors.
Structural determination of abutilins A and B, new flavonoids from Abutilon pakistanicum, by 1D and 2D NMR spectroscopy
Authors: Ali Bakhat , Imran Muhammad , Hussain Riaz , Ahmed Zaheer , Malik Abdul 
Published: November 2009

AbstractTwo new flavonoids, abutilin A and B, were isolated from the chloroform soluble fraction of Abutilon pakistanicum and their structures assigned from 1H and 13C NMR spectra, DEPT and by 2D COSY, HMQC and HMBC experiments. Ferulic acid (3), (E)‐cinnamic acid (4), 5‐hydroxy‐4′,6,7,8‐tetramethoxyflavone (5), kaempferol (6), luteolin (7) and luteolin 7‐O‐β‐D‐glucopyranoside (8) have also been reported from this species. Copyright © 2009 John Wiley & Sons, Ltd.
Numerical integration of an elastic–viscoplastic constitutive model for dry metamorphosed snow
Authors: Cresseri Silene , Genna Francesco , Jommi Cristina 
Published: November 2009

AbstractA constitutive model for dry metamorphosed snow is proposed, within the framework of elasto‐viscoplasticity, which is able to reproduce the most relevant features of the macroscopic behaviour of snow, particularly its time and rate dependency. The basic ideas for modelling stem from the conceptual forms proposed for bonded geomaterials, such as cemented soils or soft rocks. The high viscosity of snow is accounted for by adopting an overstress approach, suitably modified. An evolution law for the curvature‐driven process of sintering, by which intergranular ice necks form and grow, is established. The system of constitutive equations is then numerically integrated via a fully implicit time stepping scheme. Selected results from finite element simulations of laboratory tests, available in the literature, are presented. Copyright © 2009 John Wiley & Sons, Ltd.
On problems of differential diagnosis in palaeopathology, as illustrated by a case from prehistoric Indiana
Authors: Brothwell D. 
Published: November 2009

AbstractBecause palaeopathology has to call on a limited range of evidence, compared with modern clinical diagnosis, it is important that a differential diagnosis should be broad‐based. A prehistoric case from Indiana is discussed in relation to this statement. Copyright © 2009 John Wiley & Sons, Ltd.
Horse radish peroxidase immobilized polyaniline for hydrogen peroxide sensor
Authors: Solanki Pratima R. , Kaushik Ajeet , Ansari Anees A. , Sumana G. , Malhotra B. D. 
Published: November 2009

AbstractHorse radish peroxidase (HRP) has been electrochemically entrapped into perchlorate (ClO) doped polyaniline (PANI) film deposited onto indium‐tin‐oxide (ITO) coated glass plate. This HRP‐PANI‐ClO/ITO bioelectrode characterized using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), UV‐Visible spectroscopy, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) techniques has been utilized for estimation of hydrogen peroxide (H2O2). This H2O2 sensor exhibits response time of 5 s, linearity from 3 to 136 mM, sensitivity as 0.5638 µA mM−1 cm−2 with linear regression of 0.985. The value of the Michaelis–Menten constant (Km) has been obtained as 1.984 mM. Copyright © 2009 John Wiley & Sons, Ltd.
Introduction to the special issue: Using prevention science to address mental health issues in schools
Authors: Stormont Melissa , Reinke Wendy M. , Herman Keith C. 
Published: November 2009

AbstractThis article provides a definition and history of prevention science, presents the contemporary definition of prevention, and outlines the prevention science research cycle. The work of scholars who have developed innovative methods and practices and/or who are leaders in their dissemination were invited in this special issue to discuss their work in relation to the prevention science framework. This introduction to the special issue, Using Prevention Science to Address the Mental Health Issues in Schools, highlights the need for prevention‐minded research in schools. © 2009 Wiley Periodicals, Inc.
Identification and characterization of novel ERC‐55 interacting proteins: Evidence for the existence of several ERC‐55 splicing variants; including the cytosolic ERC‐55‐C
Authors: Ludvigsen Maja , Jacobsen Christian , Maunsbach Arvid B. , Honoré Bent 
Published: November 2009

AbstractERC‐55, encoded fromRCN2, is localized in the ER and belongs to the CREC protein family. ERC‐55 is involved in various diseases and abnormal cell behavior, however, the function is not well defined and it has controversially been reported to interact with a cytosolic protein, the vitamin D receptor. We have used a number of proteomic techniques to further our functional understanding of ERC‐55. By affinity purification, we observed interaction with a large variety of proteins, including those secreted and localized outside of the secretory pathway, in the cytosol and also in various organelles. We confirm the existence of several ERC‐55 splicing variants including ERC‐55‐C localized in the cytosol in association with the cytoskeleton. Localization was verified by immunoelectron microscopy and sub‐cellular fractionation. Interaction of lactoferrin, S100P, calcyclin (S100A6), peroxiredoxin‐6, kininogen and lysozyme with ERC‐55 was further studiedin vitroby SPR experiments. Interaction of S100P requires [Ca2+] of ∼10−7 M or greater, while calcyclin interaction requires [Ca2+] of >10−5 M. Interaction with peroxiredoxin‐6 is independent of Ca2+. Co‐localization of lactoferrin, S100P and calcyclin with ERC‐55 in the perinuclear area was analyzed by fluorescence confocal microscopy. The functional variety of the interacting proteins indicates a broad spectrum of ERC‐55 activities such as immunity, redox homeostasis, cell cycle regulation and coagulation.
Laser‐Induced Deflagration of Unconfined HMX – The Effect of Energetic Binders
Authors: Ahmad Sheikh Rafi , Russell David Anthony , Golding Peter 
Published: November 2009

AbstractThe effect of three energetic binders [poly(3‐methyl‐3‐nitratomethyloxetane (polyNIMMO), polyglycidyl nitrate (polyGLYN) and an energetic polyphosphazene (PPZ‐E) – all at 10%] on the unconfined laser‐induced deflagration of cyclotetramethylene tetranitramine, commonly known as High Melting point Explosive (HMX) by a near IR (NIR) diode laser (801 nm) has been examined. Hydroxyl terminated polybutadiene (HTPB) and PPZ (the precursor to PPZ‐E – before nitration) were used as reference materials. The formulations required the addition of an optical sensitizer – carbon black (CB) – for ignition. At the designated threshold flux density of 2.3 kW cm−2, a minimum of ∼1 wt.‐% CB was needed for the reliable ignition of unbound HMX and its formulations with polyGLYN, PPZ‐E and PPZ. Under similar conditions HMX/polyNIMMO and HMX/HTPB required 3% CB. Ignition maps (ignition time versus laser flux density) have been constructed for the five formulations. Comparison of ignition times and ignition energy densities for HMX and HMX/polyGLYN showed this binder to have only a marginal effect. In contrast, HTPB, PPZ and PPZ‐E all retarded HMX ignition at the threshold flux density, but showed negligible effect at higher flux densities. As PPZ and PPZ‐E produced both similar delays in the ignition time and similar increases in the flame development times (10–90%) at the threshold flux density, the inhibition of the HMX ignition by these PPZs appears to be largely independent of the polymer energy content. Such characteristics could be useful for high performance and insensitive energetic formulations. PolyNIMMO (3% CB) increased the ignition time of HMX only slightly at 2.3 kW cm−2. However, at this threshold flux level the HMX flame development times with polyNIMMO or HTPB were much longer than that for the unbound material; this effect is attributed to the enhanced CB content.
A galaxy of folds
Authors: Alva Vikram , Remmert Michael , Biegert Andreas , Lupas Andrei N. , Söding Johannes 
Published: November 2009

AbstractMany protein classification systems capture homologous relationships by grouping domains into families and superfamilies on the basis of sequence similarity. Superfamilies with similar 3D structures are further grouped into folds. In the absence of discernable sequence similarity, these structural similarities were long thought to have originated independently, by convergent evolution. However, the growth of databases and advances in sequence comparison methods have led to the discovery of many distant evolutionary relationships that transcend the boundaries of superfamilies and folds. To investigate the contributions of convergent versus divergent evolution in the origin of protein folds, we clustered representative domains of known structure by their sequence similarity, treating them as point masses in a virtual 2D space which attract or repel each other depending on their pairwise sequence similarities. As expected, families in the same superfamily form tight clusters. But often, superfamilies of the same fold are linked with each other, suggesting that the entire fold evolved from an ancient prototype. Strikingly, some links connect superfamilies with different folds. They arise from modular peptide fragments of between 20 and 40 residues that co‐occur in the connected folds in disparate structural contexts. These may be descendants of an ancestral pool of peptide modules that evolved as cofactors in the RNA world and from which the first folded proteins arose by amplification and recombination. Our galaxy of folds summarizes, in a single image, most known and many yet undescribed homologous relationships between protein superfamilies, providing new insights into the evolution of protein domains.
An assessment of a Greenland lee cyclone during the Greenland Flow Distortion experiment: An observational approach
Authors: Mc Innes Harold , Kristjánsson Jón Egill , Schyberg Harald , Røsting Bjørn 
Published: November 2009

AbstractOn 3 March 2007 between 0920 and 1545 UTC, the mesoscale structure of a mature lee cyclone southeast of Greenland was successfully captured during a flight with a research aircraft during the Greenland Flow Distortion experiment (GFDex). The cyclone was accompanied by hazardous weather conditions such as extensive icing and low‐level wind speeds exceeding 34 m s−1. Calculations based on atmospheric soundings from Egedesminde on the west coast of Greenland indicate that conditions were favourable for flow splitting and hence cyclogenesis in the lee of Greenland during the formation of the cyclone. PV inversion carried out on an upper‐level southward‐moving potential vorticity (PV) anomaly indicates that upper‐level forcing as well as orographic forcing had an important role in the cyclone development. The frontal seclusion of the cyclone's warm core was consistent with both the Norwegian cyclone model and Shapiro and Keyser's model. However, it was not possible to match this cyclone precisely with any of these models, which is probably a consequence of the strong influence from Greenland on the cyclone development. In situ measurements showing a combination of warm dry air with relatively high ozone concentrations in the centre of the cyclone together with trajectory calculations indicate that this air had experienced considerable descent, probably induced by Greenland's orography. The observations documented the cyclone's mesoscale structure, and clearly revealed a deep tropopause fold. This tropopause fold is a manifestation of the forcing on the cyclone from the upper‐level PV anomaly. Copyright © 2009 Royal Meteorological Society
Sterilization Matters: Consequences of Different Sterilization Techniques on Gold Nanoparticles
Authors: França Ángela , Pelaz Beatriz , Moros María , Sánchez‐Espinel Christian , Hernández Andrea , Fernández‐López Cristina , Grazú Valeria , de la Fuente Jesús M. , Pastoriza‐Santos Isabel , Liz‐Marzán Luis M. , González‐Fernández África 
Published: November 2009

AbstractNanoparticles (NPs) can offer many advantages over traditional drug design and delivery, as well as toward medical diagnostics. As with any medical device or pharmaceutical drug intended to be used for in vivo biomedical applications, NPs must be sterile. However, very little is known regarding the effect of sterilization methods on the intrinsic properties and stability of NPs. Herein a detailed analysis of physicochemical properties of two types of AuNPs upon sterilization by means of five different techniques is reported. In addition, cell viability and production of reactive oxygen species are studied. The results indicate that sterilization by ethylene oxide seems to be the most appropriate technique for both types of NPs. It is concluded that it is crucial to test several methods in order to establish the specific type of sterilization to be performed for each particular NP.
The application of flux balance analysis in systems biology
Authors: Gianchandani Erwin P. , Chavali Arvind K. , Papin Jason A. 
Published: November 2009

AbstractAn increasing number of genome‐scale reconstructions of intracellular biochemical networks are being generated. Coupled with these stoichiometric models, several systems‐based approaches for probing these reconstructions in silico have been developed. One such approach, called flux balance analysis (FBA), has been effective at predicting systemic phenotypes in the form of fluxes through a reaction network. FBA employs a linear programming (LP) strategy to generate a flux distribution that is optimized toward a particular ‘objective,’ subject to a set of underlying physicochemical and thermodynamic constraints. Although classical FBA assumes steady‐state conditions, several extensions have been proposed in recent years to constrain the allowable flux distributions and enable characterization of dynamic profiles even with minimal kinetic information. Furthermore, FBA coupled with techniques for measuring fluxes in vivo has facilitated integration of computational and experimental approaches, and is allowing pursuit of rational hypothesis‐driven research. Ultimately, as we will describe in this review, studying intracellular reaction fluxes allows us to understand network structure and function and has broad applications ranging from metabolic engineering to drug discovery. Copyright © 2009 John Wiley & Sons, Inc.This article is categorized under:

Analytical and Computational Methods > Computational Methods
One hundred seven consecutive surgical resections for hilar cholangiocarcinoma of Bismuth types II, III, IV between 2001 and 2008
Authors: Miyazaki Masaru , Kimura Fumio , Shimizu Hiroaki , Yoshidome Hiroyuki , Otuka Masayuki , Kato Atushi , Yoshitomi Hideyuki , Furukawa Katsunori , Takeuchi Dan , Takayashiki Tsukasa , Suda Kousuke , Takano Shigetugu 
Published: November 2009

AbstractMany authors at high‐volume centers all over the world have reported improved outcomes of hilar cholangiocarcinoma by several aggressive surgical approaches such as extended hepatic resection, combined vascular resection, and hepatopancreaticoduodenectomy in recent years. There has been great progress in the surgical treatment of hilar cholangiocarcinoma with these previous efforts by aggressive hepatobiliary surgeons. In particular, surgical techniques, diagnostic modalities, and perioperative management have been remarkably improved as compared with before. Herein we report the surgical outcome for both hilar cholangiocarcinoma of Bismuth types II, III, and IV and intrahepatic cholangiocarcinoma involving the hepatic duct confluence during the recent 8‐year period between 2001 and 2008 at our institution, the Department of General Surgery at Chiba University. From our recent experienced results, it can be concluded that the surgical strategy for hilar cholangiocarcinoma has been improved remarkably, and major surgical hepatectomy can be done with relative safety, and these aggressive surgical approaches, including combined vascular resection, may be warranted for the surgical treatment of hilar cholangiocarcinoma. However, the adoption of new innovative therapeutic approaches might be required for further improvement of surgical outcome of hilar cholangiocarcinoma.
Infant head growth in male siblings of children with and without autism spectrum disorders
Authors: Constantino John N. , Majmudar Palak , Bottini Alex , Arvin Molly , Virkud Yamini , Simons Paul , Spitznagel Edward L. 
Published: November 2009

Abstract
Previous research has indicated that children with autism exhibit accelerated head growth (HG) in infancy, although the timing of acceleration varies between studies. We examined infant HG trajectory as a candidate autism endophenotype by studying sibling pairs. We retrospectively obtained serial head orbitofrontal circumference measurements of: a) 48 sibling pairs in which one (n = 28) or both (n = 20) sibs were affected by an autism spectrum disorder (ASD); and b) 85 control male sibling pairs. Rate of HG of ASD subjects was slightly accelerated compared to controls, but the magnitude of difference was below the limit of reliability of standard measurement methods. Sibling intra class correlation for rate of HG was highly statistically significant; the magnitude was significantly stronger among autism-affected families (ICC = .63) than among controls (ICC = .26), p < .01. Infant HG trajectory appears familial—possibly endophenotypic—but was not a reliable marker of autism risk among siblings of ASD probands in this sample.
Contingency relationships of firm size, TQM duration, unionization, and industry context on TQM implementation—A focus on total effects
Authors: Jayaram Jayanth , Ahire Sanjay L. , Dreyfus Paul 
Published: November 2009

AbstractPast TQM literature has been inconclusive in resolving the validity of the universalistic approach versus the contingency approach of TQM implementation. In this paper we contribute to the resolution of this debate by using a total effects approach within the contingency perspective. We propose a culture‐quality system design‐outcomes framework for TQM implementation. We then use this framework to study the differences in total effects relationships among TQM constructs across four contingencies, firm size, TQM duration, unionization, and industry type. Data from a sample of 394 plants (SIC codes 20 through 39) are used to test the validity of our contingency model. Our results revealed that firm size, TQM duration, and industry type moderate the influence of total effects of culture (top management commitment, customer focus, and trust) on final outcomes (process quality, product quality, and customer satisfaction). These contingencies also moderate the influence of total effects of quality system design (design management, training, empowerment, quality information usage, supplier quality management, and process quality management) on final outcomes. The strongest contributor to variation in total effects across groups was industry type, followed by size and then TQM duration. To a lesser extent, unionization was a moderator in total effects relationships. These findings uniquely contribute to the emerging contingency theory of TQM implementation.