bluuebunny/crossref_metadata_2025_split huggingface dataset:
An immersed finite element method with integral equation correction
Authors: Rüberg Thomas , Cirak Fehmi 
Published: December 2010

AbstractWe propose a robust immersed finite element method in which an integral equation formulation is used to enforce essential boundary conditions. The solution of a boundary value problem is expressed as the superposition of a finite element solution and an integral equation solution. For computing the finite element solution, the physical domain is embedded into a slightly larger Cartesian (box‐shaped) domain and is discretized using a block‐structured mesh. The defect in the essential boundary conditions, which occurs along the physical domain boundaries, is subsequently corrected with an integral equation method. In order to facilitate the mapping between the finite element and integral equation solutions, the physical domain boundary is represented with a signed distance function on the block‐structured mesh. As a result, only a boundary mesh of the physical domain is necessary and no domain mesh needs to be generated, except for the non‐boundary‐conforming block‐structured mesh. The overall approach is first presented for the Poisson equation and then generalized to incompressible viscous flow equations. As an example of fluid–structure coupling, the settling of a heavy rigid particle in a closed tank is considered. Copyright © 2010 John Wiley & Sons, Ltd.
Highly efficient optimization mesh movement method based on proper orthogonal decomposition
Authors: Bogaers A. E. J. , Kok S. , Malan A. G. 
Published: December 2010

AbstractIn this paper, we implement the method of proper orthogonal decomposition (POD) to generate a reduced order model (ROM) of an optimization‐based mesh movement scheme. In this study it is shown that POD can be used effectively to generate an ROM, that accurately reproduces the full order mesh movement algorithm, with a decrease in computational time of over 99%. We further introduce a novel training procedure whereby the POD models are generated in a fully automated fashion. The technology is applicable to any mesh movement method and enables potential reductions of up to four orders of magnitude in mesh movement related costs. The proposed model can be implemented without having to pre‐train the POD model, to any fluid–structure interaction code with an existing mesh movement scheme. Copyright © 2010 John Wiley & Sons, Ltd.
Nonprofit management practices and work processes to promote gender diversity
Authors: Mastracci Sharon H. , Herring Cedric 
Published: December 2010

AbstractNonprofit organizations have long provided an important space for women to establish roles in public life. Using establishment‐level data on for‐profit and nonprofit organizations, we show that the proportions of women in full‐time and mission‐critical positions are higher in nonprofits. In contrast, for‐profit businesses have more women in part‐time jobs and in jobs that are peripheral to the organizational purpose. We also demonstrate that the greater proportions of women in full‐time and mission‐critical positions in nonprofits are due to the use of inclusive work processes and transparent human resource management practices. Our findings provide evidence to pursue the aspects of nonprofit organizations that expand opportunities for working women.
The reliability of diagnostic coding and laboratory data to identify tuberculosis and nontuberculous mycobacterial disease among rheumatoid arthritis patients using anti‐tumor necrosis factor therapy
Authors: Winthrop Kevin L. , Baxter Roger , Liu Liyan , McFarland Bentson , Austin Donald , Varley Cara , Radcliffe LeAnn , Suhler Eric , Choi Dongsoek , Herrinton Lisa J. 
Published: December 2010

AbstractPurposeAnti‐tumor necrosis factor‐alpha (anti‐TNF) therapies are associated with severe mycobacterial infections in rheumatoid arthritis patients. We developed and validated electronic record search algorithms for these serious infections.MethodsThe study used electronic clinical, microbiologic, and pharmacy records from Kaiser Permanente Northern California (KPNC) and the Portland Veterans Affairs Medical Center (PVAMC). We identified suspect tuberculosis and nontuberculous mycobacteria (NTM) cases using inpatient and outpatient diagnostic codes, culture results, and anti‐tuberculous medication dispensing. We manually reviewed records to validate our case‐finding algorithms.ResultsWe identified 64 tuberculosis and 367 NTM potential cases, respectively. For tuberculosis, diagnostic code positive predictive value (PPV) was 54% at KPNC and 9% at PVAMC. Adding medication dispensings improved these to 87% and 46%, respectively. Positive tuberculosis cultures had a PPV of 100% with sensitivities of 79% (KPNC) and 55% (PVAMC). For NTM, the PPV of diagnostic codes was 91% (KPNC) and 76% (PVAMC). At KPNC, ≥ 1 positive NTM culture was sensitive (100%) and specific (PPV, 74%) if non‐pathogenic species were excluded; at PVAMC, ≥1 positive NTM culture identified 76% of cases with PPV of 41%. Application of the American Thoracic Society NTM microbiology criteria yielded the highest PPV (100% KPNC, 78% PVAMC).ConclusionsThe sensitivity and predictive value of electronic microbiologic data for tuberculosis and NTM infections is generally high, but varies with different facilities or models of care. Unlike NTM, tuberculosis diagnostic codes have poor PPV, and in the absence of laboratory data, should be combined with anti‐tuberculous therapy dispensings for pharmacoepidemiologic research. Copyright © 2010 John Wiley & Sons, Ltd.
Resurrection of a clinical antibody: Template proteogenomic de novo proteomic sequencing and reverse engineering of an anti‐lymphotoxin‐α antibody
Authors: Castellana Natalie E. , McCutcheon Krista , Pham Victoria C. , Harden Kristin , Nguyen Allen , Young Judy , Adams Camellia , Schroeder Kurt , Arnott David , Bafna Vineet , Grogan Jane L. , Lill Jennie R. 
Published: December 2010

AbstractA mouse hybridoma antibody directed against a member of the tumour necrosis factor (TNF)‐superfamily, lymphotoxin‐alpha (LT‐α), was isolated from stored mouse ascites and purified to homogeneity. After more than a decade of storage the genetic material was not available for cloning; however, biochemical assays with the ascites showed this antibody against LT‐α (LT‐3F12) to be a preclinical candidate for the treatment of several inflammatory pathologies. We have successfully rescued the LT‐3F12 antibody by performing MS analysis, primary amino acid sequence determination by template proteogenomics, and synthesis of the corresponding recombinant DNA by reverse engineering. The resurrected antibody was expressed, purified and shown to demonstrate the desired specificity and binding properties in a panel of immuno‐biochemical tests. The work described herein demonstrates the powerful combination of high‐throughput informatic proteomic de novo sequencing with reverse engineering to reestablish monoclonal antibody‐expressing cells from archived protein sample, exemplifying the development of novel therapeutics from cryptic protein sources.
Analysis of the human pituitary proteome by data independent label‐free liquid chromatography tandem mass spectrometry
Authors: Krishnamurthy Divya , Levin Yishai , Harris Laura W. , Umrania Yagnesh , Bahn Sabine , Guest Paul C. 
Published: December 2010

AbstractStudies of pituitary‐related disorders would be facilitated by enhanced knowledge of the pituitary proteome. To construct a data set of human pituitary proteins, separate protein extracts were prepared from 15 post‐mortem pituitaries and analyzed by data independent label‐free nanoflow liquid chromatography mass spectrometry (nLC‐MSE). The detected mass/time features were aligned and quantified using the Rosetta Elucidator® system and annotated using results from ProteinLynx Global Server. The resulting data set comprised 1007 unique proteins, with stringent identification by a minimum of two distinct peptides. These proteins consisted predominantly of enzymes, transporters, transcription/translation factors, cell structure and secreted proteins.
Building nanostructures using RAFT polymerization
Authors: Boyer Cyrille , Stenzel Martina H. , Davis Thomas P. 
Published: December 2010

AbstractReversible addition fragmentation chain transfer (RAFT) polymerization is one of the most extensively studied controlled/living radical polymerization methods that has been used to prepare well‐defined nanostructured polymeric materials. This review, with more 650 references illustrates the range of well‐defined functional nanomaterials that can be accessed using RAFT chemistry. The detailed syntheses of macromolecules with predetermined molecular weights, designed molecular weight distributions, controlled topology, composition and functionality are presented. RAFT polymerization has been exploited to prepare complex molecular architectures, such as stars, blocks and gradient copolymers. The self‐assembly of RAFT‐polymer architectures has yielded complex nanomaterials or in combination with other nanostructures has generated hybrid multifunctional nanomaterials, such as polymer‐functionalized nanotubes, graphenes, and inorganic nanoparticles. Finally nanostructured surfaces have been described using the self‐organization of polymer films or by the utilization of polymer brushes. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Grafting of functional nitroxyl free radicals to polyolefins as a tool to postreactor modification of polyethylene‐based materials with control of macromolecular architecture
Authors: Cicogna Francesca , Coiai Serena , Passaglia Elisa , Tucci Irene , Ricci Lucia , Ciardelli Francesco , Batistini Antonio 
Published: December 2010

AbstractNitroxyl radicals were used as functionalizing agents during the free radical postreactor modification process of polyolefins carried out in the melt. The 4‐hydroxy‐2,2,6,6‐tetramethylpiperidine‐1‐oxyl (HO‐TEMPO) and the 4‐benzoyloxy‐2,2,6,6‐tetramethylpiperidine‐1‐oxyl (BzO‐TEMPO) free radicals were successfully grafted onto a polyethylene‐based material (ethylene‐co‐1‐octene copolymer) by coupling reaction with polymer macroradicals; these last were formed by H‐abstraction through peroxide addition. The macromolecular structure of the functionalized polyolefins was assessed by 1H‐NMR, FTIR spectroscopy, and SEC measurements which were used to evidence the grafting site, to evaluate the grafting level and to highlight the occurrence of chain extension through crosslinking side reactions. Indeed the use of proper model compounds allowed the preparation of accurate FTIR calibration curves for the quantitative determination of the functionalization degree. Besides the high temperature SEC analysis highlighted that this fast and simple coupling reaction between macroradicals and nitroxyl free radicals grants the grafting of functionalities onto the polyolefin backbone by contemporarily preventing the side reactions liable of the structure and MW modification of the pristine polymer. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Boron‐functionalized poly(3‐hydroxybutyrate)s from hydroboration of poly(allyl‐β‐hydroxyalkanoate)s: Synthesis and insights into the microstructure
Authors: Guillaume Clémence , Ajellal Noureddine , Carpentier Jean‐François , Guillaume Sophie M. 
Published: December 2010

AbstractThe controlled ring‐opening polymerization of racemic allyl‐β‐butyrolactone (rac‐BLallyl) in toluene or in bulk, catalyzed by the discrete β‐diiminate zinc amido [(BDIiPr)Zn(N(SiMe3)2)] (1) or {amino‐methoxy‐bis(phenolate)}yttrium amido [(ONOOtBu)Y(N(SiHMe2)2)(THF)] (2) complexes, in association with an alcohol, gave poly(β‐hydroxyalkanoate)s (PHAs) with allylic side chains. These PHAsallyl exhibit either a slightly isotactic‐enriched (Pm = 0.61) or highly syndiotactic‐enriched (Pr = 0.82) backbone structure, respectively, with high molar mass (Mn up to 21,100 g mol−1) and narrow molar mass distribution values (1.05 < Mw/Mn < 1.28), as evidenced by detailed 13C NMR and size exclusion chromatography analyses. Postpolymerization rhodium‐catalyzed hydroboration of the resulting PHAsallyl with pinacolborane quantitatively afforded the corresponding PHAsboron. Introduction of boron into the pendant chains did not alter neither the structure of the polymer backbone nor the macromolecular features (Mn, Mw/Mn, and stereoregularity). However, differential scanning calorimetry analyses revealed a significant increase of the glass transition temperature on modifying the allyl for the boron function in these PHAs. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Atom transfer radical polymerization of functional monomers employing Cu‐based catalysts at low concentration: Polymerization of glycidyl methacrylate
Authors: Tsarevsky Nicolay V. , Jakubowski Wojciech 
Published: December 2010

AbstractInitiators for continuous activator regeneration atom transfer radical polymerization (ICAR ATRP) of an epoxide‐containing monomer, glycidyl methacrylate (GMA), was successfully carried out using low concentration of catalyst (ca. 105 ppm) at 60 °C in anisole. The copper complex of tris(2‐pyridylmethyl)amine was used as the catalyst, diethyl 2‐bromo‐2‐methylmalonate as the initiator, and 2,2′‐azobisisobutyronitrile as the reducing agent. When moderate degrees of polymerization were targeted (up to 200), special purification of the monomer, other than removal of the polymerization inhibitor, was not required to achieve good control. To synthesize well‐defined polymers with higher degrees of polymerization (600), it was essential to use very pure monomer, and polymers of molecular weights exceeding 50,000 g mol−1 and Mw/Mn = 1.10 were prepared. The developed procedures were used to chain‐extend bromine‐terminated poly(methyl methacrylate) macroinitiator prepared by activators regenerated by electron transfer (ARGET) ATRP. The SnII‐mediated ARGET ATRP technique was not suitable for the polymerization of GMA and resulted in polymers with multimodal molecular weight distributions. This was due to the occurrence of epoxide ring‐opening reactions, catalyzed by SnII and SnIV. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Reverse mode operation polymer dispersed liquid crystal with a positive dielectric anisotropy liquid crystal
Authors: Cupelli Daniela , Nicoletta Fiore P. , De Filpo Giovanni , Formoso Patrizia , Chidichimo Giuseppe 
Published: December 2010

AbstractThe development of electrically activated chromogenic materials is important for their potential applications in smart windows. Several previous works have reported on reverse mode operation polymer dispersed liquid crystals (PDLCs) based on negative dielectric anisotropy liquid crystals. They have a transparent OFF state, which turns opaque after the application of a suitable external electric field. Nevertheless, these devices have some limitations such as the use of large amount of expensive liquid crystals with peculiar physical‐chemical properties. In addition, a good matching between the refractive index of liquid crystal and the polymer matrix one is required. The main result of this work is the achievement of reverse mode operation devices prepared with a positive dielectric anisotropy liquid crystal and characterized by a high OFF state transmittance obtained by the onset of high intensity built‐in DC electric fields in a direct mode operation PDLC, which allows the OFF state homeotropic alignment of liquid crystal directors. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
Water‐disintegrative and biodegradable blends containing poly(L‐lactic acid) and poly(butylene adipate‐co‐terephthalate)
Authors: Oyama Hideko T. , Tanaka Yoshikazu , Hirai Sakiko , Shida Shigenari , Kadosaka Ayako 
Published: December 2010

AbstractIn this study, novel biodegradable materials were successfully generated, which have excellent mechanical properties in air during usage and storage, but whose structure easily disintegrates when immersed in water. The materials were prepared by melt blending poly(L‐lactic acid) (PLLA) and poly(butylene adipate‐co‐terephthalate) (PBAT) with a small amount of oligomeric poly(aspartic acid‐co‐lactide) (PAL) as a degradation accelerator. The degradation behavior of the blends was investigated by immersing the blend films in phosphate‐buffered saline (pH = 7.3) at 40 °C. It was shown that the PAL content and composition significantly affected morphology, mechanical properties, and hydrolysis rate of the blends. It was observed that the blends containing PAL with higher molar ratios of L‐lactyl [LA]/[Asp] had smaller PBAT domain size, showing better mechanical properties when compared with those containing PAL with lower molar ratios of [LA]/[Asp]. The degradation rates of both PLLA and PBAT components in the ternary blends simultaneously became higher for the blends containing PAL with higher molar ratios of [LA]/[Asp]. It was confirmed that the PLLA component and its decomposed materials efficiently catalyze the hydrolytic degradation of the PBAT component, but by contrast that the PBAT component and its decomposed materials do not catalyze the hydrolytic degradation of the PLLA component in the blends. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2010
The side growth of lithalsas: Some comments on observations in northern québec
Authors: Pissart A. 
Published: December 2010

AbstractBased on observations in northern Québec and Belgium, the author infers that lithalsas in northern Québec are modern analogues of the enclosed and ramparted depressions that occur on the Hautes Fagnes plateau, Belgium. It is hypothesised that the growth of these lithalsas occurs not only by vertical heave associated with ice segregation within mineral material but also by lateral frost thrusting. Copyright © 2010 John Wiley & Sons, Ltd.
Thirty years of solid state physics research at the Institute of Physics, Chinese Academy of Sciences
Authors: Wang Yupeng 
Published: December 2010

AbstractResearch activities in solid‐state physics undertaken in the past 30 years at the Institute of Physics, Chinese Academy of Sciences, are reviewed. Some outstanding research results in those subfields including crystal growth, crystallography, superconductivity, high‐pressure physics, solid‐state lasing, metallic glass, low‐dimensional structure, photonics, topological insulator, and so forth, have been briefly highlighted.
Luminescence and scintillation of Eu2+‐doped high silica glass
Authors: Chewpraditkul W. , Chen D. , Yu B. , Zhang Q. , Shen Y. , Nikl M. , Kucerkova R. , Beitlerova A. , Wanarak C. , Phunpueok A. 
Published: December 2010

AbstractHigh silica glass doped with Eu2+ ions was prepared as a scintillating material by impregnation of Eu ions into a porous silica glass followed by reduction sintering in CO atmosphere. A dominant emission band of the Eu2+ 5d–4f transition peaking around 430 nm was observed in the luminescence spectrum with the excitation peak around 280 nm and no emission from Eu3+ was present. Photoluminescence decay kinetics was governed by decay times of a few microseconds. The Eu2+‐doped high silica glass exhibited comparable energy resolution and slightly higher photoelectron yield with respect to the Bi4Ge3O12 crystal in the pulse height spectra for X‐ray photon energies within 22–60 keV. Furthermore, a factor of 1.2 higher radioluminescence intensity was observed as well. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A guide to the design and analysis of small clinical studies
Authors: Kianifard Farid , Islam M. Zahur 
Published: December 2010

AbstractClinical studies, which have a small number of patients, are conducted by pharmaceutical companies and research institutions. Examples of constraints that lead to a small clinical study include a single investigative site with a highly specialized expertise or equipment, rare diseases, and limited time and budget. We consider the following topics, which we believe will be helpful for the investigator and statistician working together on the design and analysis of small clinical studies: definitions of various types of small studies (exploratory, pilot, proof of concept); bias and ways to mitigate the bias; commonly used study designs for randomized and nonrandomized studies, and some less commonly used designs; potential ethical issues associated with small underpowered clinical studies; sample size for small studies; statistical analysis methods for different types of variables and multiplicity issues. We conclude the paper with recommendations made by an Institute of Medicine committee, which was asked to assess the current methodologies and appropriate situations for conducting small clinical studies. Copyright © 2010 John Wiley & Sons, Ltd.
Effects of soil moisture gradients on the path and the intensity of a West African squall line
Authors: Wolters Dirk , van Heerwaarden Chiel C. , de Arellano Jordi Vilà‐Guerau , Cappelaere Bernard , Ramier David 
Published: December 2010

AbstractDuring the West African monsoon season, precipitation is strongly coupled to soil moisture availability. This interaction is generally understood as a positive feedback mechanism, and has been considered on very different spatial and temporal scales. Past research has mainly focused on this feedback in terms of the effects on general precipitation patterns, not on a single convective system. In this research, a single squall line is reproduced using the Weather Research and Forecasting Advanced Research (WRF‐ARW) mesoscale weather model. Model results are analyzed and compared with surface and upper‐air observations.A sensitivity analysis on the influence of soil moisture on the squall line is performed through five numerical experiments. In four experiments, soil moisture is increased or decreased with respect to a control experiment. This is done in two manners: by affecting soil moisture most strongly in the wetter places in the modelled domain and by affecting soil moisture most strongly in the drier places. Minor deviations occur in the path of the squall line after modifying soil moisture most strongly in the wetter places. Systematic deviations occur in its path after increasing soil moisture most strongly in the drier places. A mechanism is proposed that connects the applied soil moisture modifications to larger‐scale flow patterns that determine the path of the squall line. In all five experiments, the precipitation intensity of the squall line strongly declines when the system moves towards western areas with lower soil moisture values. It is concluded that a positive effect of local soil moisture on precipitation intensity in passing squall lines is likely on the considered length‐scale of 100 km. Until now, this mechanism has only been shown for much smaller spatial scales. Copyright © 2010 Royal Meteorological Society