bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computer Aided Modeling of Polymer Reaction Engineering—The Status of Predici, I‐Simulation
Authors: Wulkow Michael 
Published: September 2008

AbstractOver the last decade, the simulation package Predici has evolved from a solver for population balances describing molecular weight distributions in polymer reaction kinetics to a comprehensive tool for nearly all kinds of polymer processes. The key to Predici's wide‐spread applicability might be its modular implementation reflecting the underlying mathematical concepts. Thus an overview on the current status of Predici and its applications has to start with a detailed description of the mathematical techniques and algorithms behind Predici. The second part of the article presents typical applications and modeling approaches including recent extensions of the algorithm and references to publications. A comprehensive appendix provides additional balances of the implementation.magnified image
An overlapping domain decomposition method for the simulation of elastoplastic incremental forming processes
Authors: Brunssen Stephan , Wohlmuth B. 
Published: September 2008

AbstractThe implicit finite element (FE) simulation of incremental metal cold forming processes is still a challenging task. We introduce a dynamic, overlapping domain decomposition method to reduce the computational cost and to circumvent the need for sophisticated remeshing procedures. The two FE domains interchange information using the elastoplastic operator split and the mortar method. Copyright © 2008 John Wiley & Sons, Ltd.
Leading educational change using a neuropsychological Response‐to‐intervention approach: Linking our past, present, and future
Authors: Witsken Deborah , Stoeckel Amanda , D'Amato Rik Carl 
Published: September 2008

AbstractNeuropsychology may be described as the study of brain‐behavior relationships (National Academy of Neuropsychology [NAN], 2001). Clinical neuropsychology represents the application of knowledge of the intricacies of these relationships to individual cases. Several authors have advocated for the application of neuropsychology to the public schools, a specialty some have called “school neuropsychology” (D'Amato, 1990; Hynd & Obrzut, 1981). This area of study represents the application of neuropsychological knowledge to help understand (a) childhood behavior, (b) individual student strengths and needs, (c) how students learn, and (d) how teaching can be linked to brain‐based instructional practices (D'Amato, Fletcher‐Janzen, & Reynolds, 2005b; Hale & Fiorello, 2004; Sousa, 2006). Since the term was initially introduced by Hynd and Obrzut, considerable debate has arisen regarding training, credentialing, and the professional identity of this specialty (Crespi & Cooke, 2003; Parrish, 2005; Pelletier, Hiemenz, & Shapiro, 2004). This article briefly reviews the history of neuropsychology applied to work with children, describes credentialing and training of professionals trained in both school psychology and neuropsychology, presents models of applying neuropsychology within the school setting, and outlines potential benefits of using a neuropsychologically based Response‐to‐Intervention model in the schools. © 2008 Wiley Periodicals, Inc.
School neuropsychology consultation in neurodevelopmental disorders
Authors: Decker Scott L. 
Published: September 2008

AbstractThe role of school psychologists with training in neuropsychology is examined within the context of multitiered models of service delivery and educational reform policies. An expanded role is suggested that builds on expertise in the assessment of neurodevelopmental disorders and extends to broader tiers through consultation practice. Changes in federal legislation to allow more flexible approaches toward assessment are viewed as a catalyst toward the integration of neuropsychological practice in school‐based practice. As a set of priorities, recommendations are made for reforming assessment practice in schools, linking neuropsychological test results to academic treatment outcomes, and developing consultation practice with parents and teachers for early identification purposes and to integrate school‐based services with community mental health services. © 2008 Wiley Periodicals, Inc.
Integrating Response to Intervention (RTI) with neuropsychology: A scientific approach to reading
Authors: Feifer Steven G. 
Published: September 2008

AbstractThis article integrates the fundamental components of both Response to Intervention (RTI) and cognitive neuropsychology when identifying reading disorders in children. Both proponents of RTI and cognitive neuropsychology agree the discrepancy model is not a reliable or valid method to identify learning disorders in school. In addition, both proponents of RTI and cognitive neuropsychology agree that earlier intervention and the use of evidence‐based intervention techniques must permeate the thinking behind any educational reform. Lastly, both proponents of RTI and cognitive neuropsychology concur with the National Reading Panel's (2000) five core components of the reading process. Given the similarities between RTI and neuropsychological models of reading, a more integrative assessment model will be introduced to better diagnose and remediate subtypes of reading disorders in children. In summary, it is the author's belief that cognitive neuropsychology will emerge as the leading discipline in forging the inevitable alliance between science and education. © 2008 Wiley Periodicals, Inc.
Reasons and rationales for neuropsychological tests in a multitier system of school services
Authors: Schmitt Ara J. , Wodrich David L. 
Published: September 2008

AbstractMany contemporary learning disabilities (LD) experts advocate a multitiered service delivery system. Included in this formulation is the obligation to deliver for each struggling student increasingly sophisticated and intensive services before special education is considered. For students who evidence failed response to intervention, an evaluation, suggested by some to comprise minimal cognitive and extensive achievement testing, typically ensues and helps to determine special education eligibility. We argue that neuropsychological tools are essential at this point in the process. In contrast to minimal standardized testing, use of these tools permits school psychologists to perform their most important mission – to understand, predict, and control (improve) student behavior and development by identifying learning syndromes, rather than discrete academic deficits. This article argues for neuropsychological tests as a way for school psychologists to recognize patterns of learning problems reported in the peer‐reviewed literature, which in turn promotes effective planning and intervention. © 2008 Wiley Periodicals, Inc.
Effect of Surface Free Energy on the Flowability of Lactose Powder Treated by PECVD
Authors: Spillmann Adrian , Sonnenfeld Axel , Rudolf von Rohr Philipp 
Published: September 2008

AbstractThe surface of microscopic lactose particles was modified by gas phase reactions occurring during a PECVD process to improve the flow behavior of the powder. The particulates were exposed to a capacitively coupled O2/Ar/HMDSO RF discharge in a down stream reactor by varying the gas composition and the RF power. The flowability and the surface free energy of the powders were determined by a ring shear tester and by a tensiometer, respectively. Based thereon, the change in surface free energy was determined not to be the dominating factor for the significantly enhanced flowability of the plasma‐treated powder. Rather, the flowability improvement is supposed to be affected principally by the plasma‐induced change in particle surface roughness.magnified image
Effects of chlorinated aromatic solvents on the dispersion of HiPco SWNTs
Authors: Cheng Qiaohuan , Debnath Sourabhi , Gregan Elizabeth , Byrne Hugh James 
Published: September 2008

AbstractA systematic study of the effect of chlorinated aromatic solvents such as monochlorobenzene (MCB), 1,2‐dichlorobenzene (o‐DCB), 1,3‐dichlorobenzene (m‐DCB) and 1,2,4‐trichlorobenzene (TCB) on the dispersion of HiPco SWNTs has been conducted. UV‐Vis‐NIR absorption spectroscopy coupled with an integrating sphere is employed to differentiate absorbance and scattering. An investigation of the effect of sonication time on sample preparation shows that sonication has a significant effect on the dispersion of SWNTs in organic solvents. The effect of centrifugation of the samples is also explored. For each solvent, a concentration dependent study demonstrates a clear transition between aggregates and dispersed tubes. A critical examination of the efficacy of the solvents in dispersing and solubilising the nanotubes is presented. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
“In situ” observations of carbon nanotube generation in CVD cell coupled to spectrometers
Authors: Bachmatiuk A. , Steplewska A. , Borowiak‐Palen E. , Kalenczuk R. J. 
Published: September 2008

AbstractPreliminary results of Raman spectroscopy are presented on “in situ” growth of carbon nanotubes in a CVD‐cell which is optionally coupled to a mass spectrometer (MS). The system allows to analyze the differences in the content of the types of carbon nanotubes in the sample during the processes after 2 min, 5 min, 10 min, 15 min, 20 min and 30 min. The evolved gases in the throughout synthesis were analyzed in the MS mode. Two kinds of experiments were performed: in argon atmosphere at atmospheric pressure and under vacuum at low pressure, both with CH4 as a carbon feedstock. The temperature of the experiments was set up to 600 °C. The detailed study of the process can lead to a better understanding of the carbon nanotube growth mechanism. The analysis of these phenomena is supported by high resolution transmission electron microscopy (HR‐TEM). In addition, thermogravimetric analyses of the finally obtained products in the two experiments are presented. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Pressure‐induced phase transitions in silicon studied by neural network‐based metadynamics simulations
Authors: Behler Jörg , Martoňák Roman , Donadio Davide , Parrinello Michele 
Published: September 2008

AbstractWe present a combination of the metadynamics method for the investigation of pressure‐induced phase transitions in solids with a neural network representation of high‐dimensional density‐functional theory (DFT) potential‐energy surfaces. In a recent illustration of the method for the complex high‐pressure phase diagram of silicon [Behler et al., Phys. Rev. Lett. 100, 185501 (2008)] we have shown that the full sequence of phases can be reconstructed by a series of subsequent simulations. In the present paper we give a detailed account of the underlying methodology and discuss the scope and limitations of the approach, which promises to be a valuable tool for the investigation of a variety of inorganic materials. The method is several orders of magnitude faster than a direct coupling of metadynamics with electronic structure calculations, while the accuracy is essentially maintained, thus providing access to extended simulations of large systems. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The local study of a nanoBud structure
Authors: Tian Ying , Chassaing Delphine , Nasibulin Albert G. , Ayala Paola , Jiang Hua , Anisimov Anton S. , Hassanien Abdou , Kauppinen Esko I. 
Published: September 2008

AbstractWe studied a NanoBud structure in a local‐scale using high resolution transmission electron microscopy (HRTEM), scanning tunnelling microscopy (STM) and Raman spectroscopy. The HRTEM images show fullerenes on the outer surface of a single‐walled carbon nanotube (SWCNT) and the bonding between the fullerenes and SWCNT were examined by STM measurement, in which the fullerene attachment was stable against high bias imaging. We were also able to perform Raman measurement on a NanoBud structure. Characteristic features of the individual SWCNT, assigned as (16,11), and fullerenes were observed in the vibrational spectrum. The G band and the radial breathing mode (RBM) of SWCNTs as well as an additional feature at 1460 cm–1 were clearly presented simultaneously, which indicate the NanoBud structure. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Impedance and quantitative TGA characterization of transparent carbon nanotube thin films
Authors: Ferrer‐Anglada Nuria , Puigdemont Jordi Pérez , Roth Siegmar 
Published: September 2008

AbstractMany applications currently under development have given rise to a great interest in transparent conductive thin films of single‐walled carbon nanotubes (SWCNTs). In order to construct reproducible devices with similar properties, in particular with similar impedance Z(ω), it is important to associate the electrical properties with the amount of SWCNTs in a network. We obtained thin networks of SWCNTs on transparent flexible substrates (PPC, polypropylene carbonate) with different densities of carbon nanotubes.Using a mathematical approach, the amount of SWCNTs was determined by TGA. From optical absorption spectroscopy, we were also able to estimate the relative amount of SWCNTs. The two methods are in quite good agreement. We analysed the various samples using an Agilent Impedance analyser up to 110 MHz. When the density was increased, the electrical resistance decreased and the cutoff frequency was displaced to higher values. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
CVD growth of single‐walled B‐doped carbon nanotubes
Authors: Ayala P. , Rümmeli M. H. , Gemming T. , Kauppinen E. , Kuzmany H. , Pichler T. 
Published: September 2008

AbstractChemical Vapor Deposition is a method widely used in the synthesis of carbon nanotubes of one and multiple walls. However, the interdependent parameters playing a role in this synthesis approach are scarcely explored when single‐walled doped carbon nanotubes are the aimed product. It is well known that one method of tailoring the electronic properties of single wall carbon nanotubes is the chemical modification through incorporation of heteroatoms within the tube walls. We describe here the feasibility to use chemical vapor deposition employing high vacuum conditions and a one liquid precursor acting as B and C feedstock simultaneously. TEM exhibits small nanotube bundles containing 3 to 5 tubes with a narrow diameter distribution in relation to nanotube material produced with this method (0.9 to 1.5 nm). The boron content was probed by x‐ray photoelectron spectroscopy as bulk probing method in samples with high nanotube yield. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Raman excitation profiles of β ‐carotene – novel insights into the nature of the ν1‐band
Authors: Tschirner Norman , Schenderlein Matthias , Brose Katharina , Schlodder Eberhard , Mroginski Maria Andrea , Hildebrandt Peter , Thomsen Christian 
Published: September 2008

AbstractIn the present work we have studied β ‐carotene dissolved in dichloromethane by means of resonance Raman spectroscopy. To obtain the Raman excitation profiles Raman spectra of β ‐carotene have been acquired at various wavelengths throughout the visible region. It was found that the position of the prominent peak at ca. 1524 cm–1 varies with the excitation wavelength indicating the involvement of two different modes. Possible origins of the different enhancement pattern of the two modes are discussed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Characterization of the molecular mass distribution of pullulans by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry using 2,5‐dihydroxybenzoic acid butylamine (DHBB) as liquid matrix
Authors: Schnöll‐Bitai Irene , Ullmer Roman , Hrebicek Thomas , Rizzi Andreas , Lacik Igor 
Published: September 2008

AbstractThe performances of several matrices were investigated for the accurate determination of the molecular mass distributions of pullulans by matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry (MALDI‐TOFMS). The ionic liquid matrix (ILM) 2,5‐dihydroxybenzoic acid butylamine (DHBB) gave better and more reliable results than the crystalline matrices 2,5‐dihydroxybenzoic acid (DHB) and 2,4,6‐trihydroxyacetophenone (THAP). With the ILM it was possible to obtain spectra of pullulans up to more than 100 kDa, the highest molar mass reported thus far. Owing to the known advantages of liquid matrices providing better spot‐to‐spot reproducibility, an almost noise‐free spectrum and constant baselines were obtained when working under optimized conditions. In particular, the extent of in‐source fragmentation occurring with this group of fragile polymers was considerably and decisively reduced. Thus, a more reliable representation of the true oligomer and polymer distributions is experimentally attainable, especially for distributions with small polydispersity values. The maximum error in the measured distribution associated with fragmentation was estimated by model calculations describing the changes in the polymer distribution upon different probabilities of fragmentation events. These simulation results indicated that the data obtained by MALDI‐TOFMS using the liquid DHBB matrix were of high reliability. In particular, the average value of the distributions, Mw, and the polydispersity were obtained with predicted uncertainties of between 3 and 15% depending on the width of the distribution and the mass of the polymers. Copyright © 2008 John Wiley & Sons, Ltd.
Urinary metabolic profile of 19‐norsteroids in humans: glucuronide and sulphate conjugates after oral administration of 19‐nor‐4‐androstenediol
Authors: Torrado Susana , Roig Meritxell , Farré Magi , Segura Jordi , Ventura Rosa 
Published: September 2008

Abstract19‐Nor‐4‐androstenediol (NOL) is a prohormone of nandrolone (ND). Both substances are included in the WADA List of Prohibited Classes of Substances and their administration is determined by the presence of 19‐norandrosterone (NA) with the urinary threshold concentration of 2 ng mL−1. Routine analytical procedures allow the determination of NA excreted free and conjugated with glucuronic acid, but amounts of ND and NOL metabolites are also excreted in the sulphate fraction. The aim of this study is to determine the urinary metabolic profile after oral administration of a nutritional supplement containing NOL. Urine samples were collected up to 96 h following supplement administration and were extracted to obtain separately three metabolic fractions: free, glucuronide and sulphate. Extraction with tert‐butyl methyl ether was performed after the hydrolysis steps and trimethylsilyl derivatives were analyzed by gas chromatography/mass spectrometry (GC/MS). After oral administration of NOL, the main metabolites detected were NA and noretiocholanolone (NE) in the glucuronide and sulphate fractions. The relative abundances of each metabolite in each fraction fluctuate with time; a few hours after administration the main metabolite was NA glucuronide whereas in the last sample (4 days after administration) the main metabolite was the NA sulphate and the second was the NE glucuronide. During the studied period almost half of the dose was excreted and the main metabolites were still found in urine after 96 h. Norepiandrosterone and norepietiocholanolone were also detected only in the sulphate fraction. Our results suggest that sulphate metabolites should be taken into consideration in order to increase the retrospectivity in the detection of 19‐norsteroids after oral administration. Copyright © 2008 John Wiley & Sons, Ltd.
Should we use one‐, or multi‐compartment models to describe 13C incorporation into animal tissues?
Authors: Carleton Scott A. , Kelly Leona , Anderson‐Sprecher Richard , del Rio Carlos Martínez 
Published: September 2008

AbstractUnderstanding rates of isotopic incorporation and discrimination factors between tissues and diet is an important focus of ecologists seeking to use stable isotopes to track temporal changes in diet. We used a diet‐shift experiment to measure differences among tissues in 13C incorporation rates in house sparrows (Passer domesticus). We predicted faster incorporation rates in splanchnic than in structural tissues. We also assessed whether isotopic incorporation data were better supported by the one‐compartment models most commonly used by ecologists or by multi‐compartment models. We found large differences in the residence time of 13C among tissues and, as predicted, splanchnic tissues had faster rates of isotopic incorporation and thus shorter retention times than structural tissues. We found that one‐compartment models supported isotopic incorporation data better in breath, excreta, red blood cells, bone collagen, and claw tissues. However, data in plasma, intestine, liver, pectoralis muscle, gizzard, and intestine tissues supported two‐compartment models. More importantly, the inferences that we derived from the two types of models differed. Two‐compartment models estimated longer 13C residence times, and smaller tissue to diet differences in isotopic composition, than one‐compartment models. Our study highlights the importance of considering both one‐ and multi‐compartment models when interpreting laboratory and field isotopic incorporation studies. It also emphasizes the opportunities that measuring several tissues with contrasting isotopic residence times offer to elucidate animal diets at different time scales. Copyright © 2008 John Wiley & Sons, Ltd.
Development and validation of a gas chromatography/mass spectrometry metabonomic platform for the global profiling of urinary metabolites
Authors: Pasikanti Kishore K. , Ho Paul C. , Chan Eric C. Y. 
Published: September 2008

AbstractThis paper presents a simple and reliable gas chromatography/mass spectrometry (GC/MS) method for the metabonomic analysis of human urine samples. The sample preparation involved the depletion of excess urea via treatment with urease and subsequent protein precipitation using ice‐cold ethanol. An aliquot of the mixture was separated, dried, trimethylsilyl (TMS)‐derivatized and 1.0 µL of the derivatized extract was injected into the GC/MS system via split injection (1:10). Approximately 150 putative metabolites belonging to different chemical classes were identified from the pooled human urine samples. All the identified metabolites were selected to evaluate precision and stability of the GC/MS assay. More than 95% of the metabolites demonstrated good reproducibility, with intra‐day and inter‐day precision values below 15%. Metabolic profiling of 53 healthy male and female urine samples in combination with pattern recognition techniques was performed to further validate the GC/MS metabolite profiling assay. Principal component analysis (PCA) followed by orthogonal partial least squares analysis (OPLS) revealed differences between urinary metabolite profiles of healthy male and female subjects. This validated GC/MS metabolic profiling method may be further applied to the metabonomic screening of urinary biomarkers in clinical studies. Copyright © 2008 John Wiley & Sons, Ltd.