bluuebunny/crossref_metadata_2025_split huggingface dataset:
Graphical disclosures by charities: clarification or distortion? The case of the Netherlands
Authors: Bonga Juliette , Jegers Marc 
Published: February 2009

Abstract
The literature on graph use and graphical distortions in nonprofit organisations is reviewed, highlighting measurement issues. A sample of 50 disclosed annual reports of Dutch charities containing graphs is analysed, leading to the observation of significant graphical distortions. These distortions seem to be related to organisational efficiency, though not in the way one might expect: better performing charities ‘embellish’ the data in their graphical representations, whereas the opposite seems to be the case for the less performing charities.
Copyright © 2009 John Wiley & Sons, Ltd.
Synergistic flammability and thermal stability of polypropylene/aluminum trihydroxide/Fe‐montmorillonite nanocomposites
Authors: Kong Qinghong , Hu Yuan , Song Lei , Yi Chengwu 
Published: February 2009

AbstractIn the present study, polypropylene/aluminium trihydroxide/Fe‐montmorillonite (PP/ATH/Fe‐MMT) nanocomposites were prepared by melt‐intercalation method. This was been designed to determine whether the presence of structural iron in the matrix could enhance the thermal stability and flammability of nanocomposites. In order to prove the effect of Fe3+ in the structural silicate layers, samples of PP/ATH and PP/ATH/Na‐MMT (no Fe3+ in structural silicate layers) were prepared under the same conditions. Fe‐MMT and Na‐MMT were modified by cetyltrimethyl ammonium bromide (CTAB). The nanocomposite structures were characterized by X‐ray diffraction (XRD), transmission electron microscopy (TEM), and thermogravimetric analysis (TGA) was applied to test the thermal properties of nanocomposites. In addition, the limiting oxygen index (LOI) of PP/ATH/Fe‐MMT nanocomposites was increased, and no dripping phenomenon was found through the UL‐94 vertical burning test. Copyright © 2009 John Wiley & Sons, Ltd.
High molecular weight biodegraded poly(lactic acid‐glycolic acid‐ε‐caprolactam) copolymer: direct polycondensation of lactic acid, glycolic acid and ε‐caprolactam using Sn(II)‐organic anhydride as catalysts
Authors: Lu De‐Dai , Yuan Jian‐Chao , Lei Zi‐Qiang 
Published: February 2009

AbstractHigh molecular weight poly(lactic acid‐glycolic acid‐ε‐caprolactam) (PLGC) copolymer was synthesized by simply heating a mixture of DL‐lactic acid aqueous, glycolic acid, and ε‐caprolactam (CLM) using organic anhydride and tin (II) chloride dihydrate (SnCl2 · 2H2O) or metal powder as catalysts without organic solvents. At the same time, in order to investigate the effects of the structure of amino acid on the properties of copolymers, poly(lactic acid‐glycolic acid‐glycine) (PLGG), poly(lactic acid‐glycolic acid‐L‐alanine) (PLGA‐1), poly(lactic acid‐glycolic acid‐β‐alanine). (PLGA‐2), poly(lactic acid‐glycolic acid‐γ‐aminobutyric acid) (PLGA‐3), and poly(lactic acid‐glycolic acid‐L‐phenylalanine) (PLGP) were synthesized under the same conditions, respectively. The structure of PLGC was confirmed by FT‐IR and NMR spectra. The average molecular weight of PLGC was determined by the Ubbelohde model (corrected by 1H‐NMR end‐group analysis). The results indicated that compounds of organic anhydride and SnCl2 · 2H2O were active, and the highest average molecular weights could achieve 9800 Da. The thermal properties were evaluated using differential scanning calorimetry (DSC) and the results indicated that the glass transition temperatures (Tgs) of polyesteramide increased with the increase in the carbon atom numbers between carboxyl and amino‐groups of amino acid. The Tgs were higher when α‐carbon atom of amino acid linked with a “rigid” group than a “soft” group. The solubility and hydrolytic degradation of PLGC copolymers were investigated. Copyright © 2009 John Wiley & Sons, Ltd.
Ion transfer in composite membranes based on MF‐4SC incorporating nanoparticles of silica, zirconia, and polyaniline
Authors: Yaroslavtsev A. B. , Stenina I. A. , Voropaeva E. Yu. , Ilyina A. A. 
Published: February 2009

AbstractThe composite membranes based on MF‐4SC incorporating nanoparticles of silica, zirconia, and polyaniline were synthesized. The transport phenomena in obtained membranes were studied with the help of different techniques. It was shown that the composite membranes had the higher proton conductivity than the initial membrane. The diffusion permeability of HCl and NaCl solutions was found to decrease for MF‐4SC/ZrO2 composite membranes and increase for MF‐4SC membranes incorporating silica or polyaniline. Copyright © 2009 John Wiley & Sons, Ltd.
Influence of liquid crystalline polymer and recycled PET as minor blending components on rheological behavior, morphology, and thermal properties of thermoplastic blends
Authors: Kayaisang Supattra , Amornsakchai Taweechai , Saikrasun Sunan 
Published: February 2009

AbstractIn this study, the potential of recycled poly(ethylene terepthalate) (rPET) as a well‐defined reinforcing material for the in situ microfibrillar‐reinforced composite (iMFC) was investigated in comparison with that of liquid crystalline polymer (LCP). Each dispersed phase (LCP or rPET) was melt blended with high density polyethylene (PE) by using extrusion process. The rheological behavior, morphology, and the thermal stability of LCP/PE and rPET/PE blends containing various dispersed phase contents were investigated. All blends and LCP exhibited shear thinning behavior, whereas Newtonian fluid behavior was observed for rPET. The incorporation of LCP or rPET into PE significantly improved the processability. A potential of rPET as a processing lubricant by bringing down the melt viscosity of the blend system was as good as LCP. The elongated LCP domains were clearly observed in as‐extruded strand. Although the viscosity ratio of the rPET/PE system was lower than that of the LCP/PE blend system, most rPET domains appeared as small droplets. An addition of LCP and rPET into the PE matrix improved the thermal resistance significantly in air but not in nitrogen. The obtained results suggested the high potential of rPET as a processing aid and good thermally resistant material similar to LCP. Copyright © 2009 John Wiley & Sons, Ltd.
Sonoembryology and early prenatal diagnosis of neural anomalies
Authors: Blaas H.‐G. K. , Eik‐Nes S. H. 
Published: February 2009

AbstractIn the following review, the early development of the central nervous system (CNS), as described by embryologists and anatomists in modern embryological textbooks, is compared with sonoanatomic descriptions from two‐dimensional (2D) and three‐dimensional (3D) ultrasound studies, week by week in the first trimester. The anatomic descriptions are limited to details that are of interest for the understanding of ultrasound examinations. Further, the detection of main CNS anomalies including spina bifida during the first trimester are presented and discussed. Empty or enlarged brain cavities, or abnormal contours of the head and spine are important diagnostic markers for the detection of CNS anomalies in the very early pregnancy. Copyright © 2009 John Wiley & Sons, Ltd.
The SN3–SN2 spectrum. Rate constants and product selectivities for solvolyses of benzenesulfonyl chlorides in aqueous alcohols
Authors: Bentley T. William , Jones Robert O. , Kang Dae Ho , Koo In Sun 
Published: February 2009

AbstractRate constants for a wide range of binary aqueous mixtures and product selectivities (S) in ethanol–water (EW) and methanol–water (MW) mixtures, are reported at 25 °C for solvolyses of benzenesulfonyl chloride and the 4‐chloro‐derivative. S is defined as follows using molar concentrations: S = ([ester product]/[acid product]) × ([water solvent]/[alcohol solvent]). Additional selectivity data are reported for solvolyses of 4‐Z‐substituted sulfonyl chlorides (Z = OMe, Me, H, Cl and NO2) in 2,2,2‐trifluoroethanol–water. To explain these results and previously published data on kinetic solvent isotope effects (KSIEs) and on other solvolyses of 4‐nitro and 4‐methoxybenzenesulfonyl chloride, a mechanistic spectrum involving a change from third order to second order is proposed. The molecularity of these reactions is discussed, along with new term ‘SN3–SN2 spectrum’ and its connection with the better established term ‘SN2–SN1 spectrum’. Copyright © 2009 John Wiley & Sons, Ltd.
Kinetics of Thermal Decomposition of Ammonium Perchlorate with Nanocrystals of Binary Transition Metal Ferrites
Authors: Singh Gurdip , Kapoor Inder Pal Singh , Dubey Shalini , Siril Prem Felix 
Published: February 2009

AbstractBinary transition metal ferrite (BTMF) nanocrystals of formula MFe2O4 (M=Cu, Co, Ni) were prepared by the coprecipitation method and characterized by X‐ray diffraction (XRD). XRD patterns gave average particle size by using Scherrer's equation for CuFe2O4 (CuF), CoFe2O4 (CoF), and NiFe2O4 (NiF) as 39.9, 27.3, and 43.8 nm, respectively. The catalytic activity measurements on the thermal decomposition of ammonium perchlorate (AP) were carried out by using thermogravimetry (TG), differential thermal analysis (DTA), and ignition delay studies. Isothermal TG data up to a mass loss of 45% have been used to evaluate kinetic parameters by using model fitting as well as isoconversional method. The order of catalytic activity was found to be:
Effect of Habit Modifiers on Morphology and Properties of Nano‐HNS Explosive in Prefilming Twin‐Fluid Nozzle‐Assisted Precipitation
Authors: Huang Hao , Wang Jingyu , Xu Wenzheng , Xie Ruizheng 
Published: February 2009

AbstractIn order to investigate the effect of crystal habit modifiers (CHM) on morphology, purity, thermal properties, and short duration shock pulses sensitivity of HNS, nanocrystalline HNS was recrystallized from ultra‐pure water by the prefilming twin‐fluid nozzle‐assisted precipitation (PTFN‐P) method with two different CHMs and without CHM. Sodium carboxymethyl cellulose (CMC‐Na) and white dextrine (WD) were selected as CHMs. The particles were characterized using SEM, BET, HPLC, DSC, and electrically exploded metal‐foil driven flyer plate. The morphology of HNS explosive without modifiers was demonstrated to be short plate‐like. However, in the presence of CMC‐Na and WD as modifiers, long plate‐like and ellipsoid morphologies were observed, respectively. The nanocrystalline HNS prepared with CMC‐Na was more receptive to high velocity flyer impact than samples produced under the other two conditions. Its sensitivity to short duration shock waves was elevated to twice the value of HNS obtained in the absence of modifiers. CMC‐Na was found to be a better modifier.
Complexes of HIV‐1 integrase with HAT proteins: Multiscale models, dynamics, and hypotheses on allosteric sites of inhibition
Authors: Di Fenza Armida , Rocchia Walter , Tozzini Valentina 
Published: February 2009

AbstractA new and very promising strategy for HIV drug discovery consists in blocking the multiple functional interactions between HIV‐1 integrase (IN) and its cellular cofactors. At present, this line of action is hindered by the absence of three‐dimensional structures of IN in complex with any of them. In this article, we developed a full‐length three‐dimensional structure of IN, including the highly flexible terminal residues 270–288, which are not experimentally solved. Additionally, we built models of IN complexed to the human acetyltransferases GCN5 and p300 based on available structural and mutagenesis data. Then, we studied the dynamical behavior of these models by means of the Coarse‐Grained Molecular Dynamics (CGMD) and Essential Dynamics (ED) to locate and characterize the nature of the largest collective motions. We found correlated motions involving distant regions of IN. Moreover, we found that these are influenced by the binding with the acetyltransferases (HATs). Taken together these findings suggest a way to affect the acetyltransferase binding by an allosteric type of inhibition and provide an important new approach for the drug design against HIV disease. Proteins 2009. © 2009 Wiley‐Liss, Inc.
A finite element‐based approach for whole‐system simulation of packaging systems for their improved design and operation
Authors: Hicks Ben James , Mullineux Glen , Sirkett Daniel 
Published: February 2009

AbstractThe introduction of legislation to minimize packaging waste requires consumer goods manufacturers to use lighter‐weight materials and increase the use of recycled materials. This is demanding that machinery manufacturers provide highly flexible machines and tooling capable of handling these materials and new package designs. However, the ability of manufacturers to achieve this is all but prevented by a lack of fundamental understanding of machine–material interactions and an ability to generate such understanding. One way to overcome this is to use advanced simulation tools to represent the whole system including machine, process, materials and product.A finite element‐based simulation has been created to represent the in‐process behaviour of a packing system. The simulation focuses on the critical transition between flattened and erected states of a carton. In order to successfully simulate such a complex process, there are a number of major challenges concerning the representation of packaging materials and their properties, changing material behaviour during processing, machinery simulation and process modelling (simulating the interfacial interactions that take place during processing).The application of the whole‐system simulation for the purposes of improved design and operation are discussed with respect to four activities: design and set‐up of tooling, determination of optimal process settings, specification of material properties and the design of the pack. In all cases, a strong correlation was observed between the theoretical results and those obtained practically, thereby enabling quantitative understanding and quantitative rules to be generated. Copyright © 2009 John Wiley & Sons, Ltd.
On a proposal for a generic package development process
Authors: Bramklev C. 
Published: February 2009

AbstractGlobalization pressures have now caused significant changes in the way industrial enterprises are organized and how products are developed, manufactured and brought to market. In global enterprises, the handling, transportation and storage of parts, sub‐assemblies and final products demand for an efficient and effective development of the product–package‐system (PPS). The objective set in this paper is to present the development of a generic package development process that facilitates the establishment of integrated product and package development and also provides a more proactive and holistic approach to the development of new and innovative packages for the global market. In an extensive review of the package development literature and through five multiple case studies within the package manufacturing industry, results on the package development process are generated and, in this paper, presented and synthesized into an updated version of the package development process. The process consists of the phases package planning, package system development, package concept design, package design, production ramp‐up, package system integration and package system production ramp‐up. The package development model proposed here takes its starting point in the development of the package system, thus providing the holistic perspective needed for being truly generic. Being generic in the given context assures or at least facilitates the possibility to support the development of the new and innovative package systems and package designs needed in the product manufacturing industry to enhance competitiveness. Copyright © 2009 John Wiley & Sons, Ltd.
Arbitrary‐order darboux transformations for position‐dependent mass schrödinger equations with noncentral potential
Authors: Schulze‐Halberg Axel , Zamora‐Gallardo E. , Peña J. J. 
Published: February 2009

AbstractWe construct Darboux transformations of arbitrary order for separable Schrödinger equations in three dimensions with noncentral potentials and position‐dependent mass. The transformed solutions and the corresponding potentials are given in closed form. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
Methods for incomplete Bessel function evaluation
Authors: Harris Frank E. , Fripiat J. G. 
Published: February 2009

AbstractPresented here are detailed methods for evaluating the incomplete Bessel functions arising when Gaussian‐type orbitals are used for systems periodic in one spatial dimension. The scheme is designed to yield these incomplete Bessel functions with an absolute accuracy of ±1 × 10−10, for the range of integer orders 0 ≤ n ≤ 12 [a range sufficient for a basis whose members have angular momenta of up to three units (s, p, d, or f atomic functions)]. To reach this accuracy level within acceptable computation times, new rational approximations were developed to compute the special functions involved, namely, the exponential integral E1(x) and the modified Bessel functions K0(x) and K1(x), to absolute accuracy ±1 × 10−15. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
Band gaps and the possible effect on impact sensitivity for some nitro aromatic explosive materials
Authors: Zhang Hong , Cheung Frankie , Zhao Feng , Cheng Xin‐Lu 
Published: February 2009

AbstractThe first principle density functional theory method SIESTA has been used to compute the band gap of several polynitroaromatic explosives, such as TATB, DATB, TNT, and picric acid. In these systems, the weakest bond is the one between an NO2 group and the aromatic ring. The bond dissociation energy (BDE) alone cannot predicate the relative sensitivity to impact of these four systems correctly. It was found that their relative impact sensitivity could be explained by considering the BDE and the band gap value of the crystal state together. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
The influence of M…M attraction on nonlinear optical properties of (XMPH3)2 (X = F, Cl; and M = Au, Ag and Cu): A theoretical study
Authors: Sun Shi‐Ling , Yang Guo‐Chun , Qin Chun‐Sheng , Qiu Yong‐Qing , Yan Li‐Kai , Su Zhong‐Min , Wang Rong‐Shun 
Published: February 2009

AbstractIt is well known that the aurophilic attraction has great influence on spectra properties. There are certain relationships between spectra and nonlinear optical properties (NLO). Here, XMPH3, (XMPH3)2 (X = F, Cl; M = Au, Ag, and Cu) were taken as the examples to be investigated to study the relationship between NLO and M···M interactions. The NLO properties of XMPH3, (XMPH3)2 (X = F, Cl; M = Au, Ag, and Cu) were carried out with finite field/second‐order Møller–Plesset perturbation theory method. The results show that polarizability tensors of dimers (αtot,d) and second‐order hyperpolarizability tensors of dimers (γtot,d) are significantly larger than αtot,m and γtot,m of corresponding monomers. It indicates that M…M interaction significantly increases αtot,d and γtot,d values. The analysis of the electronic transition shows that the charge transfer along M…M direction play the key role on increasing αtot,d and γtot,d. On the other hand, the βtot is significantly increased by changing ligands and is slightly influenced by M…M interaction. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Artificial steps to stabilize mountain rivers: a post‐project ecological assessment
Authors: Comiti F. , Mao L. , Lenzi M. A. , Siligardi M. 
Published: February 2009

AbstractThis paper compares the ecological response of reaches treated with traditional (check dams, CDs) and morphologically based (artificial steps, ASs) grade‐control works installed in a mountain river, where an unmodified reach provided reference conditions. Coarse particulate organic matter (CPOM) retentiveness was measured at the reach scale using artificial leaf release experiments. Macroinvertebrate sampling was carried out by a Surber net at pool‐ and run‐type morphological units within the three reach types, and hydraulic and sediment characteristics were measured at each Surber sampling site. In addition to calculating a variety of parameters to describe hydrodynamic and macroinvertebrate characteristics within reaches and morphological units, biotic (Extended Biotic Index, IBE) and ecological (Fluvial Functionality Index, IFF) index scores were also calculated. Results averaged at the reach scale show that CPOM retention, macrobenthos taxa richness and diversity were higher in the presence of a natural bed morphology, whereas both types of grade‐control works alter CPOM dynamics and macroinvertebrate communities. However, ASs showed CPOM retention dynamics and macroinvertebrate richness and diversity that were closer to the unmodified reach than CDs. Analysis at the unit scale demonstrated strong links between hydraulic variables and macroinvertebrate parameters such as abundance, diversity and proportion of shredders (SHR). Overall, ASs seem to provide a good trade‐off between the need to limit channel incision whilst maintaining aquatic ecosystems. Copyright © 2009 John Wiley & Sons, Ltd.
The influence of adjacent stream reaches on the local ecological status of Central European mountain streams
Authors: Kail Jochem , Hering Daniel 
Published: February 2009

AbstractMonitoring results show that restoring river habitats at a site scale does not necessarily lead to an improvement of the biological state. It has been widely stated that neglecting processes acting at the catchment scale such as diffuse nutrient or sediment inputs and a low recolonization potential are possible reasons for the relatively small ecological effect of many restoration projects. However, information on the influence of intermediate spatial scales is missing. Therefore, the objective of the present study was to investigate the effect of adjacent up‐ and downstream reaches on a site's ecological quality, as determined by the invertebrate fauna.We used invertebrate samples to assess the local ecological quality, land‐use data to describe the land‐use pressure in the upstream catchment and hydromorphological data as a proxy for the ecological status of the adjacent up‐ and downstream reaches. In the stream type investigated, upstream morphology has a significant effect on local ecological status, even when local habitat quality at the sample sites and land‐use pressure in the upstream catchment are considered as co‐variables in multivariate statistical analysis. This upstream effect is due to a positive effect of near‐natural reaches and a negative effect of heavily degraded reaches. The results indicate that upstream morphology is of similar importance to local habitat quality and is especially high in stream reaches with a medium local habitat quality. Since we used the morphological state upstream as a proxy for the ecological quality, we were not able to distinguish abiotic and biotic effects. However, there is some evidence that the upstream influence is at least partly due to biotic effects. We argue that this biotic effect is somewhat different from what is usually meant by recolonization or dispersal and is possibly due to the continuous input of a larger number of individuals.We conclude that a third spatial scale—the adjacent upstream reaches several hundred metres to a few kilometres in length—should be considered in stream restoration and management besides local habitat quality and catchment scale processes. This upstream effect might be used to enhance urban streams by restoring upstream rural reaches where the potential for stream restoration is higher. Moreover, the results can be used as a first estimate of the maximum distance between stepping stones or near‐natural reaches to enhance the habitat connectivity. Copyright © 2009 John Wiley & Sons, Ltd.