bluuebunny/crossref_metadata_2025 huggingface dataset:
From the horse's mouth: A case for Combined‐Integrated doctoral training in professional psychology
Authors: Crowley Susan L. , Peterson Gary
Published: July 2004

Although new to many members of the psychological community, the notion of a “combined” model of training has been in existence for nearly 30 years (Beutler & Fisher, 1994). The present article is intended to outline the benefits and advantages of the Combined‐Integrated (C‐I) model. Following a brief discussion of the terms “combined” and “integrated,” the advantages of C‐I training are discussed across five key themes: (a) the high overlap across traditional practice area training, (b) the advantages of the breadth of training offered, (c) the advantages of C‐I training for the professional of psychology, (d) the pragmatic advantages of C‐I training to faculty and students, and (e) the benefits of C‐I training for salient constituency groups. © 2004 Wiley Periodicals, Inc. J Clin Psychol.
A theoretical model for biosorption of cadmium, zinc and copper by aerobic granules based on initial conditions
Authors: Liu Yu , Xu Hui , Yang Shu‐Fang , Tay Joo‐Hwa
Published: July 2004

Batch tests have been most commonly employed to investigate the biosorption isotherms of heavy metals. There is evidence showing that the biosorption isotherm is influenced by initial metal and biosorbent concentrations, namely Co and Xo. However, a quantitative description of the effect of initial conditions on biosorption isotherms still remained elusive. According to the thermodynamics of the biosorption process, an initial condition‐dependent isotherm equation for biosorption of heavy metals was derived and verified by experimental data. This model demonstrated that the biosorption isotherms of heavy metals by aerobic granules were a function of the Co/Xo ratio. The biosorption constant involved in the proposed model had a clearly defined physical meaning; this constant was found to be equal to the inverse of the thermodynamic equilibrium constant of the biosorption process. Copyright © 2004 Society of Chemical Industry
Control and legacy as functions of perceived criticality in major incidents
Authors: Crego Jonathan , Alison Laurence
Published: July 2004

This paper outlines a model that captures the experiences of 28 Senior Officers who have managed some of the most significant police incidents in the UK in the past 5 years. The process for capturing the model rests on ‘pragmatic psychology’ (Fishman, 1999; Alison, West & Goodwill, 2003), a paradigm that recognizes practitioners' experiences as a central component of research and policy development. We utilized a set of connected electronic notebooks to enable each critical incident manager to log their experiences and views of the case that they managed. As each individual logs this information, it is simultaneously distributed to all participants. Thus, information is rapidly shared, stimulating further thought and discussion. Following the initial knowledge‐sharing phase, participants reorder the material into themed categories that can then be scored against specific criteria (in this case ‘impact’ and ‘ease’). This session revealed that senior officers consider a combination of two co‐occurring issues as most significant in defining the ‘criticality’ of the incident: (i) how direct an impact the facet has on the enquiry at hand; and (ii) whether that issue will influence how the service will be judged (by the community, the victims and the media). These issues were perceived as the most complex and difficult to deal with. We argue that this perception is a joint function of perceived lack of control alongside the belief that judgment and blame regarding the incident will ultimately reside with them as managers. Copyright © 2004 John Wiley & Sons, Ltd.
Features and investigative implications of muti murder in South Africa
Authors: Labuschagne Gérard
Published: July 2004

Drawing upon anthropological, legal and forensic publications, an interview with a South African Zulu traditional healer and direct information gained during homicide investigations, the nature of Muti murder is discussed. Muti murder is defined as a murder in which body parts are removed from a live victim for the sole purpose of using the victim's body parts medicinally. These body parts are then often mixed with other ingredients or used alone to make a medicine called muti. Muti is a Zulu (umuthi) word meaning medicine. The victim usually dies as a result of blood loss from the wounds. While muti murders have occurred throughout history in South African culture, little is known about them and little research exists on the phenomenon. The term muti murder has been used interchangeably with the term ritual or sacrificial murder, often adding to confusion in terminology and definitions regarding these types of cases. This paper provides an overview of muti murder, explains the context in which these types of murder occur, defines the offenders and victims involved, and provides guidelines for investigating these types of murders. Two cases where muti murder was suspected are discussed. Copyright © 2004 John Wiley & Sons, Ltd.
Palestinian suicide bombers
Authors: Soibelman Mali
Published: July 2004

The factors underlying the development of Palestinian suicide bombers are explored through a review of published studies and drawing on interviews with five bombers caught before they detonated the bombs they were carrying. The concomitants of becoming a suicide bomber are explored through political, social and psychological processes, including religious and ideological belief systems and personal characteristics. It is argued that there is no single cause or explanation for taking on this role, but that it comes out of a mixture of circumstances, which varies from individual to individual. The current review challenges the common assumption that all suicide bombers are teenage religious fanatics and shows that less extreme personality characteristics can lead to a person deciding to kill him/herself for a cause, given other circumstances. The implications of these findings as well as the weaknesses in the current study are discussed. Copyright © 2004 John Wiley & Sons, Ltd.
Suicide without explicit precursors: a state of secret despair?
Authors: Canter David , Giles Susan , Nicol Catherine
Published: July 2004

Although it is usually assumed that all those who commit suicide give some prior indication of their intention to take their own life, there is growing evidence that a small but significant proportion of suicides occur without any clear, explicit indicators. It is proposed that these suicides share similar pathways to other suicides but that the despair involved is not expressed so clearly, often being kept secret. In order to identify such suicides and potential suicides it is helpful to have an indicator of the dominant sub‐sets of constituents that are precursors to suicide. A 14‐item Suicide Precursors Scale (SPS) was therefore developed. This was applied to 128 cases of suicide that occurred between January 1997 and December 2000 in Stockport (South Manchester, UK). A very high alpha coefficient of 0.98 supported the reliability and homogeneity of the SPS. A Multi‐Dimensional Scaling (MDS) analysis of the SPS revealed three prototypical sub‐sets of expressions of suicidal actions—illness, life circumstances, and depressive history. These are offered as coherent themes in the life of potential suicides, which may be of assistance both in determining whether an equivocal death is suicide or not, and in alerting caring agencies to the potential for suicide even when the despair is kept secret. Copyright © 2004 John Wiley & Sons, Ltd.
Actin‐binding proteins in a postsynaptic preparation: Lasp‐1 is a component of central nervous system synapses and dendritic spines
Authors: Phillips Greg R. , Anderson Tonya R. , Florens Laurence , Gudas Christopher , Magda Gabriela , Yates John R. , Colman David R.
Published: July 2004

CNS synapses are complex sites of cell–cell communication. Identification and characterization of the protein components of synapses will lead to a better understanding of the mechanisms of neurotransmission and plasticity. We applied multidimensional protein identification technology (MudPIT) to purified, guanidine‐solubilized postsynaptic fractions to identify novel synaptically localized molecules. We identified several actin‐associated proteins known to regulate actin polymerization and control cell motility in nonneural cells that have not previously been associated with CNS synaptic function. One of these is lasp‐1, an actin‐associated LIM and SH3 domain‐containing protein. We show that lasp‐1 is strongly expressed by CNS neurons and is concentrated at synaptic sites. Overall, the preponderance of actin‐associated proteins in postsynaptic density fractions, and specifically those involved in actin reorganization, suggests that there are many modes by which the state of synaptic F‐actin polymerization and, hence, synaptic physiology are affected. © 2004 Wiley‐Liss, Inc.
Fate of transient catecholaminergic cell types revealed by site‐specific recombination in transgenic mice
Authors: Matsushita Natsuki , Kobayashi Kenta , Miyazaki Jun‐ichi , Kobayashi Kazuto
Published: July 2004

Catecholamine‐producing cell types are generated from specified neuronal lineages during vertebrate development. The catecholaminergic phenotype is also expressed transiently in some cell types in non‐catecholaminergic tissues, including the sensory ganglia, enteric ganglia, and ventral portions of the neural tube during embryonic development. The fate of the transient catecholaminergic cell types at later developmental stages, however, has not been elucidated. We developed a Cre‐loxP‐mediated recombination system under the control of the dopamine β‐hydroxylase (DBH) promoter, which drives gene expression in typical noradrenergic and adrenergic cell groups as well as in transient catecholaminergic cell types. Expression of Cre recombinase in transgenic mice resulted in an efficient recombination in noradrenergic and adrenergic cell groups at the adult stage. The recombination was also induced in the cranial nerve/spinal cord motor neurons and sensory/enteric ganglion neurons. Analysis of recombination patterns in transgenic mouse embryos showed the occurrence of recombination during prenatal development in both cell types exhibiting the typical and transient catecholaminergic phenotypes. Because the DBH gene promoter is expressed transiently in the ventral neural tube and sensory ganglion during embryonic development, our results provide evidence that the cell types showing a transient catecholaminergic phenotype in these tissues are destined to become mature motor neurons or sensory ganglion neurons during subsequent differentiation. © 2004 Wiley‐Liss, Inc.
Neurotensin receptor‐3/sortilin mediates neurotensin‐induced cytokine/chemokine expression in a murine microglial cell line
Authors: Dicou Eleni , Vincent Jean‐Pierre , Mazella Jean
Published: July 2004

We show that the type I neurotensin receptor‐3 (also called sortilin) is the only known neurotensin receptor expressed in a murine microglial cell line and that its activation leads to phosphorylation of both extracellular signaling‐regulated (Erk1/2) and Akt kinases. Using semiquantitative reverse‐transcriptase (RT) PCR, we demonstrate that neurotensin induces gene expression of several cytokines/chemokines including macrophage inflammatory protein (MIP)‐2, monocyte chemotactic protein (MCP)‐1, interleukin (IL)‐1β and tumor necrosis factor (TNF)‐α. This induction is dependent on both phosphatidylinositol 3‐kinase and mitogen‐activated protein kinases pathways. We observe that the effect of neurotensin on cytokine/chemokine expression is inhibited by the neurotensin receptor‐3 propeptide, a selective ligand of this receptor. These results demonstrate that the neurotensin receptor‐3 is functional in microglial cells where it mediates the induction of chemokines/cytokines expression by neurotensin. © 2004 Wiley‐Liss, Inc.
Einfluss von Temperatur und Vorverformung auf das plastische Werkstoffverhalten von modernen Karosseriestählen
Authors: Bleck W. , Frehn A. , Ohlert J. , Sonne H.‐M. , Steinbeck G.
Published: July 2004

Im einem gemeinsam von der Automobil‐ und Stahlindustrie durchgeführten Projekt wurde das plastische Werkstoffverhalten von 20 Stählen für Feinblech beschrieben. Im Einzelnen wurden Fließkurven im quasistatischen Zugversuch bei den Temperaturen ‐40 °C, 23 °C und 100 °C sowohl im Anlieferungszustand als auch in verschiedenen Vorverformungs‐ und Wärmebehandlungszuständen ermittelt. Des Weiteren führten Versuche im Rahmen der technologischen Blechprüfung zu Grenzformänderungsschaubildern sowie zu Tiefzieh‐Arbeitsbereichen und Grenzziehverhältnissen. Die Ergebnisse der Zugversuche offenbarten signifikante Unterschiede zwischen einzelnen Stahlgruppen hinsichtlich ihres Verfestigungsverhaltens, das durch Verfestigungskurven und abgeleitete Kennwerte wie dem Streckgrenzenverhältnis Rp0,2/Rm oder dem ΘIV‐Wert beschrieben werden kann sowie deren Temperaturabhängigkeit. Das Projekt hat gezeigt, dass es innerhalb dieser definierten Stahlgruppen mit ähnlichem Verfestigungsverhalten grundsätzlich möglich erscheint, nur für wenige ausgewählte Zustände Fließkurven aufzunehmen und die Fließkurven von Stählen abweichender Festigkeit vorherzusagen. Dies ist eine wichtige Voraussetzung für die kostengünstige Bereitstellung von Eingabegrößen für eine numerische Werkstoff‐ und Bauteilmodellierung.
Measurement of the sign and the magnitude of heteronuclear coupling constants from spin‐state‐edited J‐cross‐polarization NMR experiments
Authors: Parella Teodor , Belloc Jordi , Sánchez‐Ferrando Francesc
Published: July 2004

New spin‐state‐selective (S3) NMR pulse sequences exclusively applying cross‐polarization schemes to achieve optimum homonuclear and heteronuclear 1HX coherence transfer are reported for the simple and accurate measurement of the magnitude and sign of heteronuclear coupling constants for samples at natural abundance. The proposed spin‐edited HCP‐TOCSY experiments are based on clean heteronuclear S3 excitation, generated by simultaneous co‐addition of two independent in‐phase and anti‐phase components created during the mixing heteronuclear J‐cross‐polarization (HCP) step, which is finally transferred to other protons by a conventional homonuclear TOCSY mechanism. Selective 1D and non‐selective 2D approaches for the easy determination of long‐range proton–carbon and proton–nitrogen coupling constants on any protonated and non‐protonated heteronuclei are presented and discussed for several organic molecules. Copyright © 2004 John Wiley & Sons, Ltd.
Restricted structure predictive optimal control
Authors: Grimble M. J.
Published: July 2004

The design of low‐order predictive optimal controllers, that involve a multi‐step cost index and future setpoint knowledge, is considered. The usual predictive controller is of high order and the aim is to develop simpler structures, suitable for applications where PID controllers might be employed. The system is assumed to be represented by a discrete‐time state‐space model, which is very general, and the quadratic cost‐function may include dynamic cost weighting terms. Using this approach, it is straightforward to generate a much lower‐order predictive controller and thereby simplify implementation. Even with a continuing improvement in computational power there are many good reasons why low‐order simple controllers have advantages in real applications. Copyright © 2004 John Wiley & Sons, Ltd.
Optimal investments with convex–concave revenue: a focus‐node distinction
Authors: Hartl Richard F. , Kort Peter M.
Published: July 2004

This paper considers a capital accumulation model in which revenue is a convex–concave function of the capital stock. While for certain capital values increasing returns to scale are reasonable, usually this property does not hold in general. In particular for large capital stock values it becomes increasingly difficult and thus expensive to produce more and more because of limitations of resources or infrastructure, lack of trained personnel in the region, etc. We give a complete classification under which parameter constellations a saddle point equilibrium is optimal, when it is optimal to close down by choosing zero investment and when history dependent equilibria occur. In the last scenario we distinguish between different types of the unstable equilibrium, which can each have their own implication for the firm's investment policy. Copyright © 2004 John Wiley & Sons, Ltd.
Evaluating the best value framework in UK local government services
Authors: McAdam Rodney , Walker Timothy
Published: July 2004

The aim of this article is to conduct an exploratory multiple case analysis of local government delivery of Best Value by focusing on Environmental Waste Management Service (EWMS) delivery. EWMS is chosen as a key area of Best Value development and application. The Best Value framework was developed by the UK Government to introduce performance management to local government as part of the ‘Modernising Government’ agenda. There is a need to critically evaluate Best Value so that local government can determine if this is a suitable and sustainable framework for the management of public services and that it can make a contribution to increased public service effectiveness. The article describes an exploratory multiple case research study and shows that the imposition of Best Value in local government must recognise the complexity and diversity within local government services, rather than adopting an inflexible approach to deployment. There is a need to go beyond generalised performance measures and benchmarks and to attempt to understand the difficulties and complexities of localised conditions. Copyright © 2003 John Wiley & Sons, Ltd.
Taxation and local government accountability in a clientelist context: Colombia
Authors: Merat Jacques
Published: July 2004

Increasing the accountability of local government is an important objective of decentralisation. One way to achieve greater accountability is to enhance the reliance of local governments on locally raised taxes. Property taxes are a prime source of increased revenue for local governments. However, it is difficult to levy them effectively in clientelist political systems, like that of Colombia. Recent reforms there have increased the capacity of municipal governments to raise revenue through property taxation. Giving responsibility for assessments of property values to an independent national agency has been especially useful. Municipal government finances are now to some degree independent and protected from the influence of clientelistic political parties. However continuing problems include: the reluctance of mayors to enforce taxation liabilities; the obstacles to opening local political debates on taxation; and the problems faced by national governments in trying to monitor municipal revenues and expenditures. Copyright © 2003 John Wiley & Sons, Ltd.
Decentralisation of service delivery as adopted by the Central District Council in Botswana
Authors: Meyer‐Emerick Nancy , Mothusi Bashi , Molaodi Daniel K.
Published: July 2004

The Central District Council (CDC) in Botswana expanded service delivery to five sub‐districts in January 2000 using a model adapted from the South Somerset District Council, UK. As little data were available on the effectiveness of decentralised service delivery, officials and councillors throughout CDC were interviewed regarding their perception of the process. They not only provided recommendations for enhanced implementation but also identified some of the tensions resulting from it. Copyright © 2004 John Wiley & Sons, Ltd.
Review of electronic and optical properties of semiconducting π‐conjugated polymers: applications in optoelectronics
Authors: Moliton André , Hiorns Roger C
Published: July 2004

A general overview of the optoelectronic properties of π‐conjugated polymers is presented. Two types of polymer are discerned: interchangeable structures of the same energy (degenerate), such as polyacetylene; and non‐degenerate polymers, such as poly(para‐phenylene). The band structures of degenerate and non‐degenerate polymers are related to their conductivities in doped and non‐doped states. In both cases, disorder and impurities play an important role in conductivity. Polarons, bipolarons and excitons are detailed with respect to doping and charge transfers. Given the fibrillic nature of these materials, the variable range hopping (VRH) law for semiconducting polymers is modified to account for metallic behaviours. Optoelectronic properties—electroluminescence and photovoltaic activity—are explained in terms of HOMO and LUMO bands, polaron‐exciton and charge movement over one or more molecules. The properties of H‐ or J‐type aggregates and their effects on transitions are related to target applications. Device structures of polymer light‐emitting diodes are explicitly linked to optimising polaron recombinations and overall quantum efficiencies. The particularly promising use of π‐conjugated polymers in photovoltaic devices is discussed. Copyright © 2004 Society of Chemical Industry
Atom transfer radical polymerization of methyl methacrylate at ambient temperature using soluble Cu(I) complex catalysts formed with mixed ligands of multidentate amines and halide ions
Authors: Chatterjee Dhruba P. , Chatterjee Uma , Mandal Broja M.
Published: July 2004

An Erratum has been published for this article in
J Polym Sci Part A: Polym Chem (2004) 42(19) 5030.

The addition of soluble quaternaryammonium halides (QX) in catalytic amounts takes into solution CuX/pentamethyldiethylenetriamine (PMDETA) complex (X = Cl, Br) in methyl methacrylate (MMA). The soluble catalyst complex provided much better control of the polymerization of MMA at ambient temperature than did the insoluble catalyst formed in the absence of QX, with CuCl/PMDETA/Aliquat® 336 (AQCl) proving to be superior to the CuBr/PMDETA/Bu4NBr catalyst system. The effect was independent of the size of the quaternaryammonium ion. Also, the presence of Cl in the catalyst–QX combination either as CuCl or as QCl was enough to give much better control than that provided by a wholly Br‐based system. Among the various initiators used, that is, ethyl 2‐bromoisobutyrate (EBiB), methyl 2‐bromopropionate (MBP), 1‐phenylethyl bromide (PEBr), and p‐toluenesulfonyl chloride (pTsCl), only EBiB gave a satisfactory result. With MBP and PEBr the initiation was slower than the propagation, whereas with pTsCl the initiation was very fast, so that instantaneous termination occurred. The living nature of the polymers was shown by block copolymer preparation. It has been suggested that some of the added halide ions entered into the coordination spheres of Cu(I) and Cu(II), leading to their improved solubility and stronger deactivation by the Cu(II) complex. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4132–4142, 2004
Nitroxide‐mediated free‐radical copolymerization of styrene with butyl acrylate
Authors: Cuervo‐Rodriguez Rocio , Bordegé Vanesa , Fernández‐Monreal Maria Carmen , Fernández‐García Marta , Madruga Enrique L.
Published: July 2004

Controlled free‐radical copolymerization of styrene (S) and butyl acrylate (BA) was achieved by using a second‐generation nitroxide, N‐tert‐butyl‐N‐[1‐diethylphosphono‐(2,2‐dimethylpropyl)] nitroxide (DEPN), and 2,2‐azobisisobutyronitrile (AIBN) at 120 °C. The time‐conversion first‐order plot was linear, and the number‐average molecular weight increased in direct proportion to the ratio of monomer conversion to the initial concentration, providing copolymers with low polydispersity. The monomer reactivity ratios obtained were rS = 0.74 and rBA = 0.29, respectively. To analyze the convenience of applying the Mayo–Lewis terminal model, the cumulative copolymer composition against conversion and the individual conversion of each monomer as a function of copolymerization time were studied. The theoretical values of the propagating radical concentration ratio were also examined to investigate the copolymerization rate behavior. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4168–4176, 2004
Mixed iridium(III) and ruthenium(II) polypyridyl complexes containing poly(ε‐caprolactone)‐bipyridine macroligands
Authors: Marin Veronica , Holder Elisabeth , Hoogenboom Richard , Schubert Ulrich S.
Published: July 2004

A hydroxy‐functionalized bipyridine ligand was polymerized with ε‐caprolactone utilizing the controlled ring‐opening polymerization of ε‐caprolactone in the presence of stannous octoate. The resulting poly(ε‐caprolactone)‐containing bipyridine was characterized by 1H NMR and IR spectroscopy, and gel permeation chromatography, as well as matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry, revealing the successful incorporation of the bipyridine ligand into the polymer chain. Coordination to iridium(III) and ruthenium(II) precursor complexes yielded two macroligand complexes, which were characterized by NMR, gel permeation chromatography, matrix‐assisted laser desorption/ionization time‐of‐flight MS, cyclic voltammetry, and differential scanning calorimetry. In addition, both photophysical and electrochemical properties of the metal‐containing polymers proved the formation of a trisruthenium(II) and a trisiridium(III) polypyridyl species, respectively. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4153–4160, 2004
New polyamidation through the activation of amino groups with phenyl dichlorophosphite in pyridine
Authors: Higashi Fukuji , Yokote Shuhji , Murakawa Tatsuzo
Published: July 2004

Polyamidation with phenyl dichlorophosphite (PDCP) as a new condensing agent was studied. A model reaction of benzoic acid and aniline with PDCP through a change in their addition order revealed that PDCP reacted with aniline more favorably than it did with the acid, and it could activate about 2 mol of aniline to produce benzanilide in a nearly quantitative yield. A preferential reaction with aniline occurred even in the presence of the acid. The reaction was applied to the polyamidation of dicarboxylic acids and diamines or of p‐aminobenzoic acid (PABA) with 0.6 equiv of PDCP with respect to the amino groups in pyridine/N‐methyl‐2‐pyrrolidone in the presence of LiCl. Polyterephthalamides and polyisophthalamides with moderate inherent viscosity values were produced. The polycondensation of PABA was significantly promoted by the slow addition of PDCP over a period of 20–40 min and the presence of LiCl, producing poly(p‐benzamide) with inherent viscosity values of about 2.4. Unsubstituted PDCP and PDCPs with an electron‐donating methoxy substituent afforded better results. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4126–4131, 2004
Kinetic analysis of the mechanolysis of polymethylmethacrylate in the course of vibratory ball milling at various mechanical energy
Authors: Kondo Shin‐ichi , Sasai Yasushi , Hosaka Shouichi , Ishikawa Takaaki , Kuzuya Masayuki
Published: July 2004

We carried out the mechanolysis of polymethylmethacrylate (PMMA) at various mechanical energies and analyzed kinetically the mechanoradical concentration and molecular weight at various mechanical energies. The radical concentration gradually increased to a maximum and then gradually decreased after reaching the maximum value. It is suggested that the radical quenching reaction (disproportionation and/or recombination) progressed together with radical formation. Kinetic analysis of the mechanoradical concentration indicated that the actual amounts of mechanoradicals produced were larger than observed. It is also suggested that vast numbers of reactions take place in mechanolysis. The molecular weight decreased exponentially toward the limiting value, and the limiting molecular weight was larger with decreases in mechanical energy. It is also suggested that mechanoradical formation is inversely proportional to the change in molecular weight at any given mechanical energy. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4161–4167, 2004
Synthesis and characterization of novel fluorinated polyimides derived from 4,4′‐[2,2,2‐trifluoro‐1‐(3‐trifluoromethylphenyl)ethylidene]diphthalic anhydride and aromatic diamines
Authors: Yang S. Y. , Ge Z. Y. , Yin D. X. , Liu J. G. , Li Y. F. , Fan L.
Published: July 2004

A novel fluorinated aromatic dianhydride, 4,4′‐[2,2,2‐trifluoro‐1‐(3‐trifluoromethyl‐phenyl)ethylidene]diphthalic anhydride (TFDA) was synthesized by coupling of 3′‐trifluoromethyl‐2,2,2‐trifluoroacetophenone with o‐xylene under the catalysis of trifluoromethanesulfonic acid, followed by oxidation of KMnO4 and dehydration. A series of fluorinated aromatic polyimides derived from the novel fluorinated aromatic dianhydride TFDA with various aromatic diamines, such as p‐phenylenediamine (p‐PDA), 4,4′‐oxydianiline (ODA), 1,4‐bis(4‐aminophenoxy)benzene (p‐APB), 1,3‐bis(4‐amino‐phenoxy)benzene (m‐APB), 4‐(4‐aminophenoxy)‐3‐trifluoromethylphenylamine (3FODA) and 1,4‐bis(4‐amino‐2‐trifluoromethylphenoxy)benzene (6FAPB), were prepared by polycondensation procedure. All the fluorinated polyimides were soluble in many polar organic solvents such as NMP, DMAc, DMF, and m‐cresol, as well as some of low boiling point organic solvents such as CHCl3, THF, and acetone. Homogeneous and stable polyimide solutions with solid content as high as 35–40 wt % could be achieved, which were prepared by strong and flexible polyimide films or coatings. The polymer films have good thermal stability with the glass transition temperature of 232–322 °C, the temperature at 5% weight loss of 500–530 °C in nitrogen, and have outstanding mechanical properties with the tensile strengths of 80.5–133.2 MPa as well as elongations at breakage of 7.1–12.6%. It was also found that the polyimide films derived from TFDA and fluorinated aromatic diamines possess low dielectric constants of 2.75–3.02, a low dissipation factor in the range of 1.27–4.50 × 10−3, and low moisture absorptions <1.3%. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4143–4152, 2004
The relative orientation of the Arg and Asp side chains defined by a pseudodihedral angle as a key criterion for evaluating the structure–activity relationship of RGD peptides
Authors: Kostidis Sarantos , Stavrakoudis Athanassios , Biris Nikolaos , Tsoukatos Demokritos , Sakarellos Constantinos , Tsikaris Vassilios
Published: July 2004

The ability of an integrin to distinguish between the RGD‐containing extracellular matrix proteins is thought to be due partially to the variety of RGD conformations. Three criteria have been proposed for the evaluation of the structure–activity relationship of RGD‐containing peptides. These include: (i) the distance between the charged centres, (ii) the distance between the Arg Cβ and Asp Cβ atoms, and (iii) the pseudo‐dihedral angle defining the Arg and Asp side‐chain orientation formed by the Arg Cζ, Arg Cα, Asp Cα and Asp Cγ atoms. A comparative conformation–activity study was performed between linear RGD peptides and strongly constrained cyclic (S,S) ‐CDC‐ bearing compounds, which cover a wide range of inhibition potency of platelet aggregation. It is concluded that the fulfilment of the −45° ≤ pseudo‐dihedral angle ≤ +45° criterion is a prerequisite for an RGD compound to exhibit inhibitory activity. Once this criterion is accomplished, the longer the distance between the charged centres and/or between the Arg and Asp Cβ atoms, the higher is the biological activity. In addition, the stronger the ionic interaction between Arg and Asp charged side chains, the lower the anti‐aggregatory activity. Copyright © 2004 European Peptide Society and John Wiley & Sons, Ltd.
Hybrid α/β3‐peptides with proteinogenic side chains. monosubstituted analogues of the chemotactic tripeptide For‐Met‐Leu‐Phe‐OMe
Authors: Giordano Cesare , Lucente Gino , Mollica Adriano , Nalli Marianna , Zecchini Giampiero Pagani , Paradisi Mario Paglialunga , Gavuzzo Enrico , Mazza Fernando , Spisani Susanna
Published: July 2004

The α/β3‐mixed tripeptides R‐CO‐β3‐HMet‐Leu‐Phe‐OMe (1a,b), R‐CO‐Met‐β3‐HLeu‐Phe‐OMe (2a,b) and R‐CO‐Met‐Leu‐β3‐HPhe‐OMe (3a,b) (a, R = tert‐butyloxy‐; b, R = H−), analogues of the potent chemoattractant For‐Met‐Leu‐Phe‐OMe, have been synthesized by classical solution methods and fully characterized. The activities of the new analogues as chemoattractants, superoxide anion producers and lysozyme releasers have been determined on human neutrophils. Whereas all of the three N‐formyl derivatives are significantly less active than the parent tripeptide as chemoattractants, compound 1b has been found to be highly active as a superoxide anion producer and 3b as a lysozyme releaser. The results show that the replacement of the native Leu residue at the central position is, in each of the examined cases, the least favourable modification. The three N‐Boc derivatives are, as expected, devoid of activity as agonists, but they are all good inhibitors of chemotaxis. Information on the solution conformation has been obtained by examining the involvement of the NH groups in intramolecular H‐bonds using 1H NMR. The conformation of the N‐Boc analogue 1a has also been determined in the crystal state by x‐ray diffraction analysis. The molecule is extended at the β3‐HMet residue (φ1 = −87°;θ1 = 172°;ψ1 = 126° ) and no intramolecular H‐bond is present. Copyright © 2004 European Peptide Society and John Wiley & Sons, Ltd.
Electron‐impact single ionization cross sections of helium isoelectronic systems
Authors: Uddin M. Alfaz , Basak A. K. , Saha B. C.
Published: July 2004

The cross sections for electron‐impact single ionization of helium‐like targets,—Li+, B3+, C4+, N5+, O6+, Ne8+, Na9+, Fe24+, Ag45+, and U90+—are calculated using a recently propounded parameter‐free relativistic binary encounter (RBEA) model, which remains valid up to the relativistic energy domain. Our RBEA results are compared with those of the Coulomb–Born (CB) approximation, distorted wave Born approximation (DWBA), relativistic two‐potential DWBA (RTPD), the simple empirical model of Brenshtam et al. (BRY), and the model of Deutsch and Märk (DM) along with the available experimental data. The RBEA model, while keeping the comparable predictive power of cross sections, is found to overcome the limitations of the empirical BRY and DM models with their fitting parameters, and the quantum mechanical CB, DWBA, and RTPD theories with arduous and lengthy calculations. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Spatial partitioning of the molecular wave function: Reexamination of the bond‐charge model of covalent binding
Authors: Camparo James
Published: July 2004

Owing to the complexity of many‐body quantum interactions, theoretical problems in chemistry almost always necessitate numerical methods of solution. In turn, and somewhat paradoxically, this reliance on computation often precipitates a need for approximate models that can provide a conceptual framework for the interpretation of the accurate numerical solutions. In this report, we reexamine and improve upon the simple bond‐charge (SBC) model of Parr and Borkman with the express purpose of examining its role as a suitable intuitive model for bonding energetics. We first discuss the role of spatial partitioning in the SBC model and the molecular‐structure approximations that are implicit within the model. We then develop an improved version of the model by including electrostatic repulsion between shared electron pairs; we refer to this enhanced version as a semiempirical charge‐cloud (SCC) model. Applying the SCC model to a broad range of diatomics, we find that it is able to predict dissociation energies on a par with simple variational calculations. As an illustrative application of the SCC model, we use it to estimate unknown dissociation energies and rotational constants for a number of alkali dimers. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Highly accurate numerical results for three‐center nuclear attraction and two‐electron Coulomb and exchange integrals over Slater‐type functions
Authors: Safouhi Hassan
Published: July 2004

The present work focuses on the recent progress in nonlinear transformation methods for improving the convergence of highly oscillatory integrals and in their applications for an efficient and rapid numerical evaluation of molecular electronic integrals over Slater‐type functions (STFs). The nonlinear D transformation, which is probably the most effective general approach for increasing the rate of convergence of semi‐infinite oscillatory integrals, is presented. Molecular integrals over STFs are expressed as finite linear combinations of integrals over B functions. The basis set of B functions is suitable to apply the Fourier transform method, which led to analytic expressions, involving highly oscillatory functions, for molecular integrals. Efficient algorithms based on the D transformation are now developed for a numerical evaluation of molecular integrals over STFs. Numerical results that we obtained with linear and nonlinear molecules, and which are in agreement with those obtained using existing codes (Alchemy, STOP, and ADGGSTNGINT), show that the algorithms described in this work are relevant. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Choice of atomic orbitals to evaluate sensitive properties of molecules: An example of NMR chemical shifts
Authors: Hoggan Philip E.
Published: July 2004

Now ab initio or density functional theory (DFT) molecular property calculations over a Slater‐type orbital basis are available in several software packages. In this work, the relative merits of various exponential‐type orbitals (ETOs) are investigated for solving problems of interest to nuclear magnetic resonance (NMR), while showing how they are related mathematically. The preferred ETOs will be shown to be the hydrogenic orbitals and similar Coulomb Sturmians. Slater‐type functions (STFs) will be compared with them, and suitable equivalent (seldom used) combinations given. The correct shielding of the nucleus, resulting from radial factors of hydrogenic orbitals, is finally shown to be essential in the evaluation of precise nuclear shielding tensors for NMR spectroscopy of molecules using ab initio or DFT methods. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
POWER TOWER – Amusement Ride und Ingenieurbauwerk
Authors: Schmitt Walter , Hassan Jan A. E.
Published: July 2004

Fahrgeschäfte, die ihren Fahrgästen für einige Sekunden das Erlebnis des freien Falls verbunden mit dem Gefühl der Schwerelosigkeit vermitteln, werden als Freifalltürme bezeichnet. Auch hier treffen Entwicklungen im Sinne von “Höher – Schneller – Spektakulärer” den Zeitgeist. Am Beispiel des POWER TOWER, einer Weiterentwicklung des Prinzips Freifallturm, wird in diesem Beitrag aufgezeigt, wie diesem Zeitgeist einerseits und der Sicherheitsverpflichtung des Ingenieurs andererseits Rechnung getragen werden kann. Beschrieben werden die Hauptstrukturen Gondel und Mast, deren Zusammenwirken, das mechanische Modell, die dynamischen Ansätze sowie die Bemessungsansätze zur Erzielung einer ausreichend sicheren Konstruktion. Auswirkungen auf die Konstruktion werden aufgezeigt.
Schadensanalyse und Instandsetzungsplanung der Talbrücke Bergen
Authors: Schütz Karl G.
Published: July 2004

Die Talbrücke Bergen wurde aufgrund gravierender Korrosionsschäden eingehend untersucht. Die Schadensbewertung ergab, daß eine grundhafte Instandsetzung nicht empfehlenswert ist. Es wurde daraufhin entschieden, eine Minimallösung zu suchen, die einerseits eine ausreichende Stand‐, Verkehrs‐ und Betriebssicherheit bis zur Verkehrsfreigabe eines Neubaus (2010) gewährleistet, aber andererseits mit geringst möglichen Kosten auskommt, sowie die Wiederverwendung z. B. des Geländers erlaubt. Die statische Nachrechnung ergab, daß die Fahrbahnlängsträger und Querträger in erheblichem Umfang verstärkt werden müßten. Messungen am Bauwerk halfen, versteckte Tragreserven (Modellabbildung und Lastannahmen) aufzuzeigen. Die zuvor genannten Verstärkungen dürfen unterbleiben. Für die Querträgerobergurte erfolgt eine regelmäßige Inspektion. In die Festlegung der Inspektionsintervalle gehen die Ergebnisse einer Langzeitmessung sowie einer bruchmechanischen Untersuchung ein. Die Instandsetzungsplanung umfaßt im wesentlichen die teilweise Erneuerung des Korrosionsschutzes, die Ertüchtigung einzelner, zu stark korrodierter Stahlbauteile, den Einbau einer neuen Gleitschutzwand und eines neuen Geländers, den Einbau von Schutznetzen gegen herabfallende Teil e und Betoninstandsetzungsarbeiten.
Translokation Häuslmann – ein historischer Bauernhof geht auf die Reise
Authors: Graf Ulrich , Will Axel
Published: July 2004

Ein über 250 Jahre altes Bauernhaus wird zerlegt und von Aschau ins 30 km entfernte Bauernhausmuseum Amerang versetzt. Hierbei wurde das Mauerwerk in Wandscheiben bis 12 m Länge zersägt und mit speziellen Hebezeugen versetzt, transportiert und am neuen Standort wieder aufgebaut. Die Gewölbeküche mit einem Gesamtgewicht von 50 t wurde in einem Stück versetzt. Es werden die Stahlbauhebezeuge und die Technologie beim Zerlegen, Transport und beim Wiederaufbau beschrieben.
Der Kettensteg in Nürnberg – die älteste erhaltene eiserne Hängebrücke Kontinentaleuropas
Authors: Petri Rudolf , Kreutz Johannes‐Stefan
Published: July 2004

Ketten und Hänger des 1824 von Johann Georg Kuppler erbauten Kettenstegs sind bis heute erhalten, wegen einer 1931 errichteten Unterstützungskonstruktion jedoch ohne Tragfunktion. Nach einem Vergleich mit anderen frühen Hängebrücken wird über die Baugeschichte, Umbauten und Vorarbeiten zur Wiederherstellung der Hängebrücke berichtet.
Fußgängerbrücke mit Aussichtsplattform in der neuen Flußlandschaft an der Rodach
Authors: Neuner Florian , Hemmerlein Hans
Published: July 2004

In der neu geschaffenen Flußlandschaft an der Rodach (Franken) wurde ein Bauwerk erstellt, das in wohl einzigartiger Weise die Funktionen einer Brücke und eines Aussichtsturmes in sich vereint. Der Aufsatz erläutert den Entwurf, die Ausarbeitung und die Errichtung der mit knappsten Geldmitteln errichteten Konstruktion.
Neubau eines Produktionsgebäudes für die Automobilindustrie als Rahmenkonstruktion in brandsicherer Verbundbauweise
Authors: Köppl Johann
Published: July 2004

Die BMW Group plante im Jahre 2000 im Werk Dingolfing die Erweiterung der bestehenden Lackiererei durch eine neue zweigeschossige Halle, in der die chemische Vorbehandlung der Rohkarossen erfolgen sollte. Aufgrund der geringen Abstände zu benachbarten Produktionsbereichen und weiterer erschwerender Bedingungen mußte das Tragwerk als Stahlverbundrahmenkonstruktion in F90‐Bauweise errichtet werden. Der Beitrag gibt einen Einblick in die Vorgehensweise bei der Planung und Errichtung des Gebäudes.
Traglastberechnung unterspannter Träger
Authors: Springer Othmar , Büchl Florian
Published: July 2004

Das räumliche Stabilitätsversagen eines unterspannten Trägers wird in der Praxis meist auf ein ebenes Ersatzsystem reduziert. In der vorliegenden Untersuchung wird hingegen die Systemtraglast geometrisch nichtlinear nach Theorie II. Ordnung am räumlichen Gesamtsystem berechnet. Die Ergebnisse beider Verfahren werden verglichen. Ferner wird anhand beispielhafter Parameterstudien die Empfindlichkeit derartiger Systeme hinsichtlich einer Veränderung der für die Systemtraglast wesentlichen Einflußgrößen untersucht.
Zur Bemessung von Knotenblechen in Stahlfachwerkkonstruktionen
Authors: Hertle Robert
Published: July 2004

Im allgemeinen wird der Bemessung von Knotenblechen in Stahlfachwerkkonstruktionen wenig Aufmerksamkeit gewidmet. Ursächlich hierfür ist die Tatsache, daß die zutreffende Erfassung des Beanspruchungszustands dieser Bauteile mit einem erheblichen Aufwand verbunden ist. Auf der Grundlage stabstatischer Überlegungen wird ein Näherungsverfahren zur Ermittlung der Beanspruchungen von kontinuierlichen und geschlitzten Knotenblechen unter vorwiegend ruhenden Lasten entwickelt. Die systematische Auswertung der hieraus ableitbaren Beziehungen für die inneren Schnittgrößen des Knotenblechs erlaubt es, einfach zu handhabende Bemessungsdiagramme für die bemessungskritischen Schnitte von Knotenblechen zu entwickeln.
Vergleichende Betrachtung in der Entwicklung der Beulnachweise in den deutschen Normen
Authors: Ndogmo Joseph
Published: July 2004

Der Eurocode 3 steht kurz vor der bauaufsichtlichen Einführung in den beteiligten Ländern, so auch in Deutschland. Der Teil 1.5 behandelt die Beulnachweise von ebenen Blechfeldern ohne Querbelastung mit völlig neuen Nachweisformaten.

In diesem Beitrag werden im Zuge einer vergleichenden Betrachtung in der Entwicklung der Beulnachweise in den früheren deutschen Normen die Unterschiede zwischen der noch gültigen DIN 18800 Teil 3 und Eurocode 3 Teil 1.5 bzw. DIN ‐Fachbericht 103 KapitelIII herausgearbeitet. An einem Beispiel einer realen Brücke werden diese Unterschiede mit Zahlen belegt.
Möglichkeiten der Bemessung von Bauteilen aus Glas
Authors: Siebert Geralt
Published: July 2004

Bauteile aus Glas haben einen festen Platz im aktuellen Baugeschehen eingenommen. Für die Möglichkeiten des Nachweises der Verwendbarkeit solcher Bauteile sind zum einen die baurechtlichen Randbedingungen und Hintergründe zu beachten. Zum anderen ist die Kenntnis der aktuellen Bemessungsregeln sowie alternativer Nachweismethoden unabdingbar. In diesem Beitrag wird kurz auf die einzelnen, in der Vergangenheit und derzeit aktuell anwendbaren Möglichkeiten der Nachweise von Bauelementen aus Glas eingegangen. Abschließend erfolgt ein Ausblick auf zukünftig zu erwartende Regelungen im Zuge der Umstellung auf das Konzept der Teil sicherheitsbeiwerte.
Besonderheiten von Durchlaufverbundträgern mit Stegöffnungen
Authors: Zhou Donghua
Published: July 2004

Die Ergebnisse einer nichtlinearen FE‐Berechnung eines Durchlaufverbundträgers mit Stegöffnung werden vorgestellt. Dabei zeigen sich beim Tragverhalten einige Besonderheiten, die man bei der Bemessung solcher Träger beachten sollte.
Mechanical characteristics of the bone–graft–cement interface after impaction allografting
Authors: Frei Hanspeter , Mitchell Philip , Masri Bassam A. , Duncan Clive P. , Oxland Thomas R.
Published: July 2004

Impaction allografting is an attractive procedure for the treatment of failed total hip replacements. The graft–cement–host bone interface after impaction allografting has not been characterized, although it is a potential site of subsidence for this type of revision total hip reconstruction. In six human cadaveric femurs, the cancellous bone was removed proximally and local diaphyseal lytic defects were simulated. After the impaction grafting procedure, the specimens were sectioned in 6 mm transverse sections and pushout tests were performed. From the adjacent sections the percentage cement contact of the PMMA cement with the endosteal bone surface was determined. The host bone interface mechanical properties varied significantly along the femur largely due to different interface morphologies. The apparent host bone interface shear strength was highest around the lesser trochanter and lowest around the tip of the stem. A significant positive correlation was found between the percentage cement contact and the apparent host bone interface shear strength (r2 = 0.52). The sections failed in 69% of the cases through a pure host bone interface failure without cement or allograft failure, 19% failed with local cement failure, and 12% with a local allograft failure. The apparent host bone interface strength was on average 89% lower than values reported for primary total hip replacements and were similar to cemented revisions proximally and lower distally. This study showed that cement penetration to the endosteal surface enhanced the host bone–graft interface. © 2004 Orthopaedic Research Society. Published by Elsevier Ltd. All rights reserved.