bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4−,Nb5−)
Authors: Majumdar D. , Balasubramanian K.
Published: August 2004

Geometries and energy separations of the various low-lying electronic states of Nbn and Nbn− (n=4,5) clusters with various structural arrangements have been investigated. The complete active space multiconfiguration self-consistent field method followed by multireference singles and doubles configuration interaction (MRSDCI) calculations that included up to 52×106 configuration spin functions have been used to compute several electronic states of these clusters. The ground states of both Nb4 (1A′, pyramidal) and Nb4− (2B3g, rhombus) are low-spin states at the MRSDCI level. The ground state of Nb5 cluster is a doublet with a distorted trigonal bipyramid (DTB) structure. The anionic cluster of Nb5 has two competitive ground states with singlet and triplet multiplicities (DTB). The low-lying electronic states of these clusters have been found to be distorted due to Jahn-Teller effect. On the basis of the energy separations of our computed electronic states of Nb4 and Nb5, we have assigned the observed photoelectron spectrum of Nbn− (n=4,5) clusters. We have also compared our MRSDCI results with density functional calculations. The electron affinity, ionization potential, dissociation and atomization energies of Nb4 and Nb5 have been calculated and the results have been found to be in excellent agreement with the experiment.
Double proton transfer in the isolated and DNA-embedded guanine-cytosine base pair
Authors: Zoete Vincent , Meuwly Markus
Published: August 2004

The energetics and dynamics of double proton transfer (DPT) is investigated theoretically for the Watson-Crick conformation of the guanine-cytosine (GC) base pair. Using semiempirical density functional theory the isolated and DNA-embedded GC pair is considered. Differences in the energetics and dynamics of DPT thus addresses the question of how relevant studies of isolated base pairs are for the understanding of processes occurring in DNA. Two-dimensional potential energy surfaces involving the transferring hydrogen atoms and the proton donors and acceptors are presented for both systems. The DPT reaction is accompanied by a contraction of the distance between the two bases with virtually identical energetic barriers being 18.8 and 18.7 kcal/mol for the isolated and DNA-embedded system, respectively. However, the transition state for DPT in the DNA-embedded GC pair is offset by 0.1 Å to larger N-H separation compared to the isolated GC pair. Using activated ab initio molecular dynamics, DPT is readily observed for the isolated base pair with a minimal amount of 21.4 kcal/mol of initial average kinetic energy along the DPT normal mode vector. On a time scale of ≈100 fs DPT has occurred and the excess energy is redistributed. For the DNA-embedded GC pair considerably more kinetic energy is required (30.0 kcal/mol) for DPT and the process is completed within one hydrogen vibration. The relevance of studies of isolated base pairs and base pair analogs in regard of reactions or properties involving DNA is discussed.
Multipole-bound states of succinonitrile and other dicarbonitriles
Authors: Sommerfeld Thomas
Published: August 2004

Very recently two anionic states of succinonitrile have been observed, and these two states have been interpreted as a dipole-bound state of the gauche and a quadrupole-bound state of the anti conformer. Here we study the electron binding properties of succinonitrile using high-level ab initio methods. While the dipole-bound state can be investigated using well established approaches, studying the quadrupole-bound state is more challenging owing to the multiconfiguration character of its wave function. The standard methods typically applied to dipole-bound anions fail, and we employ direct electron propagator based and equation-of-motion coupled-cluster methods. Since there is no experience with this type of quadrupole-bound state, various basis set related and methodological aspects are examined in detail. According to our results the quadrupole moment as such plays only a minor role in binding the extra electron, whereas electron correlation effects are decisive. Our best fixed-nuclei electron binding energy is 11 meV. In view of the small binding energy the influence of the nuclear motion on the electron binding properties is examined, in particular, the torsional motion around the central carbon-carbon bond, since it is a very soft mode and the dipole and quadrupole moment depend strongly on it. Our results provide a firm basis to interpret the experimental findings and support the experimental assignments. Moreover, we discuss molecules that possess only a quadrupole-bound state, and preliminary results for dicarbonitriles of bicyclopentane and cubane are presented.
A quantum chemical approach to the free energy calculations in condensed systems: The QM/MM method combined with the theory of energy representation
Authors: Takahashi Hideaki , Matubayasi Nobuyuki , Nakahara Masaru , Nitta Tomoshige
Published: August 2004

A methodology has been proposed to compute the solvation free energy of a molecule described quantum chemically by means of quantum mechanical/molecular mechanical method combined with the theory of energy representation (QM/MM-ER). The present approximate approach is quite simple to implement and requires much less computational cost as compared with the free energy perturbation or thermodynamic integration. Furthermore, the electron distribution can be treated faithfully as a quantum chemical object, and it is no longer needed to employ the artificial interaction site model, a reduced form of the realistic electron distribution, which is commonly used in the conventional solution theory. The point of the present approach is to employ the QM solute with electron density fixed at its average distribution in order to make the solute-solvent interaction pairwise. Then, the solvation free energy can be computed within the standard framework of the energy representation. The remaining minor contribution originating from the many-body effect inherent in the quantum mechanical description can be evaluated separately within a similar framework if necessary. As a test calculation, the method has been applied to a QM water solute solvated by MM water solvent in ambient and supercritical states. The results of the QM/MM-ER simulations have been in excellent agreement with the experimental values.
Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes
Authors: Ramı́rez Rafael , López-Ciudad Telesforo , Kumar P Padma , Marx Dominik
Published: August 2004

Several simple quantum correction factors for classical line shapes, connecting dipole autocorrelation functions to infrared spectra, are compared to exact quantum data in both the frequency and time domain. In addition, the performance of the centroid molecular dynamics approach to line shapes and time-correlation functions is compared to that of these a posteriori correction schemes. The focus is on a tunable model that is able to describe typical hydrogen bonding scenarios covering continuously phenomena from tunneling via low-barrier hydrogen bonds to centered hydrogen bonds with an emphasis on floppy modes and anharmonicities. For these classes of problems, the so-called “harmonic approximation” is found to perform best in most cases, being, however, outperformed by explicit centroid molecular dynamics calculations. In addition, a theoretical analysis of quantum correction factors is carried out within the framework of the fluctuation-dissipation theorem. It can be shown that the harmonic approximation not only restores the detailed balance condition like all other correction factors, but that it is the only one that also satisfies the fluctuation-dissipation theorem. Based on this analysis, it is proposed that quantum corrections of response functions in general should be based on the underlying Kubo-transformed correlation functions.
A vibronic approach to the band-filling and temperature-dependent metal-insulator transition
Authors: Robert Vincent
Published: August 2004

A model of vibronic origin is used to investigate the important issue of metal-insulator transition in low-dimensional materials. For zero temperature, the stability of the single-band model chain is controlled by the competition between the internal electron-phonon coupling and the nearest-neighbor hopping integral. Assuming one particular deformation mode, one can analytically derive an instability criterion in which the band filling is explicitly included. The carrier doping directly controls the stability of a one-dimensional chain. For a half-filled band, the Peierls instability is recovered. For finite temperatures, a similar criterion is derived and can be used to investigate the metal-insulator transition temperatures.
A model for the phase stability of arbitrary nanoparticles as a function of size and shape
Authors: Barnard A. S. , Zapol P.
Published: August 2004

A thermodynamic model describing relative stability of different shapes for nanoparticles as a function of their size was developed for arbitrary crystalline solids and applied to group IV semiconductors. The model makes use of various surface, edge and corner energies, and takes into account surface tension. Approximations and importance of each term of the model were analyzed. The predictions for clean and hydrogenated diamond nanoparticles are compared to explicitly calculated density functional results. It is shown that diamond nanocrystal morphology is markedly different from silicon and germanium.
Field theoretical approach to electrochemical deposition
Authors: Taroco H. A. , Mota A. L.
Published: August 2004

In this work we present an application of the λφ4 field theoretical model to the adsorption of atoms and molecules on metallic surfaces—the electrochemical deposition. The usual approach to this system consists in the computational simulation using Monte Carlo techniques of an effective lattice-gas Hamiltonian. We construct an effective model towards a comparison between the lattice-gas Hamiltonian and the discrete version of the λφ4 Hamiltonian, obtaining the relationships between the model parameters and electrochemical quantities. The λφ4 model is studied in the mean field approximation, and the results are fitted and compared to numerical simulated and experimental data.
An ab initio potential energy surface and vibrational states of MgH2(1 1A′)
Authors: Li Hui , Xie Daiqian , Guo Hua
Published: August 2004

A three-dimensional global potential energy surface for the ground electronic state of MgH2 is constructed from more than 3000 ab initio points calculated using the internally contracted multireference configuration interaction method with the Davidson correction at the complete basis set limit. Low-lying vibrational energy levels of MgH2 and MgD2 are calculated using the Lanczos algorithm, and found to be in good agreement with known experimental band origins. The majority of the vibrational energy levels up to 8000 cm−1 are assigned with normal mode quantum numbers. However, our results indicate a gradual transition from a normal mode regime for the stretching vibrations at low energies to a local mode regime near 7400 cm−1, as evidenced by a decreasing energy gap between the (n1,0,0) and (n1−1,0,1) vibrational states and bifurcation of the corresponding wave functions.
Evidence from first principles calculations for a bent CO2 intermediate in the oxidation of carbon monoxide on the Cu (110) surface
Authors: Liem S. Y. , Clarke J. H. R.
Published: August 2004

We have carried out first principles plane wave density-functional theory calculations to study the adsorption of CO molecule on a clean and unreconstructed Cu (110) surface at 1/12 monolayer coverage and have investigated the subsequent oxidation by preadsorbed oxygen atoms. As found experimentally, the CO adsorbs perpendicular to the surface plane through the carbon atom; the top site was found to be the most favorable position for CO adsorption although the short-bridge site is only slightly less stable. Surprisingly, for a sparely oxidized surface with O atoms adsorbed in hollow sites the coadsorption energy is slightly negative for only the above two CO sites which have therefore been used as starting points to explore the energy surface of the oxidation reaction. We have confirmed the existence of bent CO2 surface intermediate as previously suggested from experimental studies. Using the nudged elastic band method, we have characterized a two step reaction which involves the formation of this intermediate. The results suggest that the rate determining step of the oxidation reaction is the formation of the intermediate and the energy barrier (200 meV) is close to although smaller than experimentally estimated values.
Lattice-gas modeling of CO adlayers on Pd(100)
Authors: Liu Da-Jiang
Published: August 2004

Using a lattice-gas model with pairwise interactions, we study the ordered structures, coverage dependence of the heat of adsorption, and other experimentally observable behavior of adsorbed CO overlayers on Pd(100) single crystal surfaces. Transfer matrix and Monte Carlo methods give accurate information regarding the lattice-gas model that often contradicts simple mean-field-like analysis. We demonstrate the usefulness of the model by reproducing experimental results over a large range of pressures and temperatures.
Capillary bridging and long-range attractive forces in a mean-field approach
Authors: Andrienko D. , Patrı́cio P. , Vinogradova O. I.
Published: August 2004

When a mixture is confined, one of the phases can condense out. This condensate, which is otherwise metastable in the bulk, is stabilized by the presence of surfaces. In a sphere-plane geometry, routinely used in atomic force microscope and surface force apparatus, it can form a bridge connecting the surfaces. The pressure drop in the bridge gives rise to additional long-range attractive forces between them. By minimizing the free energy of a binary mixture we obtain the force-distance curves as well as the structural phase diagram of the configuration with the bridge. Numerical results predict a discontinuous transition between the states with and without the bridge and linear force-distance curves with hysteresis. We also show that similar phenomenon can be observed in a number of different systems, e.g., liquid crystals and polymer mixtures.
Na-montmorillonite hydrates under ethane rich reservoirs: NPzzT and μPzzT simulations
Authors: Odriozola G. , Aguilar J. F. , López-Lemus J.
Published: August 2004

Na-montmorillonite hydrates in presence of ethane molecules are studied by means of hybrid Monte Carlo simulations in the NPzzT and μPzzT ensembles. The NPzzT ensemble allows us to study the interlaminar distance as a function of water and ethane content. These data show clear plateaus for lower ethane contents and mainly for water contents consistent with the formation of a single water layer. In addition, from this ensemble the structure for some of these interlaminar compositions were analyzed. For systems containing few ethane molecules and water enough to complete a single layer, it was observed that ethane mainly situates close to the interlayer midplane and adopts a nearly parallel arrangement to the clay surface. On the other hand, the μPzzT ensemble allows us to determine the interlaminar distance and water-ethane content for any specific reservoir. Here, some important findings are the following: the partial exchange of water by ethane molecules that enhances for decreasing the water vapor pressure; the obtention of a practically constant interlaminar space distance as a function of the water vapor pressure; the conservation of ion solvation shells; the enhancement of the water-ethane exchange for burial conditions; and finally, the incapability for a dehydrated clay mineral to swell in a dry and rich ethane atmosphere.
New recurrence relations for the rapid evaluation of electron repulsion integrals based on the accompanying coordinate expansion formula
Authors: Kobayashi Masato , Nakai Hiromi
Published: August 2004

We present an algorithm for the rapid computation of electron repulsion integrals (ERIs) over Gaussian basis functions based on the accompanying coordinate expansion (ACE) formula. The present algorithm uses equations termed angular momentum reduced expressions and introduces two types of recurrence relations to ACE formulas. Numerical efficiencies are assessed for (p p|p p) and (sp sp|sp sp) ERIs by using the floating-point operation count. The algorithm is suitable for calculating ERIs for the same exponents but different angular momentum functions, such as L shells and derivatives of ERIs. The present algorithm is also capable of calculating ERIs with highly contracted Gaussian basis functions.
Parallel changes between the percentage of fetal pituitary cells immunoreactive to oestrogen receptor α and the concentration of 17β-oestradiol in fetal and maternal plasma during gestation in sheep
Authors: Cui Sheng , Liu Jia li , Shao Yu jing , Zhang Jian Chao
Published: August 2004

The present study was designed to investigate the relationship between fetal sheep pituitary oestrogen receptor (ER) α expression and changes in fetal and maternal plasma 17β-oestradiol (E2) concentrations during gestation. The results revealed that immunoreactivity for ERα was located in the nuclei and distributed throughout the fetal pituitary gland during gestation. The percentage of ERα-positive cells was approximately 2% of the total cell population in female fetuses at Day 60 of gestation, increased to approximately 7% and 13% of the total cell population at Days 90 and 120 of gestation, respectively, and then declined to approximately 10% at birth. The fetal plasma E2 concentrations were approximately 19 and 71 pg mL−1 at Days 90 and 120 of gestation, respectively, and decreased to 22 pg mL−1 after birth. In male fetuses, plasma E2 concentrations and the percentage of ERα-positive cells were similar to values in female fetuses throughout gestation, except on Day 120 when the plasma E2 level in female fetuses was significantly higher than in male fetuses. These data demonstrate that changes in the percentage of fetal pituitary ERα-positive cells parallel fetal plasma E2 concentrations throughout gestation.
Comparison of glucose metabolism in in vivo- and in vitro-matured tammar wallaby oocytes and its relationship to developmental potential following intracytoplasmic sperm injection
Authors: Magarey Genevieve M. , Mate Karen E.
Published: August 2004

Although marsupial oocytes undergo nuclear maturation in vitro, there is, at present, no indication of their developmental potential, largely owing to the lack of in vitro fertilisation and related technologies for marsupials. Glucose metabolism has proven a useful indicator of oocyte cytoplasmic maturation and developmental potential in several eutherian species. Therefore, the aims of the present study were to compare: (1) the rates of glycolysis and glucose oxidation in immature, in vitro-matured and in vivo-matured tammar wallaby oocytes; and (2) the metabolic rate of individual oocytes with their ability to form pronuclei after intracytoplasmic sperm injection. The rates of glycolysis measured in immature (2.18 pmol oocyte–1 h–1), in vitro-matured (0.93 pmol oocyte–1 h–1) and in vivo-matured tammar wallaby oocytes (0.54 pmol oocyte–1 h–1) were within a similar range to values obtained in eutherian species. However, unlike the trend observed in eutherian oocytes, the glycolytic rate was significantly higher in immature oocytes compared with either in vivo- or in vitro-matured oocytes (P < 0.001) and significantly higher in in vitro-matured oocytes compared with in vivo-matured oocytes (P < 0.001). No relationship was identified between glucose metabolism and the developmental capacity of oocytes after intracytoplasmic sperm injection when assessed after 17–19 h. Oocytes that became fertilised (two pronuclei) or activated (one or more pronucleus) were not distinguished from others by their metabolic rates. Longer culture after intracytoplasmic sperm injection (e.g. blastocyst stage) may show oocyte glucose metabolism to be predictive of developmental potential; however, culture to the single-cell stage did not reveal any significant differences in normally developing embryos.
Dietary protein intake during the oestrous cycle does not alter the ovulation rate in gilts
Authors: Mejia-Guadarrama César A. , Prunier Armelle , Quesnel Hélène
Published: August 2004

The effect of protein intake on ovulation rate was investigated in cross-bred gilts. On Day 14 of the third oestrous cycle, luteolysis was induced by injection of an analogue of prostaglandin F2α. The ovulation rate was recorded when gilts were killed on Day 27. In the first experiment, nutritional treatment was applied from Day 14 to Day 27. Gilts were fed diets providing the same amount of digestible energy, but containing either a low, medium or high amount of dietary protein. Protein restriction linearly decreased plasma concentrations of urea (P < 0.001) and had no effect on plasma concentrations of insulin-like growth factor-I and leptin measured at Day 27 (P > 0.1). Protein restriction did not influence ovulation rate (mean (± s.e.m.) 17.0 ± 0.4; P > 0.1). In the second experiment, the nutritional treatment was applied from Day 5 until Day 27. Gilts received the same amount of digestible energy and either a low or a high amount of protein, as in Experiment 1. A third group of gilts received the high amount of protein and also more digestible energy. The ovulation rate did not differ between the three groups of gilts. These data indicate no effect of short-term dietary protein restriction on ovulation rate in cyclic gilts.
Oxytocin in cardiac ontogeny
Authors: Jankowski Marek , Danalache Bogdan , Wang Donghao , Bhat Pangala , Hajjar Fadi , Marcinkiewicz Mieczyslaw , Paquin Joanne , McCann Samuel M. , Gutkowska Jolanta
Published: August 2004

Previous studies demonstrated the presence of oxytocin (OT) and oxytocin receptors (OTRs) in the heart. The present work provides results supporting a potential role of OT in cardiomyogenesis. Here, we show a maximal OT and OTR protein level in the developing rat heart at day 21 of gestation and postnatal days 1-4, when cardiac myocytes are at a stage of intense hyperplasia. Between postnatal days 1 and 66, OT decreased linearly in all heart chambers (4.1- to 6.6-fold). Correspondingly, immunocytochemistry demonstrated that OTRs, which were eminent in postnatal cardiomyocytes, declined with age to low levels in adults. Interestingly, in coronary vasculature, OTRs developed in endothelial cells at postnatal days 12 and 22 and achieved a plateau in adult rats. These findings suggest that OT can be involved in developmental formation of the coronary vessels.
In vivo
, the OT/OTR system in the fetal heart was sensitive to the actions of retinoic acid (RA), recognized as a major cardiac morphogen. RA treatment produced a significant increase (2- to 3-fold) both in the OT concentration and in the OT mRNA levels.
Ex vivo
, an OT antagonist inhibited RA-mediated cardiomyocyte differentiation of P19 embryonic stem cells. The decline of cardiac OT expression from infancy to adulthood of the rat and changes in cell types expressing OTR indicate a dynamic regulation of the OT system in the heart rather than constitutive expression. The results support the hypothesis that RA induces cardiomyogenesis by activation of the cardiac OT system.
Decreased neointimal formation in Nox2-deficient mice reveals a direct role for NADPH oxidase in the response to arterial injury
Authors: Chen Zhiping , Keaney John F. , Schulz Eberhard , Levison Bruce , Shan Lian , Sakuma Masashi , Zhang Xiaobin , Shi Can , Hazen Stanley L. , Simon Daniel I.
Published: August 2004

Reactive oxygen species (ROS) and reactive nitrogen species (RNS) are produced, in part, from NADPH oxidase in response to host invasion and tissue injury. Defects in NADPH oxidase impair host defense; however, the role of ROS and RNS in the response to tissue injury is not known. We addressed this issue by subjecting leukocyte oxidase (Nox2)-deficient (Nox2
-/-
) mice to arterial injury. Femoral artery injury was associated with increased Nox2 expression, ROS/RNS production, and oxidative protein and lipid modification in wild-type mice. In Nox2
-/-
mice, RNS-mediated protein oxidation, as monitored by protein nitrotyrosine content, was significantly diminished. This was accompanied by reduced neointimal proliferation, as monitored by intimal thickness and intimal/medial ratio, in Nox2
-/-
compared to wild-type mice. In addition, Nox2 deficiency led to reduced cellular proliferation and leukocyte accumulation. These data indicate that Nox2-mediated oxidant production has a requisite role in the response to tissue injury.
Current situation and future development of CALIS
Authors: Yao XiaoXia , Chen Ling , Dai LongJi
Published: August 2004

China Academic Library and Information System (CALIS), funded primarily by the Chinese Government, is a nationwide academic library consortium in China. As one of the two public service systems in “Project 211”, in China's ninth five‐year plan, CALIS plays a multiple resource‐sharing role among the participating libraries. During past five years, CALIS has established a three‐tiered coordination and management network comprising national information centers, regional information centers and member libraries. In addition, a number of resources have been developed or imported which have made considerable improvements to the service to Chinese higher education and also accelerated the growth of CALIS. The target for CALIS is to build the China Academic Digital Library within the next five years. Currently, CALIS is doing research on the strategies and development of digital library systems, with cooperation and coordination from member libraries. With the development of “digital service environment”, “public service platform”, “imported and self‐built resources”, “service network”, etc. the digital library and information system will be established. The extension of digital library consortium resources and services will thus operate in a digital, networked environment. This paper provides information about the background, initiatives and the strategic plan of CALIS, illustrating how it operates and what it provides.
On the cat‐walk: WIT libraries learning support model
Authors: Hegarty Nora , Quinlan Neil , Hurley Tina , Lynch Ted
Published: August 2004

The need for learning support programmes in academic libraries is discussed. The development and progress of WIT Libraries programme, from its origin in 1996 to its present day initiatives, is documented. The service began on a small scale in a small library building in 1996. Today, seven years and a new library building later, the service is going from strength to strength. Advances have been made in line with learner needs and expectations and according to the goals of the Library Strategic Plan. The programme currently consists of a number of modules, including a specific programme for first years, one for second to final years and tailored research sessions for postgraduates and staff. Furthermore, it incorporates a combination of modes of delivery. Face‐face training is complemented by an evolved online element.
Content in institutional repositories: a collection management issue
Authors: Genoni Paul
Published: August 2004

Many libraries are facing the challenges to develop and manage an institutional repository. This paper addresses the issue of content in repositories, and suggests that librarians need to approach the task of content development by applying some of the procedures and skills associated with collection management within more traditional environments. It also considers the types of content that might be suitable for institutional repositories, and notes that several recent Australian reports have recommended the need for a more standardised and regulated approach to the content of institutional repositories. It is argued that this is inappropriate.
Managing fee‐based public library services: values and practices
Authors: Gustav Johannsen Carl
Published: August 2004

This article reports the results on a particular management issue of a recent Danish qualitative interview survey on experiences with fee‐based public library services. It also includes a systematic comparison between underlying values, revealed through the survey, and the results of a recent large scale survey of Danish public sector values. The article outlines the evolution of the library charging discourse and investigates to what extent and how values associated with fee‐based services differ and resemble the general public sector values. In particular, it will be examined to what extent fee‐based services facilitate the penetration of New Public Management oriented values into public libraries. Finally, management practices concerning fee‐based services are considered, focusing, in particular, on possible discrepancies between expressed values and actual practice.
Management musings 18: organisations as families, happy or otherwise
Authors: Line Maurice B.
Published: August 2004

Ponders whether more bosses should treat their staff as they would their family members. Many bosses treat their workforce in much the same way as buildings or equipment – to be maintained in working order, but not worth much attention otherwise. Considers that bosses should be more human at work, this being the key essential of good management.
The birth of the individualised team
Authors: Oudhuis Margareta
Published: August 2004

The Volvo Bus Plant at Borås, Sweden, is one of the largest bus‐chassis assembly plants in the world. Some years ago a new organization model, FLiSa, was implemented as an attempt to construct well‐functioning teams consisting of multi‐functional individuals, eager to learn, be flexible and to take on more responsibilities. Moreover, the FLiSa‐model with its line‐organization, was expected to bring about higher levels of productivity and quality. However, by the end of 2003 it is evident that the FLiSa‐model is facing serious problems as regards expected results. What factors contributed to this outcome? In this paper the author argues that imbalances or different competitive socio‐technical aspects inherent in the FLiSa‐model have been decisive. Moreover, the author suggests that difficulties to find productive solutions to these imbalances have – as an unintended consequence – brought about what she defines as “the individualised team”.
Reconstructing the history of the main Volvo Tuve plant
Authors: Engström Tomas , Blomquist Bo , Holmström Ove
Published: August 2004

This paper reports on the history of the main Volvo Tuve truck plant in Gothenburg from its beginnings in 1981 until 2002. It focuses on the assembly work involved in the completion of truck chassis carried out by blue‐collar employees. Extensive (physical) alterations during this period have been important for understanding the plants' present design. The various designs of the assembly system, in combination with alterations and changes, have radically reformed the blue‐collar employee's work in a way that, in most respects, had not been intended. The ambitious guidelines, design assumptions and praxis of the early plant design which promoted collective dimensions of work have shifted to ones in which assembly work can be seen more as a set of individualised tasks. Moreover, the plant, which in earlier times had been small‐scale and utilised a heterogeneous assembly systems design, now has been transformed into a large‐scale plant with a homogenous assembly systems design. That is, to be more specific, two rather short assembly lines with intermediate buffers (1980s assembly systems design) were turned into the use of extended assembly lines without intermediate buffers (1990s assembly systems designs). The latter assembly systems were earlier working in coexistence with so‐called assembly docks (small work groups completed their own truck chassis). Lastly, these heterogeneous assembly systems designs were recently changed by further extension of the two main product flows and the assembly docks were closed down (2000s assembly system design). We argue that the choice of assembly systems designs was, and maybe still is, an ad hoc process and not a truly rational process. The history of the Volvo Tuve plant history illuminates how one specific plant can illustrate an uneven line of development with regard to assembly system design, within an organisation which successively has turned more international by an ongoing process of creating one single, larger scale, assembly system design. Thereby leaving behind the characteristics which were once a trademark of the Swedish automotive industry.
Women managers: does positive action training make a difference?
Authors: Anderson Viv
Published: August 2004

Despite long‐standing legislation within the UK, women are still generally under‐represented at managerial level within organisations. One method of making a difference to this situation is the provision of positive action training and this paper summarises the arguments for and against positive action. Also describes a case study of a positive action training initiative for women managers in local government and assesses its potential effectiveness as a means of breaking through the “glass ceiling”. It explains how the training programme is structured and delivered and draws on relevant aspects of the findings of a research study undertaken to explore the opinions of the women students. Particular attention is given to their experience of the glass ceiling, opinions on perceived barriers to progression and on whether or not the programme has acted as a change agent. Some considerations for good practice are offered in conclusion.
Arts‐based training in management development: the use of improvisational theatre
Authors: Gibb Stephen
Published: August 2004

This paper describes and critically evaluates the use of Arts‐Based Training (ABT) by exploring a case involving the use of improvisational theatre techniques as an element of management development. Claims that these techniques can be an effective means of achieving management development, as they succeed in involving managers in exploring problems and developing solutions to them at a deep rather than superficial level, while also motivating managers to “sort out” problems following development experiences, are investigated using a case study. The validity of improvisational theatre techniques, as an example of ABT in practice, needs to be balanced with a more critical appreciation of the limitations of such approaches.
The role of strategic planning in the performance of small, professional service firms
Authors: French Steven J. , Kelly Stephen J. , Harrison Jennifer L.
Published: August 2004

Using a sample of small, regional professional service firms, this paper investigates relationships between firm performance and aspects of strategic planning. Constructs measuring vision, mission, latent abilities, competitor orientation and market orientation are identified using exploratory factor analysis and respondents categorised as non‐planners, informal planners, formal planners and sophisticated planners. Multiple performance measures were used to assess the relationship between these factors and categories and firm performance. While no significant relationship between the performance measures and factors is identified, a significant relationship between net profit and informal planning emerges. These mixed results bring into question the value of the classical strategic planning process as a means of achieving a sustainable competitive advantage in the market analysed.
Customer perceptions of the value delivered by retail banks in South Africa
Authors: Bick Geoffrey , Beric Brown Andrew , Abratt Russell
Published: August 2004

This paper examines the perception and expectations of banking customers regarding the value being delivered to them by retail banks in South Africa. A literature review dealing with the concept of value was undertaken that presents the value disciplines of operational excellence, product leadership and customer intimacy. Results of a study of 150 managers are presented. The results show that customers were not satisfied with the service, products and level of customer intimacy delivered to them by their banks. Thus, they did not believe that they were getting the value they expected. Recommendations to retail banking management are made to help remedy the situation.
Integration of FMEA and the Kano model
Authors: Shahin Arash
Published: August 2004

In almost all of the existing resources of failure mode and effect analysis (FMEA), “severity” is being determined from the designers’ point of view, not from the customers’ side. In this paper, a new approach is proposed to enhance FMEA capabilities through its integration with Kano model. This evolves the current approaches for determination of severity and “risk priority number” (RPN) through classifying severities according to customers’ perceptions. It supports the nonlinear relationship between frequency and severity of failure. Also a new index called “correction ratio” (Cr) is proposed to assess the corrective actions in FMEA. The findings of a short case study highlight the gap between managers and customers in prioritising a set of failures and the difference between RPN and Cr prioritisations, caused by target failure frequencies. The proposed approach enables managers/designers to prevent failures at early stages of design, based on customers who have not experienced their products/services yet.
Conflict or congruence?
Authors: Jørn Juhl Hans , Eskildsen Jacob , Kristensen Kai
Published: August 2004

In 2000, a survey was conducted at a Danish hospital with the overall purpose to evaluate the hospital on all the criteria of the excellence model. Leaders and employees were asked to answer 56 questions formulated to cover all nine criteria and based on EFQM's self‐asssessment material. A comparison will be made between these leader scores and the employee scores with the purpose to measure to what degree leaders and employees agree about the state of the hospital. A new congruence measure will be developed and, together with average performance scores, the congruence score will provide input to identify and prioritise improvement initiatives.
Optimal inspection frequency
Authors: Mathew Subhash
Published: August 2004

Maintenance management is expected to plan for all maintenance activities for the life of the equipment. It must be able to forecast and plan the future maintenance requirements of spares, man‐hours and total costs. As equipment ages and enters the wear‐out stage, with increasing failure rates, this forecasting becomes difficult. Maintenance management is faced with the dilemma of either resorting to high inventories, over‐planning and inflated budgets or of suffering stockouts, lengthy delays in repair and budget blowouts. A model for an optimal inspection frequency can help correct this. For an inspection frequency to be optimal, it must exactly match the failure rate of the equipment. Hence, with the use of a cost rate factor, the optimal inspection frequency can also be used as a tool for planning and forecasting maintenance costs. This paper develops an optimal model, ensuring that the inspection frequency is capable of matching the varying failure rates throughout the life of the equipment. It also demonstrates how this optimal inspection frequency can then be used to plan and forecast maintenance costs.
Audit expectation gap
Authors: Nazri Fadzly Mohamed , Ahmad Zauwiyah
Published: August 2004

Based on the studies by Schelluch and Best et al., this study aims to investigate the existence of an audit expectation gap in Malaysia. The main motivation comes from the lack of research on the issue since the Enron and Andersen debacles. Besides, the Malaysian accounting environment has significantly improved since the 1998s reform, with the passing of the Financial Reporting Act and the establishment of the Malaysian Accounting Standards Board. The results indicate wide expectation gaps and misconceptions about audit in Malaysia. An experiment conducted among investors revealed the effectiveness of the use of reading material to educate users and correcting some misconceptions.
Environmental management and auditing systems
Authors: Watson Michael , Emery Anthony R.T.
Published: August 2004

This paper surveys the evidence that environmental auditing systems (EMSs), and the standard setting bodies represented by ISO 14001 and EMAS, have failed to meet their objectives on two counts. First, the standards will not lead to sustainability and second, they will not be any more economically efficient than the command and control approach. We begin by offering an historical overview of environmental standards and argue that the original intentions to link the environmental management standards with sustainability was abandoned during discussions. The opposing viewpoints about ISO 14001 and EMAS as market driven standards are discussed and then the degree of market penetration of the standards is examined. The costs of implementing an EMS are discussed in the context of the Swiss experience, and the costs to SMEs of EMSs outlined. Practical difficulties associated with the standards are considered, and the question asked, “Do EMSs lead to environmental improvement?”
How relevant are different forms of relational behavior? An empirical test based on Macneil's exchange framework
Authors: Sven Ivens Bjoern
Published: August 2004

Many transactions in the business‐to‐business‐field are governed on a relational basis. In such long‐term business relationships, the object of exchange is but one determinant of relationship success. Soft factors such as the customer‐directed behaviors a supplier demonstrates are generally believed to be a major determinant of performance variables. Based on the relational exchange framework, this paper examines the impact of relational behaviors on relationship quality in professional service relationships. An empirical study conducted among 206 purchasers of market research information provides evidence that supplier behaviors such as role integrity, flexibility, or solidarity have an important impact on different dimensions of customer‐perceived relationship quality (satisfaction, trust, and commitment).
Salesperson job involvement: do demographic, job situational, and market variables matter?
Authors: Marshall Greg W. , Lassk Felicia G. , Moncrief William C.
Published: August 2004

Job involvement is the psychological identification with one's job. Recent trends in sales organizations have heightened the need for increased job involvement among salespeople. Little research has been done to investigate the relationship of job involvement to demographic, job situational, and market variables in a sales setting. Results of a survey of 417 field salespeople revealed support for associations between job involvement and these variables. Implications are discussed for sales managers and sales researchers.
Quality assurance for clinical research: challenges in implementing research governance in UK hospitals
Authors: Franck Linda S. , Pendleton Emma , Pittam Barbara , Preece Michael , Aynsley‐Green Al
Published: August 2004

The oversight of clinical research in the UK is currently in a state of flux. Discusses the quality assurance problems that have arisen in the management of research and the protection of the rights of human participants. Contrasts clinical governance and regulatory approaches to research quality assurance and performs a critical analysis of the Department of Health (England) Research Governance Framework (RGF) to see where it falls within the continuum. Highlights the implications for UK hospitals engaged in clinical research through the presentation of a case study in implementing the RGF. Concludes by suggesting the priority areas that need to be addressed and invites further debate regarding the merits of a clinical governance or regulatory approach to research quality assurance.
A systems approach to quality in elementary schools
Authors: Tarter C. John , Hoy Wayne K.
Published: August 2004

An open social systems model is used to frame and test a series of hypotheses. The socioeconomic status of the environment and four internal system elements (structure, individual, culture, politics) of the school are used to explain two sets of school outcomes: student achievement and teachers' assessments of overall school effectiveness. A typical sample of 145 elementary schools in Ohio is used to test the relationships. The model and results are useful in understanding how this set of key variables as a whole defines quality elementary schools.
Principals' sense of efficacy
Authors: Tschannen‐Moran Megan , Gareis Christopher R.
Published: August 2004

In this era of accountability and significant school reform, efforts to improve schools increasingly look to the principal to spearhead change efforts at the school level. Good principals are the cornerstones of good schools. Without a principal's leadership efforts to raise student achievement, a school cannot achieve its fundamental academic mission. The principal is seen as a key agent at the school level, initiating change by raising the level of expectations for both teachers and students. One promising, but largely unexplored avenue to understanding principal motivation and behavior is principals' sense of efficacy. Self‐efficacy is a perceived judgment of one's ability to effect change, which may be viewed as a foundational characteristic of an effective school leader. This paper reports on three studies that were conducted in the search for a reasonably valid and reliable measure to capture principals' sense of efficacy.
Middle managers in further education colleges
Authors: Briggs Ann R.J.
Published: August 2004

The findings reported here are part of a larger study of the role of middle managers in the UK further education colleges. The study proposes and discusses a typology for the middle manager role, analyses factors which facilitate and impede managers in role, and models the interaction of the college environment with the role. This process gives insight into the emerging concepts of professionalism, which are discussed here in relation to the literature of managerialism and “new” professionalism. The paper discusses what manifestations of new professionalism can be observed in the colleges, how perceptions of professionalism differ from role to role and from college to college, and how professionalism can be modelled and further understood.
Phospholipase C, protein kinase C, Ca2+/calmodulin‐dependent protein kinase II, and redox state are involved in epigallocatechin gallate‐induced phospholipase D activation in human astroglioma cells
Authors: Kim Shi Yeon , Ahn Bong‐Hyun , Kim Joonmo , Bae Yoe‐Sik , Kwak Jong‐Young , Min Gyesik , Kwon Taeg Kyu , Chang Jong‐Soo , Lee Young Han , Yoon Shin‐Hee , Min Do Sik
Published: August 2004

We show that epigallocatechin‐3 gallate (EGCG), a major component of green tea, stimulates phospholipase D (PLD) activity in U87 human astroglioma cells. EGCG‐induced PLD activation was abolished by the phospholipase C (PLC) inhibitor and a lipase inactive PLC‐γ1 mutant, which is dependent on intracellular or extracellular Ca2+, with the possible involvement of Ca2+/calmodulin‐dependent protein kinase II (CaM kinase II). EGCG induced translocation of PLC‐γ1 from the cytosol to the membrane and PLC‐γ1 interaction with PLD1. EGCG regulates the activity of PLD by modulating the redox state of the cells, and antioxidants reverse this effect. Moreover, EGCG‐induced PLD activation was reduced by PKC inhibitors or down‐regulation of PKC. Taken together, these results show that, in human astroglioma cells, EGCG regulates PLD activity via a signaling pathway involving changes in the redox state that stimulates a PLC‐γ1 [Ins(1,4,5)P3‐Ca2+]–CaM kinase II–PLD pathway and a PLC‐γ1 (diacylglycerol)–PKC–PLD pathway.