bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure and Proposed Amino-Acid Sequence of a Pepsin from Atlantic Cod (Gadus morhua)
Authors: Karlsen Solveig , Hough Edward , Olsen Ragnar L.
Published: July 2002

The crystal structure of a pepsin from the gastric mucosa of Atlantic cod has been determined to 2.16 Å resolution. Data were collected on orthorhombic crystals with cell dimensions a = 35.98, b = 75.40 and c = 108.10 Å, on a FAST area-detector system. The phase problem was solved by the molecular-replacement method using porcine pepsin (PDB entry 5PEP) as a search model. The structure has been refined to a crystallographic R factor of 20.8% using all reflections between 8.0 and 2.16 Å, without prior knowedge of the primary sequence. The resulting crystal structure is very similar to the porcine enzyme, consisting of two domains with predominantly β-sheet structure in the same sequential positions as the enzyme from pig. In the course of the model building, 122 residues were substituted and two residues deleted from the starting model to give a polypeptide chain of 324 amino acids and a sequence identity of 57.7% with the pig pepsin. No carbohydrate residues were located. Sequence alignment with available aspartic proteinases, indicates that the fish enzyme seems to be more related to mammalian gastric pepsins than to the mammalian gastricsins and chymosins, lysosomal cathepsin D's and a pepsin from tuna fish. The amino-acid composition of the cod enzyme, however, is more in accordance with the cathepsin D's.
Crystallization and preliminary X-ray diffraction studies of E. coli porphobilinogen synthase and its heavy-atom derivatives
Authors: Shimoni-Livny L. , Carrell H. L. , Wagner T. , Kaufman Katz A. , Afshar C. , Mitchell L. W. , Volin M. , Jaffe E. K. , Glusker J. P.
Published: July 2002

Porphobilinogen synthase (PBGS) catalyzes the condensation of two identical substrate molecules, 5-aminolevulinic acid (ALA), in an asymmetric manner to form porphobilinogen. E. coli PBGS is an homooctameric enzyme. The number of active sites is not clear, but each subunit binds one ZnII ion and one MgII ion. Diffraction-quality crystals of native E. coli PBGS have been obtained, and unit-cell dimensions (a = 130.8, c = 144.0 Å) are reported. These crystals diffract to about 3.0 Å resolution.
Human Carboxyhemoglobin at 2.2 Å Resolution: Structure and Solvent Comparisons of R-State, R2-State and T-State Hemoglobins
Authors: Vásquez Gregory B. , Ji Xinhua , Fronticelli Clara , Gilliland Gary L.
Published: July 2002

The three-dimensional structure and associated solvent of human carboxyhemoglobin at 2.2 Å resolution are compared with other R-state and T-state human hemoglobin structures. The crystal form is isomorphous with that of the 2.7 Å structure of carboxyhemoglobin reported earlier [Baldwin (1980). J. Mol. Biol.
136, 103–128], whose coordinates were used as a starting model, and with the 2.2 Å structure described in an earlier report [Derewenda et al. (1990). J. Mol. Biol.
211, 515–519]. During the course of the refinement, a natural mutation of the α-subunit, A53S, was discovered that forms a new crystal contact through a bridging water molecule. The protein structure shows a significant difference between the α and β heme geometries, with Fe—C—O angles of 125 and 162°, respectively. The carboxyhemoglobin is compared with other fully ligated R-state human hemoglobins [Baldwin (1980). J. Mol. Biol.
136, 103–128; Shaanan (1983). J. Mol. Biol.
195, 419–422] with the R2-state hemoglobin [Silva et al. (1992). J. Biol. Chem.
267, 17248–17256] and with T-state deoxyhemoglobin [Fronticelli et al. (1994). J. Biol. Chem.
269, 23965–23969]. The structure is similar to the earlier reported R-state structures, but there are differences in many side-chain conformations, the associated water structure and the presence and the position of a phosphate ion. The quaternary changes between the R-state carboxyhemoglobin and the R2-state and T-state structures are in general consistent with those reported in the earlier structures. The location of 238 water molecules and a phosphate ion in the carboxyhemoglobin structure allows the first comparison of the solvent structures of the R-state and T-state structures. Distinctive hydration patterns for each of the quaternary structures are observed, but a number of conserved water molecule binding sites are found that are independent of the conformational state of the protein.
Preliminary X-ray analysis of a new crystal form of recombinant pig kidney DOPA decarboxylase
Authors: Malashkevich V. N. , Burkhard P. , Dominici P. , Moore P. S. , Borri Voltattorni C. , Jansonius J. N.
Published: July 2002

DOPA decarboxylase is responsible for the synthesis of the key neurotransmitters dopamine and serotonin via decarboxylation of L-3,4-dihydroxyphenylalanine (L-DOPA) and L-5-hydroxytryptophan, respectively. The crystals of recombinant DOPA decarboxylase differ from those previously reported for the enzyme purified from pig kidney. They belong to space group P622 with unit-cell dimensions a = b = 302.6, c = 178.1 Å. Both the self-rotation function and the good diffraction quality of these crystals (2.5 Å on a synchrotron source) suggest that there should be at least three protein dimers in the asymmetric unit. Diffraction data sets have been collected for the native enzyme and a heavy-atom derivative.
Crystal-growth kinetics of protein single crystals along capillary tubes in the gel-acupuncture technique
Authors: Moreno Abel , Soriano-García Manuel
Published: July 2002

In attempts to obtain protein crystals of a sufficient size for structural studies, lack of knowledge of the physicochemical properties of protein solutions and of their crystal-growth behaviour lead to a bottleneck for drug design as well as for X-ray crystallography. Most formal investigations on crystal-growth phenomena have been focused on equilibrium studies, where the protein is soluble, and on the kinetics of crystal growth, which is related to both nucleation and crystal-growth phenomena. The aim of this work is to measure the crystal-growth rate along a capillary tube used as a growing cell. These experiments were carried out using the gel-acupuncture technique [García-Ruiz et al. (1993). Mater. Res. Bull.
28, 541–546; García-Ruiz & Moreno (1994). Acta Cryst. D50, 484–490; García-Ruiz & Moreno (1997). J. Cryst. Growth, 178, 393–401]. Crystal-growth investigations took place using lysozyme and thaumatin I as standard proteins. The maximum average growth rate obtained in the lower part of the capillary tube was about 35 Å s−1 and the minimum average growing rate in the upper part of the capillary tube was about 8 Å s−1. The crystal-growth rate as a function of the supersaturation was experimentally estimated at a constant height along the capillary tube.
Crystallization and preliminary X-ray diffraction analysis of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26
Authors: Smatanová Ivana , Nagata Yuji , Svensson L. Anders , Takagi Masamichi , Marek Jaromír
Published: July 2002

Haloalkane hydrolytic dehalogenase LinB from Sphingomonas paucimobilis UT26, an enzyme which releases chloride or bromide anion from n-halogenated alkanes and has a broad range of substrate specificity, was crystallized using the hanging-drop vapour-diffusion method at 278 K. The best crystals were obtained by microseeding with a precipitant containing 18–20%(w/v) PEG 6000, 0.2 M calcium acetate and 0.1 M Tris–HCl pH 8.9. The crystals diffract to at least 1.60 Å using synchrotron X-ray under cryogenic (100 K) conditions. They belong to the orthorhombic space group P21212 with unit-cell parameters a = 50.29, b = 71.70, c = 72.73 Å. The asymmetric unit contains one molecule of the enzyme.
Crystallization and preliminary X-ray analysis of a complex between the Bowman–Birk trypsin inhibitor from barley and porcine pancreatic trypsin
Authors: Kim Young Sil , Song Hyun Kyu , Suh Se Won
Published: July 2002

A 1:2 complex between the Bowman–Birk trypsin inhibitor from barley seeds and porcine pancreatic trypsin has been crystallized at 291 K using polyethylene glycol as precipitant. The crystals belong to the orthorhombic space group P212121, with unit-cell parameters a = 67.10, b = 88.38 and c = 203.65 Å. The asymmetric unit contains two monomers of the complex, with a corresponding Vm
of 2.41 Å3 Da−1 and a solvent content of 49%. Native data to 2.2 Å resolution have been collected at 100 K using synchrotron X-rays.
Crystallization and preliminary studies of the DNA-binding domain Za from ADAR1 complexed to left-handed DNA
Authors: Schwartz Thomas , Shafer Karen , Lowenhaupt Ky , Hanlon Eugene , Herbert Alan , Rich Alexander
Published: July 2002

The proteolytically defined Z-DNA binding domain Za of human adenosine deaminase type 1 (hADAR1) has been crystallized in complex with the DNA oligomer d(TCGCGCG). The crystals were obtained from a solution containing ammonium sulfate as precipitating agent and belong to the tetragonal space group P4212. A complete diffraction data set has been collected to a resolution of 2.4 Å. The unit-cell dimensions are a = b = 85.9, c = 71.3 Å. A Raman spectrum of the complex indicates that the DNA in the complex adopts the left-handed Z conformation.
Structures of the complexes of peanut lectin with methyl-β-galactose and N-acetyllactosamine and a comparative study of carbohydrate binding in Gal/GalNAc-specific legume lectins
Authors: Ravishankar R. , Suguna K. , Surolia A. , Vijayan M.
Published: July 2002

The crystal structures of complexes of peanut lectin with methyl-β-galactose and N-acetyllactosamine have been determined at 2.8 and 2.7 Å, respectively. These, and the complexes involving lactose and the T-antigenic disaccharide reported previously, permit a detailed characterization of peanut-lectin–carbohydrate association and the role of water molecules therein. The water molecules in the combining site are substantially conserved in the four complexes. The role of interacting sugar hydroxyl groups, when absent, are often mimicked by ordered water molecules not only at the primary combining site, but also at the site of the second sugar ring. The similarity of peanut-lectin–sugar interactions with those in other galactose/N-acetylgalactosamine-specific lectins also extend to a substantial degree to water bridges. The comparative study provides a structural explanation for the exclusive specificity of peanut lectin for galactose at the monosaccharide level, compared with that of the other lectins for galactose as well as N-acetylgalactosamine. The complexes also provide a qualitative structural rationale for differences in the strengths of binding of peanut lectin to different sugars.
Disorder and twin refinement of RNA heptamer double helices
Authors: Mueller Uwe , Muller Yves A. , Herbst-Irmer Regine , Sprinzl Mathias , Heinemann Udo
Published: July 2002

An RNA helix with seven base pairs which was derived from the acceptor stem of Escherichia coli tRNAAla, rGGGGCUA·rUAGCUCC (ALAwt), as well as a variant, rGGGGCUA·rUAGCCCC (ALAC70), in which the single G·U wobble base pair of ALAwt was replaced by G·C, crystallize in space group C2. Both non-isomorphic crystal forms display a complex packing pattern, which can be described alternatively as disorder or pseudo-merohedral twinning. The structure of ALAwt was determined by SIRAS phasing using an isomorphous iodine derivative, rGGGGCi5UA·rUAGCUCC (ALAI). All three RNA structures were subsequently subjected to twin refinement in space group P1, using anisotropic thermal displacement parameters at resolutions of 1.16, 1.23 and 1.4 Å for ALAwt, ALAI and ALAC70, respectively. Alternatively, the structure of ALAwt was refined in space group C2 assuming twofold disorder of the molecular orientation. The refined structures are of reasonable quality according to all available indicators. There are no systematic differences between the molecular models resulting from twin refinement and disorder refinement.
Crystallization and preliminary crystallographic analysis of major nitroreductase from Escherichia coli
Authors: Kobori Toshiro , Lee Woo Cheol , Akagi Takako , Sasaki Hiroshi , Zenno Shuhei , Saigo Kaoru , Tanokura Masaru
Published: July 2002

NADPH:nitrocompound oxidoreductase from Escherichia coli, NfsA, has been crystallized in the presence of FMN by the vapor-diffusion method using polyethylene glycol 6000 as a precipitant. The crystals belonged to the triclinic space group P1 with cell dimensions, a = 52.2, b = 52.7, c = 53.3 Å, \alpha = 75.1, β = 60.1, \gamma = 60.5°. The crystals are expected to contain two NfsA molecules per asymmetric unit. The crystals diffracted X-rays to at least 2.3 Å resolution and are appropriate for structural analysis at high resolution.
Crystallization of the N-terminal domain of the Escherichia coli regulatory protein TyrR
Authors: MacPherson Kirsty H. R. , Carr Paul D. , Verger Denis , Kwok Terry , Davidson Barrie E. , Ollis David L.
Published: July 2002

The N-terminal domain of the regulatory protein TyrR from Escherichia coli forms a dimer in solution and has been purified and crystallized. The crystals belong to space group C2 with unit-cell parameters a = 134.5, b = 72.1, c = 96.7 Å, β = 98.5°. The crystals diffract to 2.8 Å. Assuming a molecular weight of 23219 Da, a Vm
of 2.5 Å3 Da−1 is obtained for two dimers in the asymmetric unit.
Crystallization and preliminary X-ray diffraction analysis of the homodimeric form α2 of the HU protein from Escherichia coli
Authors: Coste Franck , Hervouet Nadège , Oberto Jacques , Zelwer Charles , Castaing Bertrand
Published: July 2002

The homodimeric form α2 of the Escherichia coli DNA-binding protein HU was crystallized by the hanging-drop vapour-diffusion method using PEG 4000 as a precipitant. The crystals belong to space group I222, with unit-cell parameters a = 31.09, b = 55.34, c = 117.63 Å, and contain one monomer per asymmetric unit. A full diffraction data set was collected to 2.3 Å resolution on a conventional X-ray source. The molecular-replacement method, using the HU crystallographic model from Bacillus stearothermophilus as a starting point, gave a reliable solution for the rotation and translation functions.
ATOMS: crystallography for the X-ray absorption spectroscopist
Authors: Ravel Bruce
Published: July 2002

ATOMS is a user application providing crystallographic functionality useful to x-ray absorption spectroscopists. ATOMS is also a set of reusable, object-oriented software modules written in the Perl programming language providing crystallographic functionality and access to databases of absorption coefficients and anomalous scattering factors. The main use of the ATOMS program is to generate input data for the ab initio, multiple scattering, x-ray absorption spectroscopy code FEFF. However the code offers many additional features, including useful calculations involving absorption coefficients and simulations of Diffraction Anomalous Fine-Structure (DAFS) spectra. Command line, graphical, and web-based interfaces to the code are offered as part of the standard distribution. As Perl runs on a wide variety of common computer platforms, ATOMS itself is a cross platform application. All text presented to the user can be internationalized - support for four languages is currently included in the package. Development of ATOMS is active - a FEFF interface, structure visualization, and additional crystallographic calculations are among the future developments.
Application of ion beam techniques for preparation of metal ion-implanted TiO2 thin film photocatalyst available under visible light irradiation: metal ion-implantation and ionized cluster beam method
Authors: Yamashita Hiromi , Harada Masaru , Misaka Junko , Takeuchi Massto , Ichihashi Yuichi , Goto Fumisato , Ishida Masaya , Sasaki Toshio , Anpo Masakazu
Published: July 2002

Transparent TiO2 thin film photocatalysts have been prepared on silica glass plate by an ionized cluster beam (ICB) method. In order to improve the electronic properties of these photocatalysts, transition metal ions V+, Cr+, Mn+, Fe+) were implanted into the TiO2 thin films at high energy acceleration using an advanced metal ion-implantation technique. The combination of these ion beam techniques can allow us to prepare the TiO2 thin film photocatalysts which can work effectively under visible light (λ > 450 nm) and/or solar light irradiation. The investigation using XAFS and ab initio molecular calculation suggests that the substitution of octahedrally coordinated Ti ions in TiO2 lattice with implanted metal ions is important to modify TiO2 to be able to adsorb visible light and operate under visible light irradiation.
Structural changes of quartz-type crystalline and vitreous GeO2 under pressure
Authors: Ohtaka Osamu , Yoshiasa Akira , Fukui Hiroshi , Murai Kei-ichiro , Okube Maki , Katayama Yoshinori , Utsumi Wataru , Nishihata Yasuo
Published: July 2002

Using a large volume high pressure apparatus, quartz-type crystalline GeO2 and Li2O-4GeO2 glass have been compressed up to 14 GPa at room temperature and their local structural changes have been investigated by an in-situ XAFS method. In quartz-type crystalline GeO2, the change of the coordination number from 4 to 6 begins above 8 GPa and finishes below 12 GPa. On decompression, reversal transition begins below 8 GPa and there is a large hysteresis. Almost no sixfold coordination of Ge is preserved after releasing pressure. Change of coordination number in vitreous Li2O-4GeO2 begins above 6 GPa and is completed below 10 GPa. Reversal transition begins below 10 GPa and the hysteresis is smaller than that of quartz-type GeO2. Change of coordination number in vitreous Li2O-4GeO2 is also reversal.
In situ EXAFS investigation of carbon-supported Pt clusters under potential control
Authors: Hwang B. J. , Tsai Y. W. , Lee J. F. , Borthen P. , Strehblow H. H.
Published: July 2002

The transformation of carbon supported Pt clusters under potential control in 1M HClO4 solution was investigated by in-situ X-ray absorption spectroscopy measurements. Both XANES and EXAFS data are used to show the structure evolution of the Pt clusters at various potentials. It showed that the white line area and the edge energy increase with the applied potential in the range 0.1~1.5V. The coordination number of oxygen and platinum on the Pt/C electrode increases and decreases, respectively, with the applied potential. It is found that the size of Pt cluster does not grow during the electrode fabrication. However, the crystallization of Pt cluster occurs during the potential cycling.
XAFS determination of the bacterial cell wall functional groups responsible for complexation of Cd and U as a function of pH
Authors: Kelly S. D. , Boyanov M.I. , Bunker B. A. , Fein J. B. , Fowle D. A. , Yee N. , Kemner K. M.
Published: July 2002

Bacteria, which are ubiquitous in near-surface geologic systems, can affect the distribution and fate of metals in these systems through adsorption reactions between the metals and bacterial cell walls. Recently, Fein et al. (1997) developed a chemical equilibrium approach to quantify metal adsorption onto cell walls, treating the sorption as a surface complexation phenomenon. However, such models are based on circumstantial bulk adsorption evidence only, and the nature and mechanism of metal binding to cell walls for each metal system have not been determined spectroscopically. The results of XAFS measurements at the Cd K-edge and U L3-edge on Bacillus~subtilis exposed to these elements show that, at low pH, U binds to phosphoryl groups while Cd binds to carboxyl functional groups.
Computer network system with security for a protein data collection system at the Photon Factory
Authors: Sasaki K. , Watanabe N. , Sakabe N. , Sakabe K.
Published: July 2002

In 1997 the prefabricated house of the TARA Sakabe project was constructed very near to the Photon Factory ring, and many computers were installed for crystallographic data handling. A data server with high speed and large capacity was required to improve the efficiency of the protein data collection system which integrated a `high'-security computer network. The new network, based on a 100 Mbps Ethernet, consists of a DEC AlphaServer 4000 with a 115 Gbytes RAID disk, DLT as a backup device, CISCO PIX-32 as a firewall between the TARA private network and KEK, and a 100 Mbps switching hub to be linked to imaging-plate readers and workstations. Therefore, the digital output data from the imaging-plate reader are directly recorded on the server disk resulting in higher efficiency of the users' beam time. In contrast to recording on tape, there is very little problem with backup resulting in a high confidence in the data-collection system.
Irish consumer preferences for honey: a conjoint approach
Authors: Murphy* M. , Cowan C. , Henchion M. , O’Reilly S.
Published: July 2002

The ideal honey profile for 153 Irish consumers of honey was one with a thick texture, a dark golden colour, made by a small‐scale producer, at a price of IR£1.95 and packaged in a 454g (1lb) plain glass jar. Least squares regression was used to estimate part worths for the conjoint analysis. Using the scale attribute as a basis for segmentation three distinct segments were identified. Market simulation experiments simulated market shares for 11 products; the ideal products for each segment (three in total), two existing mass‐produced honeys, four from small‐scale local farm producers and one from a farm producer produced on a larger scale. The first cluster was the least price sensitive, with the most important attribute being small‐scale producer source. Mass‐produced honeys had a very small market share in this segment. The second cluster was distinguished by deriving a high utility from a light‐coloured honey. Again mass‐produced honeys had the smallest market share. In the first two clusters, in addition to some of the ideal products, honey/s from small‐scale producers had high market shares. The third cluster was the most price sensitive and the mass‐produced honeys commanded their largest market share in this segment. This segment also derived the highest utility of all segments from a honey produced on a mass scale. The results show that adjusting pricing and promotional approaches could increase market share for honey producers.
Continuous learning process in new product development in the Thai food‐processing industry
Authors: Suwannaporn Prisana , Speece Mark
Published: July 2002

New product development (NPD) in food‐processing industries is often one element which determines whether companies are able to remain competitive in rapidly changing consumer markets. Current research suggests that well‐managed NPD should be organized as a continuous learning process. It should have strong information linkage across functions and outside the company to suppliers and customers. We examine NPD in Thailand’s food‐processing industry to determine how much it conforms (or not) to current thinking. Generally, only some multinationals and a few larger Thai companies make some attempt to integrate information from a wide knowledge base into their NPD. Even the ones that do it well by Thai standards still have some problems. Existing models of NPD are not very explicit on how information flows should be structured. From our examination of NPD in Thailand, we propose a model based on the continuous learning process in NPD. It suggests how to accumulate and integrate learning (about customers, technology, and NPD itself) across key internal functions (marketing, R&D and manufacturing).
Equal opportunities officers and managing equality changes
Authors: Lawrence Elizabeth
Published: July 2002

Reports research findings from a study of equal opportunities officers. Explores different definitions and understandings of equal opportunities held by equal opportunities officers. Argues that the level of support for equal opportunities officers from top executives and equal opportunities officers’ own levels of seniority in organisations are important factors regarding the success of this area of work. Discusses the management role played by some equal opportunities officers. Considers various strategies for the implementation of equal opportunities within organisations, including mainstreaming, building alliances, and prioritisation of issues. Explores some of the advantages and disadvantages of mainstreaming as a strategy for implementing equal opportunities. Makes some recommendations for effective organisational practice in implementing equal opportunities.
Employee commitment: academic vs practitioner perspectives
Authors: Shepherd Jeryl L. , Mathews Brian P.
Published: July 2002

Employee commitment has been extensively researched by academics. Theories about commitment towards the organisation have enjoyed much interest. The concept is a central part of HR models. Research to date, however, has not examined the extent to which such “academic” perspectives are compatible with the views of practitioners. Hence, this research establishes practitioner’s understanding of employee commitment in a variety of UK private sector organisations. The findings of a national survey, distributed to 300 HRM managers (response rate 32 per cent), indicate a wide recognition of the desirability and benefits of commitment, but clear disparity between the way academics and practitioners conceptualise and measure it. Despite the variety of formal measuring tools available, organisational monitoring of commitment can be described as ad hoc and subjective. We conclude that the subjective approach adopted by practitioners could inform the approaches of academics just as the structured “objective” approaches of academics should inform practitioners.
Acoustic gas sensor with ppm resolution
Authors: Hök B. , Blückert A. , Löfving J.
Published: July 2002

Acoustic sensors based on the well‐known relation between sound velocity and mean molecular mass are suggested for the determination of small concentrations of “pollutants”, such as CO2, in air. The theoretical basis for high resolution is outlined, and a basic design is presented, together with experimental results. Sound velocity is measured continuously at high resolution in an oscillator controlled by the acoustic transit time between a transmitter/receiver pair operating in the 40kHz range. The static error band is better than +/‐3 per cent of full scale, response time less than two minutes, and short‐term resolutions of 0.3 ppm rms, and 3 ppm rms have been obtained in terms of frequency and CO2 concentration, respectively.
Third‐wave Internet in facilities management
Authors: Finch Edward
Published: July 2002

Superlatives abound when talking about the impact of the Internet in business. Facilities management is no exception. However, simply becoming Internet enabled is not enough for facilities management firms. The Internet itself is undergoing a process of perpetual renewal. Firms already have Internet based systems that are obsolete. Systems have passed through a first phase of static delivery, through to dynamic delivery and we are now witnessing the emergence of intelligent delivery. This will result in an Internet environment that can be interpreted by machines (agents) as well as humans. This paper attempts to shed some light on this evolution. The author considers the groundswell of activity that is likely to take place as facilities management addresses the virtual value chain as well as the physical value chain. The discussion in the paper is based in the research explored in a forthcoming book Net Gain in Construction.
A modular approach to structure assembly computations: application to contact problems
Authors: Blanze C. , Champaney L. , Cognard J.‐Y. , Ladevèze P.
Published: July 2002

Presents a modular method for obtaining either a quick or a precise calculation for three‐dimensional structure assemblies with local non‐linearities, such as unilateral contact with friction, or technological components, such as prestressed bolt joints. An iterative method, including a domain‐decomposition technique, is proposed to solve such quasi‐static problems in small perturbations. Two types of entities are introduced: sub‐structures and interfaces. A local and a global stage are successively carried out by an iterative algorithm until convergence. The linear problem in the global stage is solved by a FEM (3D case) or by another approach using Trefftz functions (2D axisymmetrical case). Applications developed with AÉROSPATIALE‐Les Mureaux are presented and concern the study of structure joints with different types of flanges.
DYNROT: a finite element code for rotordynamic analysis based on complex co‐ordinates
Authors: Genta G. , Delprete C. , Bassani D.
Published: July 2002

DYNROT is a code based on the finite element method which is intended to perform a complete study of the dynamic behaviour of rotors. Although initially designed to solve the basic linear rotordynamic problems (Campbell diagram for damped or undamped systems, unbalance response, critical speeds, static loading), it can be used for the study of non‐stationary motions of nonlinear rotating systems and for the torsional analysis of rotors and
reciprocating machines. Explains that one of the distinctive features of the code is the use of complex
co‐ordinates, both for isotropic and non‐symmetric systems. Makes extensive use of complex arithmetics in all parts of the analysis. Applies the modal approach in some of the solution routines to increase the efficiency of the computation or to compute an equivalent viscous damping in those cases where hysteretic damping cannot be introduced directly to the model. The dynamics of bladed discs is included in the code.
Sustaining the dilemma with IT‐related change: the fortuitous role of academia
Authors: McDonagh Joe , Coghlan David
Published: July 2002

Examines the contribution of conventional academia to the high levels of under‐performance and failure in IT investments. Concludes that inter‐disciplinary collaboration and dialogue offer a feasible basis for co‐ordinating and integrating the knowledge and expertise of the IT and organisation development (OD) communities.
Current issues in health and safety training in the UK
Authors: Cooper Mark
Published: July 2002

Aims to describe current issues in health and safety training in the UK, focusing on the training requirements associated with general workplace risks. Rasmussen’s skill‐, rule‐, and knowledge‐based errors are briefly described and training’s role in promoting safe behaviour and in reducing human error are discussed. The weaknesses of using accident statistics as the sole measure of health and safety performance are highlighted. Reference is made to the legislative requirements, especially harmonised European health and safety law. The meaning of “competence” in the context of health and safety law is given. Contemporary views of training’s role as a risk control measure and topical issues relating to training for hazardous occupations are described. The article concludes by arguing that risk assessment is set to become an integral part of the trainer’s planning process.
14. Ground temperature “currents” and earthquake prediction
Authors: Li Chao , OuYang Soucheng , Tang Maocang
Published: July 2002

Based on the theory of blown‐ups, as described by OuYang in 1995 and 1994, for nonlinear dynamic systems on general pansystems transformation, optimization and panderivatives, etc., in this paper, we employ the method, developed in OuYang (1994), to show that the blown‐ups of the nonlinear heat conductive equation is similar to the evolution of observable ground temperature “currents”. According to this analysis, we conduct a simulation based on the historical data of Tang Shan Earthquake in 1976. The simulation results show that: the blown‐ups of the ground temperature “currents” around the earthquake area can be applied to predict forthcoming earthquakes. As for the most disastrous Tang Shan Earthquake, the prediction time is about five months in advance. If the ground temperature “current” that embodies the earth’s crust movement satisfies the unintegrable panderivative equation, we can with enough information demonstrate blown‐up mechanism and forecast relevant earthquakes.
A systems approach designed to explain a phenomenon of biological structures in the universe
Authors: Kuskov Andrey
Published: July 2002

Introduces a research strategy designed to provide explanations for a phenomenon of biological structures in the universe. Indicates that the work is related to cosmic anthropoecology and outlines aspects of the research. Based on the hypothesis of the physical function of living structures that belong to the ecosystem of the Earth a new concept is introduced. The research is at present presented as “purely argumentative” with an attempt to apply a systems approach to a well debated subject.
Best value: changing roles and activities for human resource managers in Scottish local government
Authors: Jaconelli Alison , Sheffield James
Published: July 2002

This article aims to examine the effects of the best value policy initiative on the human resource function in Scottish local government. The article examines whether best value provides the human resource function with the opportunity and ability to perform strategically, rather than in a reactive and opportune manner. In addition, it will examine whether the policy will enable the human resource (HR) function to move from the mechanistic, repetitive activities HR specialists report consume their time, towards the “softer”, more consultative tasks associated with the HR function.
A numerical simulation of measured transient temperatures in the walls, floor and surrounding soil of a buried structure
Authors: Adjali M.H. , Davies M. , Littler J.
Published: July 2002

Presents the results of a numerical simulation of measured heat transfer through a region surrounding a buried structure. The model applied in the study is a widely used whole building thermal simulation program of a type which predicts the thermal response of structures for building services requirements. A multi‐dimensional numerical conductive heat transfer module has been added to this program but this does not specifically address earth‐contact heat flows. This work attempts to assess the accuracy of the overall package when predicting earth‐coupled heat transfer. It is common practice in the field of building services not to use specific earth‐contact models and so it is important to assess the likely errors thus involved. The predictions of the finite‐volume model are compared with one year of data from a basement test facility. The results are analysed using the Differential Sensitivity Analysis method and an attempt is made to correlate predictive errors with periods of rainfall and snow coverage. It seems that a purely conductive model may be capable, given accurate input data, of satisfactorily predicting the transient temperature variations in the soil/concrete envelope surrounding this structure for the period of the year when no snow coverage is present. However, if one is to accurately model regions of earth‐contact (particularly at shallow depths) in a climate in which rainfall and snow are significant then these influences should be explicitly modelled.
Internet: the marketing challenge of the twentieth century
Authors: Herbig Paul , Hale Brian
Published: July 2002

The Internet has evolved into a dynamic source of information as well as an extraordinary marketing tool that is able to reach nearly any user. The Internet phenomenon has become a source for gathering timely information and converting data into profitable results at a faster rate for many firms and individuals in this revolutionary era of the twentieth century. Participants of the economy from households to foreign markets have found this dynamic phenomenal system to be a way to reach the masses with a large percentage of the Earth’s composite knowledge. Examines the revolutionary impact of the Internet on the discipline of marketing for the next decade and next century.
Virtual teaming in the automotive supply chain
Authors: Bal Jay , Gundry John
Published: July 2002

The design, manufacture and delivery of a product requires ever‐higher levels of knowledge and expertise within the supply chain. If concurrent engineering (CE) in tiered supply chains is to be fully implemented, a practical CE strategy needs to recognise that successful, concurrent designs are built on rich relationships amongst all parties. Virtual teaming is the most appropriate framework and mechanism in which to examine how such relationships can be created across a distributed supply chain, with members separated geographically. In principle, virtual teaming could allow joint commitment, feelings of mutuality, trust and creativity, and rapid decision making to operate within a supply chain. For this to be possible, a virtual team needs to be built by concentrating on process, teaming and technology factors. However, experience from other IT‐based initiatives is that technology will be concentrated on to the exclusion of other factors. Data from the two sources support this contention.
Japan’s post‐war economic success: Deming, quality, and contextual realities
Authors: Leitner Peter M.
Published: July 2002

It is difficult to unravel the thread of W. Edwards Deming’s impact on the post‐war industrial recovery of Japan and its transformation from a manufacturer of shabby copies of Western goods to a pre‐eminent producer of high‐quality goods. His name is woven, however, into the fabric of Japanese industrial history. Deming helped launch a campaign for institutionalizing “quality control” within the Japanese manufacturing sector, which adopted a number of the terms and concepts he advocated. In fact, his pedagogical approach dovetailed perfectly with, and helped to provide a philosophical basis for, the infusion of quality as an intrinsic part of the production process. Most importantly, Deming was conveying these concepts on the eve of the “electronics revolution”, where unparalleled precision, cleanliness, and consistency of product were essential metrics determining success or failure. However, the true extent of Deming’s influence may never be known as it was caught up in the complex dynamics that characterized Japan’s industrial resurgence from the late 1940s through the 1980s.
Environmentally induced reversible conformational switching in the yeast cell adhesion protein α‐agglutinin
Authors: Zhao Hui , Chen Min‐Hao , Shen Zheng‐Ming , Kahn Peter C. , Lipke Peter N.
Published: July 2002

The yeast cell adhesion protein α‐agglutinin is expressed on the surface of a free‐living organism and is subjected to a variety of environmental conditions. Circular dichroism (CD) spectroscopy shows that the binding region of α‐agglutinin has a β‐sheet‐rich structure, with only ∼2% α‐helix under native conditions (15–40°C at pH 5.5). This region is predicted to fold into three immunoglobulin‐like domains, and models are consistent with the CD spectra as well as with peptide mapping and site‐specific mutagenesis. However, secondary structure prediction algorithms show that segments comprising ∼17% of the residues have high α‐helical and low β‐sheet potential. Two model peptides of such segments had helical tendencies, and one of these peptides showed pH‐dependent conformational switching. Similarly, CD spectroscopy of the binding region of α‐agglutinin showed reversible conversion from β‐rich to mixed α/β structure at elevated temperatures or when the pH was changed. The reversibility of these changes implied that there is a small energy difference between the all‐β and the α/β states. Similar changes followed cleavage of peptide or disulfide bonds. Together, these observations imply that short sequences of high helical propensity are constrained to a β‐rich state by covalent and local charge interactions under native conditions, but form helices under non‐native conditions.
Synaptic connections between layer 4 spiny neurone‐ layer 2/3 pyramidal cell pairs in juvenile rat barrel cortex: physiology and anatomy of interlaminar signalling within a cortical column
Authors: Feldmeyer Dirk , Lübke Joachim , Silver R. Angus , Sakmann Bert
Published: July 2002

Whole‐cell voltage recordings were obtained from 64 synaptically coupled excitatory layer 4 (L4) spiny neurones and L2/3 pyramidal cells in acute slices of the somatosensory cortex (‘barrel’ cortex) of 17‐ to 23‐days‐old rats. Single action potentials (APs) in the L4 spiny neurone evoked single unitary EPSPs in the L2/3 pyramidal cell with a peak amplitude of 0.7 ± 0.6 mV. The average latency was 2.1 ± 0.6 ms, the rise time was 0.8 ± 0.3 ms and the decay time constant was 12.7 ± 3.5 ms. The percentage of failures of an AP in a L4 spiny neurone to evoke a unitary EPSP in the L2/3 pyramidal cell was 4.9 ± 8.8 % and the coefficient of variation (c.v.) of the unitary EPSP amplitude was 0.27 ± 0.13. Both c.v. and percentage of failures decreased with increased average EPSP amplitude. Postsynaptic glutamate receptors (GluRs) in L2/3 pyramidal cells were of the N‐methyl‐d‐aspartate (NMDA) receptor (NMDAR) and the non‐NMDAR type. At −60 mV in the presence of extracellular Mg2+ (1 mm), 29 ± 15 % of the EPSP voltage‐time integral was blocked by NMDAR antagonists. In 0 Mg2+, the NMDAR/AMPAR ratio of the EPSC was 0.50 ± 0.29, about half the value obtained for L4 spiny neurone connections. Burst stimulation of L4 spiny neurones showed that EPSPs in L2/3 pyramidal cells depressed over a wide range of frequencies (1–100 s−1). However, at higher frequencies (30 s−1) EPSP summation overcame synaptic depression so that the summed EPSP was larger than the first EPSP amplitude in the train. The number of putative synaptic contacts established by the axonal collaterals of the L4 projection neurone with the target neurone in layer 2/3 varied between 4 and 5, with an average of 4.5 ± 0.5 (n= 13 pairs). Synapses were established on basal dendrites of the pyramidal cell. Their mean geometric distance from the pyramidal cell soma was 67 ± 34 μm (range, 16–196 μm). The results suggest that each connected L4 spiny neurone produces a weak but reliable EPSP in the pyramidal cell. Therefore transmission of signals to layer 2/3 is likely to have a high threshold requiring simultaneous activation of many L4 neurons, implying that L4 spiny neurone to L2/3 pyramidal cell synapses act as a gate for the lateral spread of excitation in layer 2/3.
Analysis of whole‐cell currents by patch clamp of guinea‐pig myenteric neurones in intact ganglia
Authors: Rugiero François , Gola Maurice , Kunze Wolf A. A. , Reynaud Jean‐Claude , Furness John B. , Clerc Nadine
Published: July 2002

Whole‐cell patch‐clamp recordings taken from guinea‐pig duodenal myenteric neurones within intact ganglia were used to determine the properties of S and AH neurones. Major currents that determine the states of AH neurones were identified and quantified. S neurones had resting potentials of −47 ± 6 mV and input resistances (Rin) of 713 ± 49 MΩ at voltages ranging from −90 to −40 mV. At more negative levels, activation of a time‐independent, caesium‐sensitive, inward‐rectifier current (IKir) decreased Rin to 103 ± 10 MΩ. AH neurones had resting potentials of −57 ± 4 mV and Rin was 502 ± 27 MΩ. Rin fell to 194 ± 16 MΩ upon hyperpolarization. This decrease was attributable mainly to the activation of a cationic h current, Ih, and to IKir. Resting potential and Rin exhibited a low sensitivity to changes in [K+]o in both AH and S neurones. This indicates that both cells have a low background K+ permeability. The cationic current, Ih, contributed about 20 % to the resting conductance of AH neurones. It had a half‐activation voltage of −72 ± 2 mV, and a voltage sensitivity of 8.2 ± 0.7 mV per e‐fold change. Ih has relatively fast, voltage‐dependent kinetics, with on and off time constants in the range of 50–350 ms. AH neurones had a previously undescribed, low threshold, slowly inactivating, sodium‐dependent current that was poorly sensitive to TTX. In AH neurones, the post‐action‐potential slow hyperpolarizing current, IAHP, displayed large variation from cell to cell. IAHP appeared to be highly Ca2+ sensitive, since its activation with either membrane depolarization or caffeine (1 mm) was not prevented by perfusing the cell with 10 mm BAPTA. We determined the identity of the Ca2+ channels linked to IAHP. Action potentials of AH neurones that were elongated by TEA (10 mm) were similarly shortened and IAHP was suppressed with each of the three Ω‐conotoxins GVIA, MVIIA and MVIIC (0.3–0.5 μm), but not with Ω‐agatoxin IVA (0.2 μm). There was no additivity between the effects of the three conotoxins, which indicates the presence of N‐ but not of P/Q‐type Ca2+ channels. A residual Ca2+ current, resistant to all toxins, but blocked by 0.5 mm Cd2+, could not generate IAHP. This patch‐clamp study, performed on intact ganglia, demonstrates that the AH neurones of the guinea‐pig duodenum are under the control of four major currents, IAHP, Ih, an N‐type Ca2+ current and a slowly inactivating Na+ current.
Investigation of Strain Hardening in NiAl Single Crystals Using Three-Dimensional FEA Models
Authors: Yang Chulho , Kumar Ashok V.
Published: July 2002

Single crystals of NiAl are very ductile at intermediate temperatures (400–700 K) and were observed to exhibit high strain hardening rates at large strains when loaded in the [110] orientation. The experimentally observed strain hardening in NiAl single crystals could not be predicted using simple hardening models and two-dimensional finite element analysis. The primary slip systems that activate during the deformation are (010)[100] and (100)[100], however, it has been hypothesized that activation of secondary slip on {011} slip planes may be responsible for the high rate of hardening observed. The hardening of intermetallic single crystals when multiple slip systems are activated is not well understood. To study this further, a three-dimensional hardening model and constitutive equations were implemented into a finite element analysis program. Since the parameters required to describe the hardening model such as latent hardening ratios are difficult to obtain experimentally, a parametric study was conducted to estimate values for these parameters that enable the prediction of the experimentally observed load versus elongation curves.
Dynamic Optimization of Startup and Load-Increasing Processes in Power Plants—Part I: Method
Authors: Bausa J. , Tsatsaronis G.
Published: July 2002

The fast startup and load-increasing process of power plants is a complex task involving several restrictions that have to be fulfilled simultaneously. An important restriction is the maximum allowed thermal stress of the steam generator pipes and the steam turbines caused by temperature gradients. In this paper the startup process is treated as a dynamic optimization problem. Any appropriate objective function can be used in this optimization problem. Examples include the minimization of fuel consumption or the minimization of the time required to reach the desired load. The maximum allowable temperature and pressure gradients in major plant components appear as additional constraints. In this paper a general method for solving these problems is presented: The dynamic process model, consisting of first-order ordinary differential equations (ODEs) and algebraic equations, is discretized over the time horizon using well established methods for the solution of ODEs. Thus, the continuous dynamic optimization problem is transformed into a large-scale non-linear parameter optimization problem with up to 20,000 optimization parameters and constraints. Such parameter optimization problems can be solved with appropriate sequential quadratic programming (SQP) methods that have become available lately. An application of this method is presented in the second part of this study by optimizing the process of rapid load increase in a single-pressure combined-cycle power plant on the basis of a simplified model.