bluuebunny/crossref_metadata_2025_split huggingface dataset:
A tank duel with game‐theoretic implications
Authors: Zachrisson L. E. , Robbins James J. 
Published: May 2007

AbstractThis article is drawn from a symposium on “Operations Analysis: Basic Ideas; Some Schematized Applications,” which appeared in Artilleri Tidskrift (Stockholm), Vol. 84, No. 3, 1955. It treats a differential game where decisions by each side are made continuously. A weapon's characteristics are pretested by putting it through a hypothetical battle in which a duel occurs between this weapon and a supposed adversary. The model set up here is capable of generalization, and steps ar e used which might be applied to more general battle situations.For a summary of the entire symposium, see “Military Applications of Operations Research in Sweden,” by James J. Robbins. Operations Research, June 1956, Vol. 4, No. 3.
A method of estimating spare‐part essentiality
Authors: Karr H. W. 
Published: May 2007

AbstractThis paper contains the text of a briefing on a method of estimating spare‐part “essentiality” or “shortage penalties.” The estimates are made by collecting and combining the judgments of individual maintenance specialists. While the talk was primarily directed to a military audience, the subject appears to be of general interest, since the problem of estimating shortage penalties must be faced in applying any of the optimal inventory policies which have been developed in recent years. The quantitative solution of many other management problems also requires input data which can only be obtained on the basis of expert judgment.
A transportation and production model
Authors: Evans G. W. 
Published: May 2007

AbstractA transportation and production model is given in which costs of transportation and production are considered. There are no restrictions on the number of transport paths, and losses in transportation as well as those at terminals are incorporated in the model. Also, products of one type may be converted into products of another type at known terminals. There are many applications of interest in the use of this model, where the demands for products are known and the desired solution allocates production in such a manner that the total cost of maintaining the system is minimized.
A bottleneck situation involving interdependent industries
Authors: Bellman Richard , Dreyfus Stuart 
Published: May 2007

AbstractIn this paper, we consider the computational solution of a maximization problem arising in the study of the utilization of interdependent industries. Under the assumption of proportional costs and returns. it is shown that the dimensionality of the problem can always be reduced by one and all the transformations occurring can be taken to be “shrinking transformations.” These transformations greatly improve the efficiency of the method.
A convex programming procedure
Authors: D'esopo D. A. 
Published: May 2007

AbstractThe procedure which involves successively minimizing a convex function with respect to each of its coordinates is shown to converge if constraints are rectangular and the function has continuous derivatives. It is also shown that certain more general procedures, which might be expected to converge more rapidly, are convergent. A criterion is exhibited which yields information concerning the rate of convergence of this method.
Phenotypic and functional characterization of mature dendritic cells from pediatric cancer patients
Authors: Jacobs Joannes F.M. , Hoogerbrugge Peter M. , de Rakt Mandy W.M.M. van , Aarntzen Erik H.J.G. , Figdor Carl G. , Adema Gosse J. , de Vries I. Jolanda M. 
Published: May 2007

AbstractBackgroundDendritic cells (DCs) are the most potent antigen‐presenting cells of the immune system. Clinical trials have demonstrated that mature DCs loaded with tumor‐associated antigens can induce tumor‐specific immune responses. Theoretically, pediatric patients are excellent candidates for immunotherapy since their immune system is more potent compared to adults. We studied whether sufficient amounts of mature monocyte‐derived DCs can be cultured from peripheral blood of pediatric cancer patients.ProcedureDCs from 15 pediatric patients with an untreated primary tumor were cultured from monocytes and matured with clinical grade cytokines. Phenotype and function were tested with flow cytometry, mixed lymphocyte reaction (MLR), and an in vitro migration assay. DCs of children with a solid tumor were compared with monocyte‐derived DCs from age‐related non‐malignant controls.ResultsEx vivo‐generated monocyte‐derived DCs from pediatric patients can be generated in numbers sufficient for DC vaccination trials. Upon cytokine stimulation the DCs highly upregulate the expression of the maturation markers CD80, CD83, and CD86. The mature DCs are six times more potent in inducing T cell proliferation compared to immature DCs. Furthermore, mature DCs, but not immature DCs, express the chemokine receptor CCR7 and have the capacity to migrate in vitro.ConclusionsThese data indicate that mature DCs can be generated ex vivo to further optimize DC‐vaccination trials in pediatric cancer patients. Pediatr Blood Cancer 2007;49:924–927. © 2007 Wiley‐Liss, Inc.
Growth‐related variations in the Bacillus cereus secretome
Authors: Gilois Nathalie , Ramarao Nalini , Bouillaut Laurent , Perchat Stéphane , Aymerich Stéphane , Nielsen‐LeRoux Christina , Lereclus Didier , Gohar Michel 
Published: May 2007

AbstractUsing 2‐DE, transcriptional gene fusions and cell cytotoxicity assays, we followed changes in the Bacillus cereus strain ATCC14579 secretome, gene expression and culture supernatant cytotoxicity from the end of the vegetative phase up to 5 h after entry into the stationary phase. The concentration of each of the 22 proteins in the culture supernatant was determined at various times. In addition, the stability of the proteins was studied. Fifteen of these proteins, including 14 members of the virulence regulon PlcR, were known or predicted to be secreted. All of the secreted proteins reached a maximum concentration during early stationary phase, but there were significant differences in the kinetics of their concentrations. The time courses of protein concentrations were in agreement with gene expression data, except for cytotoxin CytK, which was unstable, and for the metalloprotease InhA1. Supernatant cytoxicity also peaked in early stationary phase, and the kinetics of cytotoxicity paralleled the time course of concentration of the PlcR‐controlled toxin, CytK. Our concomitant study of the time course of protein concentrations, gene expression and supernatant cytotoxicity reveals that the pathogenic potential of B. cereus peaks during the transition state. It also suggests that there is diversity in the regulation of gene expression within the PlcR regulon.
Superconducting phases in strontium ruthenate
Authors: Wysokiński Karol I. , Litak G. , Annett J. F. , Györffy B. L. 
Published: May 2007

AbstractWe review our recent work concerning the search for the superconducting state realised in Sr2RuO4. The orbital symmetry of the order parameter in this spin triplet superconductor is widely believed to be chiral one with d ‐vector along the crystal c‐axis. The three band, three dimensional model with two different phenomenological interaction parameters is able to explain most of the existing data in quantitative way. This is also true for the recently observed “rotation” of the d ‐vector in magnetic field directed along c‐axis. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Decoherence in flux qubits on mesoscopic nonsuperconducting rings
Authors: Kurpas M. , Dajka J. , Zipper E. 
Published: May 2007

AbstractThe problem of decoherence in recently proposed flux qubits built on mesoscopic normal metal rings is studied. The relaxation and dephasing times coming from the interaction of the qubit with the measuring device are calculated within the weak coupling spin‐boson model. We analyze the effect of the measuring apparatus on the relaxation and dephasing times. The possibility of ohmic approximation for the bath is investigated. Considerably long decoherence times are found. The work is limited to the weak damping regime in low temperatures. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Particle–hole asymmetry in the scanning tunneling spectroscopy of the high temperature superconductors
Authors: Gorczyca Anna , Krawiec Mariusz , Maśka Maciej M. , Mierzejewski Marcin 
Published: May 2007

AbstractThere is still no consensus on the mechanism that is responsible for a particle–hole asymmetry observed in scanning tunneling spectroscopy of high‐temperature superconductors. According to the most popular hypothesis this asymmetry results from strong Coulomb correlations in a nearly half‐filled band. In the present paper we propose another mechanism that leads to such asymmetry. It originates from the coupling between the superconductor and the substrate that the system is deposed on. We show that this coupling gives rise to the particle–hole asymmetry only in the case of an anisotropic superconductivity. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Fabrication and characterization of nano‐porous GaN template for strain relaxed GaN growth
Authors: Hartono H. , Soh C. B. , Chua S. J. , Fitzgerald E. A. 
Published: May 2007

AbstractA simple and cost‐effective Si‐doped porous GaN is fabricated by UV‐enhanced electrochemical etching, produces a high density of uniform pores across the surface. TEM reveals that the etching results in layered nano‐pores structures along the (0001) direction. A red shift of 0.7 cm–1 in the E2 (high) phonon peak of GaN from micro‐Raman corresponds to a relaxation of compressive stress in the porous GaN surface with respect to the underlying epitaxial GaN. Subsequent growth of GaN layer on the porous template results in air gap formation, which is believed to serve as sinks for dislocations for reducing residual strain in the film. Reduction of FWHM of the XRD rocking curve by as much as 0.033° and doubling of the intensity of the PL spectrum clearly show improvement on the crystalline and optical quality of the overgrown GaN layer as compared to the as‐grown. A red shift of ∼0.4 cm–1 towards the stress‐free GaN also indicates a relaxation of compressive stress in the overgrown GaN layer. Such a template is useful for high quality GaN growth. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Optical polarization anisotropies in GaN films for different nonpolar orientations
Authors: Grahn Holger T. 
Published: May 2007

AbstractWe have used polarized photoreflectance spectroscopy to study the electronic‐band‐structure modification of GaN films grown along different nonpolar orientations due to biaxial, anisotropic in‐plane strain. For nonpolar oriented films, the c‐axis of GaN lies in the film plane. In four different GaN films with a nonpolar orientation (M ‐ and A ‐plane), we observe a large in‐plane optical polarization anisotropy, which is much larger for the M ‐plane films due to the much larger strain in at least one of the in‐plane directions. The experimental results for the transition energies and oscillator strengths are compared with theoretical results obtained using the k·p perturbation approach. The large optical polarization anisotropy in M ‐plane GaN films can be used for polarization filtering and polarization‐sensitive photodetectors. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Selective growth of GaN nanocolumns by Al thin layer on substrate
Authors: Ishizawa Shunsuke , Sekiguchi Hiroto , Kikuchi Akihiko , Kishino Katsumi 
Published: May 2007

AbstractFor the application of GaN nanocolumns, one of the most important issues is to control their shapes and positions. We demonstrated a selective RF‐MBE growth of GaN nanocolumns using patterned Al thin pre‐deposited layers on a substrate via their nitridation. As the nanocolumns were grown at the edge of the nitrided Al patterns, a possibility of controlling the shape and the position of nanocolumns was suggested. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Measurement and analysis of international air parcel shipping environment for DHL and FedEx between Europe and United States
Authors: Garcia‐Romeu‐Martinez Manuel‐Alfredo , Singh S. Paul , Cloquell‐Ballester Vicente‐Agustin , Saha Koushik 
Published: May 2007

AbstractVarious studies have been conducted to determine the dynamics that single packages undergo during distribution between destinations as a function of package size and weight and carrier. Previous studies have normally focused on regional and domestic measurements of these environments in Europe and North America. However, no information is available to determine the international handling and shipping environment of single parcels between the two continents. This study used instrumented packages containing triaxial accelerometers. The measured shocks were analysed to determine the velocity change levels as a function of the events measured in the distribution environment and to develop data for drop heights that can be used for package testing. This study provides a comparison of DHL and FedEx, the two largest international parcel carriers. Copyright © 2007 John Wiley & Sons, Ltd.
First principles electronic structure and band gap pressure coefficient for cadmium‐oxide
Authors: Boettger Jonathan C. 
Published: May 2007

AbstractThe static–lattice equation of state (EOS) and electronic energy bands of rocksalt structure cadmium‐oxide (CdO) have been calculated for lattice constants ranging from 9.2 to 8.2 bohr, with and without relativistic corrections included, using two distinct density functional theory models; the local density approximation (LDA) and the generalized gradient approximation (GGA). The zero‐pressure lattice constants obtained with the LDA and GGA models bracket the measured value. For all models considered here, the fundamental band gap decreases linearly with increasing lattice constant over the full range of the calculations. The calculations with relativistic corrections incorrectly predict that CdO is a metal at ambient conditions, transforming to an insulator under pressure. The nonrelativistic calculations predict insulating behavior for all pressures greater than or equal to zero. The large discrepancies between previous predictions of the energy gap for CdO are shown to be due to model differences, not methodological variations. The predicted pressure coefficient for the fundamental band gap is positive and ranges from 13 to 22 meV/GPa, depending on the model used, with the “best” estimate being 15 meV/GPa. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Scattering by a triangular barrier
Authors: Lefebvre Roland 
Published: May 2007

AbstractWe consider a barrier of triangular shape separating a field‐free region from a region where a constant electric field is acting on a particle. This is a completely soluble model. Analytic expressions are provided for the transmission and reflection amplitudes, for a particle coming either from the field‐free region or from the field‐on region. We stress the importance of using the same normalization of the wave functions in the two regions. The resonances supported by this potential are studied. Finally it is shown that it is possible to go in a continuous way from the triangular barrier to the step potential. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Impact of internal electron transfer on the structure of C74 encapsulating Sc and La metal atom impurities
Authors: Liu Dan , Hagelberg Frank 
Published: May 2007

AbstractFrontier orbital theory as well as the Hückel 4n + 2 rule are discussed as guiding principles for the design and the interpretation of metallofullerene architecture where systems of the form Mi@C74 (M = Sc, La; i = 1,2) serve as examples. Transfer of electrons from the metal impurities to the fullerene enclosure populates preferentially the low‐lying unoccupied molecular orbitals of the cage. It further tends to induce aromaticity in the C5 rings neighboring the impurity sites. These observations are used to derive systematically stable structures of the studied mono‐ and dimetallofullerenes. Various geometries and spin states of M2@C74 (M = Sc, La) are considered, and novel ground state candidates are proposed. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
SitCon: Binding site residue conservation visualization and protein sequence‐to‐function tool
Authors: Kairys Visvaldas , Fernandes Miguel X. 
Published: May 2007

AbstractWe introduce SitCon (SITe CONservation), a program designed to explore conservation of functionally important sites in a series of hypothetically homologous candidate protein structures, given amino acid sequence as an input. This can especially be useful when looking for an unknown function of a protein. SitCon exploits the fact that binding sites of proteins are preserved better than the overall residue sequence conservation. To test the capability of unknown function prediction, we randomly chose known function proteins from Caenorhabditis elegans genome. To imitate a behavior of an unknown function target, only the low homology proteins with 0.01 < E‐score ≤ 100 were analyzed as templates. Out of 29 enzyme targets, SitCon was able to provide various hints about their function in at least 69% of the cases. For the eight nonenzyme targets, the predictions matched in only 25% of the cases. SitCon was also tested for a capability to predict presence or absence of metal‐containing heterogroups in the target enzymes with ∼80% success rate. Because this algorithm is not based on specific protein signatures, it may allow detection of overlooked relationships between proteins. SitCon is also very effective as a tool allowing visual comparison of binding site residue conservation between the target and homologous templates side‐by‐side. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Application of the ONIOM (QM/QM) method in the study of molybdena–silica system active in olefin metathesis
Authors: Handzlik Jarosław 
Published: May 2007

AbstractThe two‐layer ONIOM method is applied for description of Mo‐methylidene center on silica, which is the active site of olefin metathesis. Two clusters of different size are employed to model the silica surface. For the larger one, two differently defined inner layers (the model systems) are tested. In all the calculations, the B3LYP functional is adopted for the inner layer, while the Hartree–Fock method or the local density approximation (SVWN5 functional) is used for the treatment of the real system. Based on the reference results obtained for the real system from the B3LYP calculations, it is concluded that both B3LYP:HF and B3LYP:SVWN5 schemes are suitable for proper description of the geometry of the Mo center and its activity in ethene metathesis. The former combination is a little better choice, however. It is also shown that the inner layer, including the third coordination sphere of molybdenum, is large enough to obtain satisfactory results. On the other hand, the relative energies and some geometrical parameters of the active site are dependent on the size of the entire system studied. The sensitivity of the geometrical parameters and reaction energies to the changes of the scale factor g, involved in the ONIOM scheme, is studied as well. It is concluded that the link atom distance is not crucial for obtaining correct results. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
A noteworthy feature of bond dissociation/formation reactions
Authors: Politzer Peter , Murray Jane S. , Lane Pat , Toro‐Labbé Alejandro 
Published: May 2007

AbstractThe reaction force F(Rc) of a process is the negative derivative of the potential energy V(Rc) of the system with respect to the intrinsic reaction coordinate Rc. For the dissociation of a bond, F(Rc) has a negative minimum at a point Rc = α, while for the formation of the same bond, F(Rc) has a maximum at Rc = α. These extrema divide the respective processes into two phases. For the dissociation, these correspond to an initial stretching of the XY bond (structural effect) followed by separation into the fragments X and Y (electronic effects); for bond formation, the electronic phase is first (attractive interaction and gradual bond formation) and then the structural (relaxation to equilibrium separation). The noteworthy feature is that the key point Rc = α always is such that V(α), relative to the minimum of V(Rc), is about 27% of the dissociation energy. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
pKa optimized catalysis in serine proteinases, an ab initio study on the catalaytic His
Authors: Hudáky Péter , Perczel András 
Published: May 2007

AbstractFirst principle models of catalytic apparatus of enzymes can be used for studying stability as well as the atomic details of a catalytic mechanism. For example, the catalytic triad of chymotrypsin was recently investigated by using an ab initio geometry optimized (Hudáky and Perczel, Proteins: Struct Funct Genet, 2006, 62, 749) self‐stabilizing molecule ensemble without the presence of the complete enzyme and substrate. Several parameters of the above catalytic reaction turned out to be the same within the model and the in vitro enzymatic reaction. Among the numerous parameters of the catalytic process geometrical changes of the catalytic histidine was investigated here and the variation of its pKa value was determined. A relatively large range, 3.5 unit, was determined as the variation of pKa as function of the conformational subspace available in serine proteases. Comparing PDB structures of the free and the complex enzymes it was shown, that histidine, after accepting the proton from the OH group of the catalytic serine, undergoes a minor conformational change accompanied by a 2.5 unit decrease in pKa. We conclude that the changes of pKa during catalysis are predominantly determined by the geometrical arrangement of the histidine moiety and this change serves as a significant driving force in the catalytic process. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
The influence of territory characteristics and food supply on the breeding performance of the Red‐backed Shrike (Lanius collurio) in an extensively farmed region of eastern Poland
Authors: Goławski Artur , Meissner Włodzimierz 
Published: May 2007

AbstractThe breeding performance of the Red‐backed Shrike (Lanius collurio) in relation to the territory characteristics was investigated. The study was conducted in an area of high agricultural land use, characterised by small field size, a more mosaic habitat and low use of mineral fertilisers in comparison to Western European countries. The influence of habitat structure and composition in the territory on the date of clutch initiation, nest predation and clutch size in the Red‐backed Shrike was not found, but such an influence on the number of nestlings was shown. The minimum adequate model explained 18.3% of the variation between territories in nestling's number. The number of fledglings was positively correlated with the area of pastures, meadows, orchards and fallows within territories, and negatively correlated with length of overhead transmission lines. The number of fledglings was correlated with food abundance within territories, based on to the results from pitfall traps. There was no correlation between territory food abundance and the size of clutch. The presence of pastures, meadows and fallows, which are foraging places, thus seems to be crucial for the protection of the Red‐backed Shrike.