bluuebunny/crossref_metadata_2025_split huggingface dataset:
Perceived risk and consumer decision making related to health services: a comparative study
Authors: Ashford Ruth , Cuthbert Peter , Shani Najah 
Published: July 2006

AbstractIt is acknowledged[Weinstein, N. and Nicolich, M. (1993) ‘Correct and Incorrect Interpretations of Correlation Between Risk Perceptions and Risk Behaviours’, Health Psychology, Vol. 12, No. 3, pp. 235–45.] that with the development of services marketing specifically related to health services comes a need to understand the aspects of consumer risk behaviour. This paper examines differences in perceived risk between health services, general services and goods and will seek to substantiate and develop a previous US study,[Murray, K. B. and Schlacter, J. L. (1990) ‘The Impact of Services Versus Goods on Consumer's Assessment of Perceived Risk and Variability’, Journal of the Academy of Marketing Science, Vol. 18, No. 1, pp. 51–65.] utilising a quantitative methodology with repeated measures and nested factors. The conclusions support the hypotheses that there are significant differences in perceptions of social and psychological risks when purchasing health services. Copyright © 2000 Henry Stewart Publications
How much are new donors worth? Making donor recruitment investment decisions based on lifetime value analysis
Authors: Aldrich Tobin M. 
Published: July 2006

AbstractDonor lifetime value analysis can be an extremely powerful tool in not‐for‐profit marketing. Many organisations are yet to use this tool to its full value because of practical difficulties with definition and implementation. This paper outlines how Sight Savers International has defined lifetime value and the limitations and problems that needed to be overcome to use the technique effectively as a means of informing decisions about new donor recruitment. The paper introduces the concept of time‐based lifetime value and how it can be developed to measure return on investment of each type of donor recruitment activity. The results of the analysis as applied to Sight Savers are shown; these reveal that some current assumptions, such as that which says cold direct mail produces the best donor lifetime value, may need revising. Copyright © 2000 Henry Stewart Publications
Polymerization of Acrylic Acid on Expanded Poly(tetrafluoroethylene) Tube by APGD Plasma Treatment
Authors: Njatawidjaja Ellyana , Kodama Makoto , Matsuzaki Kenji , Yasuda Keishu , Matsuda Takehisa 
Published: July 2006

AbstractSummary: An APGD treatment was applied to modify expanded poly(tetrafluoroethylene) (ePTFE) tubes with acrylic acid (AAc). The outer surfaces of ePTFE tubes were wrapped with PTFE films before APGD treatment. A hydrophilic modification of the inner surfaces after the treatment was observed, to a degree even higher than the one observed for the outer surfaces. These results indicate the formation of an insoluble polymerized AAc layer on the ePTFE surfaces.Comparison of FTIR‐ATR spectra measured on the untreated ePTFE's inner surface (a) and outer surface (b), and on the inner surface (c), and outer surface (d) of the AAc‐coated ePTFE's.magnified imageComparison of FTIR‐ATR spectra measured on the untreated ePTFE's inner surface (a) and outer surface (b), and on the inner surface (c), and outer surface (d) of the AAc‐coated ePTFE's.
Mechanisms Involved in the Conversion of ppHMDSO Films into SiO2‐Like by Oxygen Plasma Treatment
Authors: Granier Agnès , Borvon Gael , Bousquet Angélique , Goullet Antoine , Leteinturier Christiane , van der Lee Arie 
Published: July 2006

AbstractSummary: Thin ppHMDSO plasma polymer films deposited in a low pressure hexamethyldisiloxane plasma have been exposed to oxygen plasmas ignited in the same reactor at different pressures. The time evolution of the ppHMDSO film during the oxygen plasma treatment (30 s to one hour) was monitored in situ by multi‐wavelength ellipsometry. The treated films were analysed ex situ by X‐ray reflectometry, spectroscopic ellipsometry and infrared spectroscopy. On the other hand, the oxygen atom density as well as the oxygen ion density and energy were measured by actinometry and Langmuir probe measurements, respectively. For all the investigated oxygen plasma conditions, the film thickness and extinction coefficient significantly decrease. If the O ion energy is low enough (typically less than 10 eV) the 65nm ppHMDSO can even be transformed into a 45 nm‐thick carbon free SiO2‐like film. In contrast, if the ion energy is higher than 10 eV, the ppHMDSO is only partially oxidised. Based on the oxygen atom flux measurement, it is concluded that the number of oxygen atoms impinging on the ppHMDSO film is not the only parameter which governs the treatment. The oxygen ion energy appears to have a key role as far as energetic ions are likely to induce the formation of a dense superficial SiO2 layer which prevents the diffusion of O atoms in the film and the out diffusion of volatile oxidation products.
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Crystal structure of phosphatidylglycerophosphatase (PGPase), a putative membrane‐bound lipid phosphatase, reveals a novel binuclear metal binding site and two “proton wires”
Authors: Kumaran Desigan , Bonanno Jeffrey B. , Burley Stephen K. , Swaminathan Subramanyam 
Published: July 2006

AbstractPhosphatidylglycerophosphatase (PGPase), an enzyme involved in lipid metabolism, catalyzes formation of phosphatidylglycerol from phosphatidylglycerophosphate. Phosphatidylglycerol is a multifunctional phospholipid, found in the biological membranes of many organisms. Here, we report the crystal structure of Listeria monocytogenes PGPase at 1.8 Å resolution. PGPase, an all‐helical molecule, forms a homotetramer. Each protomer contains an independent active site with two metal ions, Ca2+ and Mg2+, forming a hetero‐binuclear center located in a hydrophilic cavity near the surface of the molecule. The binuclear center, conserved ligands, metal‐bound water molecules, and an Asp–His dyad form the active site. The catalytic mechanism of this enzyme is likely to proceed via binuclear metal activated nucleophilic water. The binuclear metal‐binding active‐site environment of this structure should provide insights into substrate binding and metal‐dependent catalysis. A long channel with inter‐linked linear water chains, termed “proton wires,” is observed at the tetramer interface. Comparison of similar water chain structures in photosynthetic reaction centers (RCs), Cytochrome f, gramicidin, and bacteriorhodopsin, suggests that PGPase may conduct protons via proton wires. Proteins 2006. © 2006 Wiley‐Liss, Inc.
Ferroelectric phase transition detected by means of a contact electrode method
Authors: Roleder K. , Matlak M. , Ziębińska A. , Ćwikiel K. , Franke I. 
Published: July 2006

AbstractThe contact (reference) electrode method has been applied to observe the structural transformation between the paraelectric cubic and ferroelectric tetragonal phase in the dielectric BaTiO3 (BT) single crystal. The contact electrode in a form a thin gold layer has been sputtered to the biggest crystal surface and at the ends of the electrode two thin silver wires have been glued. A voltage U has been applied to these wires and the resistance of the reference electrode has been measured as function of temperature. The method utilises the new effect of the chemical potential induced phase transition in the electron gas of the reference electrode correlated with the phase transition taking place in the investigated material which can be observed in the resistance temperature dependence of the reference electrode. Except for clear changes in the resistance of the contact electrode at the transition point another anomaly at about 105 °C has been detected. The experiments have shown that this method, used till now to metallic materials, is sensitive enough to observe phase transitions also in the case of non‐metallic materials, like BT. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electronic properties of zinc‐blende Scx Ga1−xN
Authors: Fredj A. Ben , Oussaifi Y. , Bouarissa N. , Said M. 
Published: July 2006

AbstractUsing the empirical pseudopotential approach, we have investigated the electronic properties of GaN, ScN and their hypothetical alloys Scx Ga1−x N in the zinc‐blende structure. The band gaps at Γ‐, X‐ and L‐points as well as the electron effective masses of Γ and X valleys were calculated as a function of scandium molar fraction x. The agreement between our results and the available experimental and previously calculated data is fair. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Zero dimensional exciton‐polaritons
Authors: Baas A. , El Daïf O. , Richard M. , Brantut J.‐P. , Nardin G. , Idrissi Kaitouni R. , Guillet T. , Savona V. , Staehli J. L. , Morier‐Genoud F. , Deveaud B. 
Published: July 2006

AbstractWe present a novel semiconductor structure in which 0D polaritons coexist with 2D microcavity polaritons. Spatial trapping of the 2D microcavity polaritons results from the confinement of their photonic part in a potential well, consisting of an adjustable thickness variation of the spacer layer. This original technique allows to create polaritonic boxes of any size and shape. Strong coupling regime is evidenced by the typical energy level anticrossing, in real space and in momentum space, and supported by a theoretical model. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Disorder issues in metallic photonic crystals
Authors: Nau D. , Schönhardt A. , Bauer C. , Christ A. , Zentgraf T. , Kuhl J. , Giessen H. 
Published: July 2006

AbstractWe study the influence of positional disorder on the optical properties of metallic photonic crystals. Two disorder models are implemented, namely frozen‐phonon disorder and long‐range disorder. We calculate the two‐point correlation functions, analyze the Fourier transforms of the spatial arrangements, and present experimental extinction spectra of the different disordered photonic crystals. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Exciton dynamics in the presence of an electron gas in GaAs quantum wells
Authors: Bajoni D. , Senellart P. , Perrin M. , Lemaître A. , Sermage B. , Bloch J. 
Published: July 2006

AbstractThe dynamics of excitons in a GaAs quantum well in the presence of an electron gas is investigated by time resolved photoluminescence (PL). We prove that the emission at the exciton energy originates from a real exciton population for all time delays. Moreover we show that injecting a low density electron gas strongly accelerates the exciton dynamics, by increasing the exciton formation rate. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Correlation effects in the ultrafast dynamics of the Quantum Hall system close to v = 1
Authors: Kavousanaki E. G. , Dani K. M. , Tignon J. , Chemla D. S. , Perakis I. E. 
Published: July 2006

AbstractWe present a many‐body theory of the non‐linear optical response of the Quantum Hall system. This theory describes the role of the cold, strongly correlated, two‐dimensional electron gas (2DEG) in the ultrafast dynamics. We discuss the manifestations of intraband and interband coherences induced by the collective 2DEG excitations in the coupled photocarrier–Quantum Hall system. We compare to transient three‐pulse four‐wave‐mixing experiments. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn–Sham scheme
Authors: Fuentealba P. , Chamorro E. , Cárdenas C. 
Published: July 2006

AbstractThe Fukui function, hardness, and other reactivity indices defined in the context of the Kohn–Sham scheme have been further examined following up previous developments. An equation analogue to the Berkowitz–Parr relationship among the noninteracting linear response function and a new Kohn–Sham softness hierarchy can be derived as defined in the present study. The thermodynamic‐like structure of the mathematical equations is retained among the global, local, and nonlocal hierarchies of descriptors, yielding equations that present fewer approximations. In particular, it is stressed that the Kohn–Sham hardness is better approximated by the Kohn–Sham energy gap and, as previously emphasized, that the Kohn–Sham Fukui function is precisely equal to the square of the frontier orbital. The higher‐order perturbational extensions have been outlined, and the analogue of a Fukui response function within the Kohn–Sham context has been derived. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Theoretical study of 3d‐metal mononitrides using DFT method
Authors: Chaudhari Ajay , Lee Shyi‐Long 
Published: July 2006

Abstract3d‐Metal mononitrides are studied using the density functional theory method. The lowest spin state for these dimers is obtained using the B3LYP hybrid functional with the 6‐311+G* basis set. The equilibrium geometries, vibrational frequencies, binding energies, Mulliken, and natural orbital population analysis charges, natural orbital electronic configuration, electron affinity, and ionization potential are obtained. Mulliken as well as natural orbital population analysis charges indicate that for all dimers, in cations most of the positive charge localized on the transition metal atom where in anions most of the negative charge localized on nitrogen atom. The binding energies for 3d‐metal mononitrides are higher than those for monocarbides and monoxides. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Helium fine structure: Unsolved many‐body‐QED Problem
Authors: Lindgren Ingvar 
Published: July 2006

AbstractTheoretical and experimental results for the fine‐structure separation of the lowest 3P state of the helium atom disagree significantly. The experiment is well checked and the disagreement is most likely due to deficiency in the theoretical evaluation, which is based upon power expansion of the Bethe‐Salpeter equation. A new numerical technique is introduced for combining QED and electron‐correlation calculations, which in the future might contribute to resolving the issue. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Analytical evaluation of molecular electronic integrals using Poisson's equation: Exponential‐type orbitals and atom pairs
Authors: Absi Noureddine , Hoggan Philip 
Published: July 2006

AbstractThe integral bottleneck in evaluating molecular energies arises from the two‐electron contributions. These are difficult and time‐consuming to evaluate, especially over exponential type orbitals, used here to ensure the correct behavior of atomic orbitals. The two‐center two‐electron integrals are essential to describe atom pairs in molecules and distinguish those that are bound. In this work on analytical integration, it is shown that the two‐center Coulomb integrals involved can be expressed as one‐electron kinetic energy‐like integrals. This is accomplished using the fact that the Coulomb operator is a Green's function of the Laplacian. The ensuing integrals may be further simplified by defining spectral forms for the one‐electron potential satisfying Poisson's equation therein. A sum of overlap integrals with the atomic orbital energy eigenvalue as a factor is then obtained to give the Coulomb energy. This is most easily evaluated by direct integration. The orbitals involved in three and four center integrals are translated to two centers. This is discussed very briefly. The evaluation of exchange energy is a straightforward extension of this work. The summation coefficients in spectral forms are evaluated analytically from Gaunt coefficients. The Poisson method may be used to calculate Coulomb energy integrals efficiently. For a single processor, gains of CPU time for a given chemical accuracy exceed a factor of 4. This method lends itself to efficient evaluation on a parallel computer. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem 106, 2006
BSSE‐free hardness profiles of hydrogen bond exchange in the hydrogen fluoride dimer
Authors: Asturiol David , Duran Miquel , Salvador Pedro , Torrent‐Sucarrat Miquel 
Published: July 2006

AbstractHardness profiles are calculated for the hydrogen bond interchange in the hydrogen fluoride dimer; the study is carried out at the Hartree–Fock and second‐order Møller–Plesset (MP2) levels of theory with three different basis sets. The basis set superposition error (BSSE) is corrected by means of the chemical Hamiltonian approach (CHA). Uncorrected and BSSE‐corrected energy and hardness profiles are compared. Their analysis shows that hardness profiles do not lead to spurious minima as energy profiles do in various cases. The CHA methodology is shown to be valuable in the analysis of intermolecular interactions, with BSSE observed to carry smaller modifications on hardness profiles than on energy curves. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Comprehensive theoretical study towards the accurate proton affinity values of naturally occurring amino acids
Authors: Dinadayalane T. C. , Sastry G. Narahari , Leszczynski Jerzy 
Published: July 2006

AbstractSystematic quantum chemical studies of Hartree–Fock (HF) and second‐order Møller–Plesset (MP2) methods, and B3LYP functional, with a range of basis sets were employed to evaluate proton affinity values of all naturally occurring amino acids. The B3LYP and MP2 in conjunction with 6‐311+G(d,p) basis set provide the proton affinity values that are in very good agreement with the experimental results, with an average deviation of ∼1 kcal/mol. The number and the relative strength of intramolecular hydrogen bonding play a key role in the proton affinities of amino acids. The computational exploration of the conformers reveals that the global minima conformations of the neutral and protonated amino acids are different in eight cases. The present study reveals that B3LYP/6‐311+G(d,p) is a very good choice of technique to evaluate the proton affinities of amino acids and the compounds derived from them reliably and economically. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Ab initio study of the structural properties of ascorbic acid (vitamin C)
Authors: Allen Reeshemah N. , Shukla M. K. , Reed Demarcio , Leszczynski Jerzy 
Published: July 2006

AbstractGeometries of the neutral and ionic tautomeric species of ascorbic acid were optimized at the density functional theory (DFT) level using the B3LYP functional. The radical species were evaluated using the unrestricted B3LYP method. Single‐point energy calculations were also performed using the Møller–Plesset (MP2) and unrestricted MP2 (UMP2) methods for the closed‐shell and open‐shell systems, respectively. The effects of aqueous solution were evaluated using the conducting polarized continuum model (CPCM) and polarized continuum model (PCM). The geometries of most stable radicals in the respective groups were also optimized in the water solution using the CPCM model at the UB3LYP level. All calculation were performed using the 6‐311++G(d,p) basis set. The nature of stationary points on the gas phase potential energy surfaces (PESs) was evaluated using vibrational frequency calculations; all geometries characterize local minima. The species obtained by the deprotonation of the O3 site is the most stable monoanion of ascorbic acid. For the radical species, the structure obtained by the dehydrogenation of the O3 site is the most stable monoradical. Among the radical anions, the species obtained by the deprotonation of the O3 site and subsequent dehydrogenation of the O2 site is the most stable in the gas phase and in an aqueous medium. The computed isotropic hyperfine coupling constants of this species were found to be in good agreement with the experimental data. Our investigation also supports the earlier findings that the oxidized species of ascorbic acid in water solution by the OH• radical is radical anion of the AAOO form. The spin densities and molecular electrostatic potentials are also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Nonequilibrium dynamics of single polymer molecules: Relaxation close to and far from equilibrium
Authors: Hanke Felix , Kreuzer Hans Jürgen 
Published: July 2006

AbstractA master equation approach is used to study the relaxation of single polymer molecules. For relaxation close to equilibrium, a Fokker–Planck equation is derived via a Kramers–Moyal expansion. Far from equilibrium, two scenarios are studied: (i) an initial force that stretched the molecule to a certain length is suddenly released and the time evolution to the final force‐free equilibrium is followed; and (ii) a force of a certain magnitude is suddenly applied to a molecule and the time evolution to the final equilibrium stretching at that force is followed. Initial transients, dominated by many time scales, are followed by a roughly exponential decay. Final approach to equilibrium is again exponential, but on a time scale many orders of magnitude slower. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Public perceptions of Bhutan's approach to sustainable development in practice
Authors: Rinzin Chhewang , Vermeulen Walter J. V. , Glasbergen Pieter 
Published: July 2006

AbstractThis paper focuses on the practical approach to sustainable development in Bhutan and specifically on public views on and experiences with the implementation of this strategy. Bhutan's development goal is ‘gross national happiness’. The strategy it has adopted to achieve this goal is known as the ‘middle path strategy’, which essentially addresses four sources (‘pillars’) of gross national happiness: economic development, ecological preservation, cultural preservation and good governance, without giving greater emphasis to any one pillar over the others. The paper is based on a survey conducted in 10 districts of Bhutan. Standard pre‐designed questionnaires were used for interviews with representatives of three main groups in society: the state, civil society and the market.  The results of this survey, the first of its kind to be carried out in the country, revealed that there is general agreement with the substance of the development strategy, although not everyone is fully aware of its scope and implications. A remarkable outcome of the survey, and one that contrasts with happiness studies conducted elsewhere in the world, was the high score for happiness in a country whose gross domestic product is so small. However, people do feel uncertain and the chosen development path is still fragile. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Remarks on wind turbine power absorption increase by including the axial force due to the radial pressure gradient in the general momentum theory
Authors: Xiros M. I. , Xiros N. I. 
Published: July 2006

AbstractIt is shown that the general momentum theory, in the form that it has been published previously, underestimates the axial force and the absorbed power, possibly by a large amount if the expansion of the wake is large. Consequently, the Betz limit, theoretically, can probably be exceeded by a correspondingly large amount. Copyright © 2006 John Wiley &Sons, Ltd.