bluuebunny/crossref_metadata_2025 huggingface dataset:
Fine and hyperfine structure of the 2p and 3p 3πu states of H2
Authors: Lombardi M.
Published: February 2004

One- and two-electron fine and hyperfine structure constants of the 2p and 3p 3πu levels of the hydrogen molecule have been calculated using the 45–50-configuration elliptic coordinates wavefunctions of Rothenberg and Davidson. The two-electron integrals have been reduced to electron repulsion integrals. The resulting constants agree within 1%–5% with experiment.
Theory of phase transitions in solid methanes. IX. The infrared absorption of methane in rare gas matrices
Authors: Nishiyama Ken'ichi , Yamamoto Tsunenobu
Published: February 2004

Theoretical studies are carried out on the rotational motion of a methane molecule embedded in rare gas matrices (Ar, Kr, and Xe). The crystalline fields predicted by H. Yasuda [Prog. Theor. Phys. 45, 1361 (1971)] are employed, which are derived under the assumption of additivity of the empirically chosen pairwise potentials between atoms composing the interacting molecules. The hindered rotation in the fields is solved in the subspace with J≤10, J being the rotational quantum number of the free methane molecule. Then the vibration-rotation states are worked out for threefold degenerate ν3 and ν4 modes. The Coriolis coupling is taken into full account. In order to find the infrared absorption spectra of these modes, the selection rules are derived and the intensity calculations are carried out. Satisfactory agreement is obtained between theory and experiment.
Monte Carlo trajectories: Dynamics of the reaction F+D2 on a semiempirical valence-bond potential energy surface
Authors: Blais Normand C. , Truhlar Donald G.
Published: February 2004

A semiempirical valence-bond calculation was carried out for the potential energy surface of H2F treating explicitly seven valence electrons (2pF51sHa1sHb). The integrals were evaluated from diatomic potential energy curves using the Cashion-Herschbach method. Using this potential energy surface, the chemical reaction F+D2→FD+D was studied by Monte Carlo calculations of quasiclassical trajectories. Cross-section calculations were carried out for initial conditions in these ranges: relative translational energy, 1.56–19.3 kcal/mole; rotational angular momentum (in units of ℏ), 0–5; vibrational quantum number, 0–1. In addition, distributions of internal energy and scattering angles for the molecular product were calculated. The results were compared with those of previous theoretical studies and the comparison indicates that subtle features (not well understood) of the potential surface may be important for obtaining correct results. The results were also compared with molecular beam, chemical laser, and infrared chemiluminescence results. The angular distributions are not accurate but the product internal energy distributions are in fairly good agreement with experiment. For the reaction F+H2→FH+H, a limited number of trajectories were carried out for initial vibrational quantum numbers 0–3.
Ligand hyperfine interaction in Cu2+ complexes in amino acid crystals: L-alanine-d4 and α-glycine-d2
Authors: Fujimoto M. , Wylie L. A. , Saito S.
Published: February 2004

At 77°K EPR spectra of Cu2+ impurity complexes in L-alanine-d4 and α-glycine-d2 crystals exhibited well-defined ligand hyperfine structures, indicating that the ligand amino group has a − NH2 structure in place of the zwitterionic −NH3+. This implies that the interstitial accommodation of a divalent Cu2+ ion necessitates removal of two protons from the ligand molecules. The proton hyperfine couplings were small and anisotropic, indicating the presence of a rearrangement motion in the ligand amino protons. The proton tensors were determined in L-alanine-d4 crystals, while in α-glycine-d2 the spectra were so complicated that only estimated values were obtained.
Linear least-squares fitting of molecular-beam differential cross section data using spline functions
Authors: Creaser Roger P. , English Richard P. , Kinsey James L.
Published: February 2004

A method is presented for using spline functions to unfold center-of-mass differential elastic cross sections from scattering data by a linear least squares technique. The role of various averaging processes in reducing structure in the scattered intensity is illustrated.
Torsional frequencies and barriers to methyl rotation in isobutylene, O -xylene, and durene
Authors: Livingston Robert C. , Grant David M. , Pugmire Ronald J. , Strong Kenneth A. , Brugger Robert M.
Published: February 2004

The A2 and B2 torsional frequencies for liquid and solid isobutylene, solid O -xylene, and solid durene have been obtained at 173 206, 206 239, 146 182, and 144 180 cm−1, respectively, by the ``small kappa'' method of inelastic neutron scattering. Using a truncated, two-dimensional Fourier series to describe the potential energy interactions of the methyl groups, both the dominant threefold potential energy term and a methyl-methyl coupling term have been calculated from the torsional frequencies. The splittings of the symmetric and asymmetric torsional modes are explained as due entirely to the potential coupling of the two methyl groups. Although not resolved, the scattering data on gaseous isobutylene yields an ``average'' torsional mode of 170 cm−1. The total barrier heights for liquid and solid isobutylene of 2390 and 3070 cal/mole, which are much higher than gas phase barriers obtained by other methods, indicate rather large intermolecular forces affect the barriers in the condensed states. Due to large methyl-methyl interactions, the total barrier of 1860 and 1820 cal/mole in O -xylene and durene is found to be lower than results obtained by other methods which neglect methyl-methyl interactions.
De-excitation cross sections of metastable argon by various atoms and molecules
Authors: Bourène M. , Calvé J. Le
Published: February 2004

The rate constants for the de-excitation of Ar(3P2) metastable atoms by many gases were measured, and the corresponding cross sections are calculated. These rate constants were measured in a static system using the N2(C 2Πu→ B 3Πg) emission band at 3371 Å to detect the Ar(3P2). The results are compared with those obtained for the quenching of He(2 3S) metastable atoms and for photoabsorption at the argon resonance wavelengths. From these comparisons the de-excitation cross section of metastable atoms appears to be a function of the long range forces and thus it can be presented as a function of the polarizability.
Gas phase EPR of vibrationally excited O2
Authors: Cook Thomas J. , Zegarski Bernard R. , Breckenridge William H. , Miller Terry A.
Published: February 2004

The gas phase electron paramagnetic resonance spectrum of vibrationally excited molecular O2 has been obtained using a discharge sampling technique. Measurements of line intensities indicate vibrational temperatures up to 600°K with maintenance of a translational-rotational equilibrium temperature of 300°K. Analysis of the O2 spectrum allows a determination of the vibrational variation of the ``spin-spin'' parameter, λv, and the ``spin-rotation'' parameter, γv. Combination of these values with previous microwave results for the v=0 state of O2 gives much improved values for these parameters at the equilibrium inter-nuclear distance of O2. Further analysis of these results gives values for the first and second derivatives of the parameters with respect to internuclear distance.
Polymer conformational statistics. III. Modified Gaussian models of stiff chains
Authors: Fixman M. , Kovac J.
Published: February 2004

Several attempts have been made to account for polymer chain stiffness or excluded volume effects in non-Newtonian viscosity theory with the use of a modified Gaussian probability for intrachain distances. This method is here tested for the freely rotating chain by an application to the equilibrium expectation of the end-to-end vector R in the presence of an external potential −R· f. The Gaussian parameters are varied as f increases to keep Gaussian estimates of the bond length and bond angle constant. Numerical tests are made for the limits of a freely jointed chain and the worm chain, and the modified Gaussian approach is found to work very well.
Measurement of vibrational temperature of CO and N2 using the He(23S) Penning ionization technique
Authors: Young Stephen J.
Published: February 2004

The vibrational temperatures of N2 and CO in binary gas mixture and in the VV quasiequilibrium regime of high vibrational temperature and low kinetic temperature were measured in a flow tube apparatus. The Penning ionization with He (23S) technique was used to determine the vibrational temperatures of both gases. The Treanor-Teare expression relating vibrational temperatures for such conditions was verified. The formulation of the Penning ionization technique for CO allowed the CO rotational energy and the kinetic energy of relative motion between CO and He to play a role in the normally nonenergetically allowed CO(X, 0)→CO+(B, 1) excitation reaction. The unexpected result of a collisional quenching rate that is smaller for CO+(B, 1) than for CO+(B, 0) was also observed.
Isotopic thermal diffusion factors of Ne, Ar, Kr, and Xe from column measurements
Authors: Rutherford W. M.
Published: February 2004

The isotopic thermal diffusion factors of Ne, Ar, Kr, and Xe were determined as a function of temperature from separation measurements carried out at low temperature differences in a precisely constructed thermal diffusion column. The apparatus and techniques were similar to those used in previous work with Ne–Xe mixtures. The results, which were obtained for average temperatures in the range from 323 to 438°K, were in good agreement with the data of other investigators for Ne and Ar. Partial agreement was obtained for Kr, but for Xe the column results are substantially lower than published values derived from swing separator experiments. The Dymond-Alder and the Bobetic-Barker intermolecular potential energy models for argon were applied in reduced form to neon, krypton, and xenon. It was found that the thermal diffusion factors calculated on the basis of either potential were in good agreement with the experimental results. The data appear to follow a unique corresponding-state relationship between the reduced thermal diffusion factor and the reduced temperature. This relationship, in turn, is closely predicted from calculations based on the Dymond-Alder potential.
Hydrodynamic theory of CIDEP and CIDNP
Authors: Evans Glenn T. , Fleming Paul D. , Lawler Ronald G.
Published: February 2004

The stochastic Liouville method has been applied to the problem of high field CIDEP and CIDNP. The full equation of motion of the density matrix for the pair of free radicals includes: (1) the spatially isotropic Liouville operator; (2) the diffusion operator; (3) selective recombination of radical pairs from the singlet electronic state; (4) the Heisenberg exchange interaction; (5) secular electronic relaxation processes; and (6) radical scavenging processes. The short range character of radical recombination and Heisenberg exchange relative to the long distance of a diffusive trajectory allows these interactions to be treated effectively as delta functions which operate at a distance corresponding to a chemical bond. Using this delta function model, the equation of motion of the density matrix is soluble exactly for: (1) the z component of the electronic magnetization for a single radical fragment, which is proportional to the intensity of an ESR line; and (2) the nuclear spin level populations of the recombination and scavenged products, which are the indirect observables in the NMR experiment. In the limits of weak electronic relaxation and slow scavenging, the solutions of the problem approach those obtained by Adrian using the Noyes molecular pair theory.
Excitation of CN violet (B 2Σ+−X 2Σ+) and red (A 2Πi−X 2Σ+) bands by reaction of Ar and Xe metastable atoms with CN-containing compounds
Authors: Coxon J. A. , Setser D. W. , Duewer W. H.
Published: February 2004

The vibrational, and in some cases rotational, populations of the CN (A 2Πi) and (B 2Σ+) states produced by the dissociative excitation reactions of metastable argon and xenon atoms with HCN, ICN, and BrCN have been measured. Emission from the D, E, and F states of CN were observed from Ar(3P0,2) with BrCN. Anomalously high intensities from perturbed rotational levels of CN (B 2Σ+; v′ = 0, 11, 14) were found, and only the perturbed levels are produced from CNBr and CNI. The interaction of metastable argon atoms with BrCN and ICN gave excitation to v′ = 20 of CN (B 2Σ+) with a population inversion for v′ > 11 relative to lower levels. Extremely high rotational excitation of CN (B 2Σ+; v′ = 0, 1, 2) resulted from the interaction of Xe(3P2) with BrCN and ICN. The spectroscopic observations provide extensive detail and illustrate the complexity of these dissociative excitation reactions. In addition to a short discussion of the mechanism of interaction between the metastable atoms and CN compounds, some comments are offered concerning the spectroscopy of the CN red and violet emissions. Investigation of the electronic quenching of CN (B) emission showed an unusually high quenching rate for v′ = 11 by CNBr or CNI.
Vibrational population inversion in hydrogen iodide from H+I2→ HI+I
Authors: Anderson J. B. , Kung R. T. V.
Published: February 2004

A classical trajectory analysis for the reaction H+I2→ HI+I at 600°K, using trajectories sampled within the transition region, shows vibrational excitation of the HI product molecules, mainly to the v=3 to v=5 levels. The calculated thermal rate is in approximate agreement with measurements by Sullivan. The product angular distribution is peaked at 110–120° relative to the incident atoms as measured for the reaction of D atoms by McDonald, LeBreton, and Herschbach. The translational energy distribution of the products is also similar to that found by McDonald et al. for the deuterium analog.
T-matrix theory for near-adiabatic processes. I. Generalized coordinate representation for the T matrix and expansion around the potential crossing point
Authors: Matsushita T. , Paul R.
Published: February 2004

The T matrix for near-adiabatic processes involving a bound state is presented in the two-state representation by introducing the effective kinetic energy operator. A new expression for the T matrix is derived in terms of generalized coordinate system with reference to the molecular rotating frame. The expansion formula for the T matrix around the potential crossing point is given.
Electron impact excitation of H2O
Authors: Trajmar S. , Williams W. , Kuppermann A.
Published: February 2004

Relative differential cross sections for elastic scattering and for a number of inelastic processes corresponding to vibrational and vibronic excitation of H2O have been determined at 53, 20, and 15 eV impact energies in the 0°–90° angular range. The measurements were carried out with an instrumental resolution of about 80 meV for transitions corresponding to the following energy losses: 0.45 eV (ν1 and/or ν3); 0.90 eV (ν1+ν3); 4.5 eV [triplet state(s)]; 7.4 eV (Ã1B1); 9.7 eV (B̃1A1); 9.81 eV (triplet state); 10.00 eV [C̃1B1 (0, 0, 0)]; 10.17 eV [D̃1A1 (0, 0, 0)]; 10.38 eV [C̃1B1 (1, 0, 0)]; 10.57 eV [D̃1A1 (1, 0, 0)]; 10.76 eV [C̃1B1 (2, 0, 0)] and [D̃1A1 (1, 1, 0)]; 11.01 eV (Ẽ1B1); and 11.11 eV (F̃). On the basis of the angular distribution of the scattered electrons, it is suggested that the 4.5 and 9.81 eV transitions are associated with excitations of triplet states, while the angular distribution of the scattered electrons at all other energy losses indicate predominantly singlet-singlet transitions. The sharpness of the 9.81 eV transition indicates that the corresponding state has an equilibrium geometry similar to that of the ground state.
Stress tensor for arbitrary flows of dilute solutions of rodlike macromolecules
Authors: Armstrong Robert C. , Bird R. Byron
Published: February 2004

An equation for the stress tensor in terms of the rate of strain tensor is obtained for a dilute suspension of rigid macromolecules with Brownian motion. The result is given as a series of memory integrals up through terms of third order; the kernel functions contain two constants: the number density and time constant for the macromolecules. In obtaining this series, the distribution function for arbitrary unsteady homogeneous flows is developed up through terms of second order. It is shown that one need consider only irrotational flow in determining the kernel functions for the memory integral expansion. Relations between the kernel functions and the coefficients in the retarded motion expansion are also given. In addition it is shown how the Eulerian components of the rate-of-deformation tensor are related to the fixed components by using the theory of matrizants.
Application of RRKM theory to the chemical and thermal activation of ethyl radicals
Authors: Michael J. V. , Suess G. N.
Published: February 2004

The quantum statistical RRKM theory of unimolecular reactions has been applied to the decomposition of excited ethyl radicals. These radicals can be formed either by collisional activation in a thermal system or chemically by the addition of hydrogen atoms to ethylene molecules. The assessment of pertinent parameters has been based on an appraisal of theory and experiment. The pressure dependence of the rate constant for the chemical activation reaction was used to assist in the assignment of activated complex parameters. These parameters were varied until good agreement was obtained between the calculated pressure falloff and data from this laboratory for the H+C2H4 reaction. The final parametric assignments were then used in calculations at higher temperatures for comparison with the thermal decomposition data for ethyl radicals from other laboratories.
Negative thermal expansion in crystalline linear polymers
Authors: Baughman Ray H.
Published: February 2004

Molecular processes contributing to observed negative chain direction thermal expansion coefficients for linear, crystalline polymers are examined. To assess the importance of thermal contraction due to chain torsional motion below the lattice melting point, several models are proposed which approximate the dimensional changes resulting from such motion and enable relationships to be obtained between chain length contraction and root mean square torsional vibrational amplitude. Using these relationships it was found that reasonably small rms torsional rotation amplitudes could explain the entire observed negative chain direction lattice thermal expansion for polyethylene and for selenium and tellurium (respectively, time-average planar zigzag and helical molecules). For a time-average planar zigzag polydiacetylene, a model chosen to represent chain torsional motion related contraction indicates that significant torsional motion about a bond best represented as C=C is necessary in order for chain torsional motion to explain the entire observed chain direction macroscopic thermal expansion. Equilibrium point defect formation (interstitial or vacancy) not only contributes to both lattice and macroscopic expansion coefficients, but also can possibly result in large differences between these parameters. It is demonstrated for polyethylene single crystals close to their melting point that Reneker defect formation could result (depending upon the mechanism of defect equilibration and previously obtained formation parameters) in a negative chain direction macroscopic expansion coefficient which is several times larger in magnitude than the corresponding observed negative lattice expansion coefficient.
Analysis of vibrational structure and Jahn-Teller effects in the electron spectrum of ammonia
Authors: Rabalais J. W. , Karlsson L. , Werme L. O. , Bergmark T. , Siegbahn K.
Published: February 2004

The electron spectra of the A12←1A1 and the E←12A1 transitions of ammonia have been measured with sufficient resolution to observe considerable fine structure. The first transition, A12←1A1, contains two vibrational progressions which are assigned to the ν2 bending mode. The second transition E←12A1, consists of two overlapping electron bands due to Jahn-Teller splitting of the 2E state. The vibronic structure accompanying this transition has been partially resolved and compared to the results of model calculations.
Infrared double resonance in boron trichloride
Authors: Houston Paul L. , Nowak Andrew V. , Steinfeld J. I.
Published: February 2004

Infrared-infrared double resonance spectroscopy has been used to monitor the absorption changes induced in both 11BCl3 and 10BCl3 by a pulsed CO2 laser. It is found that the relaxation of the initial excited state to a distribution of excited states proceeds by a very fast V↔ V process with a rate of at least 2× 106sec−1 Torr−1. This excited distribution subsequently relaxes by a slower V↔ T deactivation from the ν4 level at 243 cm−1. The collision efficiency for deactivation of this level has been measured for collision partners He, Ne, Ar, Kr, Xe, HCl, DCl, H2, HD, D2, N2, CH3F, and CHCl3 as well as for BCl3 itself. The results are compared with existing theories of vibrational relaxation into translational and rotational degrees of freedom.
Potential constants of Co(CO)3 NO from vibrational spectra of six isotopic species
Authors: Jones Llewellyn H. , McDowell Robin S. , Swanson Basil I.
Published: February 2004

Infrared and Raman spectra are reported for Co(12C16O)314N16O, Co(12C16O)315N18O, Co(12C18O)314N16O, Co(12C18O)315N18O, Co(13C16O)314N16O, and Co(13C16O)315N18O. All fundamentals have been assigned and anharmonicity corrections have been estimated for the C–O and N–O stretching frequencies. General quadratic potential constants have been calculated by constraining many of the interaction constants to values estimated from analogous constants of nickel carbonyl. Compared with Ni(CO)4, Co(CO)3NO exhibits slightly stronger backbonding of the metal d electrons to the carbonyl group. The NO, CoN interaction is surprisingly small, indicating that the effects of changes in pi backbonding and in Co–N sigma bonding nearly cancel each other.
Solving the radial Schrödinger equation by using cubic-spline basis functions
Authors: Shore Bruce W.
Published: February 2004

This paper demonstrates the use of piecewise continuous (class C2) polynomial basis functions (B splines or hill functions) in solving the l=0 radial Schrödinger equation, with examples of scattering from Eckart, exponential, and static hydrogen potentials, and eigenvalues for Coulomb, harmonic oscillator, and Morse potentials. Simple nonlinear placement of spline centroids can improve accuracy by orders of magnitude. Comparisons demonstrate the greater accuracy of the Galerkin method, compared with collocation, simple finite difference, and Numerov methods.
Expectation values of the kinetic and potential energy of a diatomic molecule
Authors: Stwalley William C.
Published: February 2004

Simple semiclassical expressions for expectation values of the kinetic and potential energy are given. These expressions allow determination of the expectation values directly from the vibrational energy levels alone (without quadrature) and are in excellent agreement with exact quantum mechanical results for even the lightest of diatomics (H2).
Impact parameter methods with effective potentials for inelastic molecular collisions
Authors: Rabitz Herschel
Published: February 2004

Previously employed exact quantum impact parameter methods for elastic scattering are extended to inelastic scattering. This is done within the framework of a recently developed effective potential model for the interaction of two molecules. The effective potential Veff and the transition matrix T are represented as integrals over a Bessel function times corresponding impact parameter amplitudes. Three particular impact parameter representations of the effective potential are discussed. It is shown that the form of the equation of motion for the T-matrix amplitude depends on the representation of the potential. This presents no difficulty once a particular choice of potential representation is made. A convenient characteristic wave number κ is introduced into the formulation, and it is shown that the resulting T-matrix is invariant with respect to its magnitude. The choice of κ is then argued on physical grounds. Several approximate equations of motion and their solutions are developed for the T-matrix amplitude. Some specific computational considerations are also discussed in conjunction with this development.
Photochemistry of single vibronic levels of formaldehyde
Authors: Yeung Edward S. , Moore C. Bradley
Published: February 2004

Predissociation, quenching and energy transfer have been studied for single vibrational levels of the first excited singlet state of formaldehyde (1A2). A tunable ultraviolet laser, summation of dye plus ruby, provided 7 nsec pulses with less than 1 Å wavelength spread. Fluorescence decay lifetimes were measured as a function of pressure. The decay rates, extrapolated to zero pressure, increase rapidly with increasing vibrational energy. A hundredfold increase in rate is observed for 4000 cm−1 in D2CO. The variation of rate with the particular combination of normal modes excited in comparatively small. The effect of deuteration is marked; H2CO decays about twenty times faster than D2CO. We believe that for the energy range studied the only mechanism of radiationless decay compatible with the energy level structure of formaldehyde and with the lifetime observations is internal conversion to high vibrational levels of the ground state which are broadened by unimolecular dissociation. The rates measured for collision-induced dissociation exhibit an energy and isotope variation parallel to that for the collision-free process. The cross sections for higher energy levels are several times larger than hard sphere. In D2CO a small fraction of collisions resulted in vibrational relaxation within the excited electronic state. For H2CO and HDCO the rate of energy transfer was too much smaller than the quenching rate to be observed.
General theory of diffusion-controlled reactions
Authors: Wilemski Gerald , Fixman Marshall
Published: February 2004

A formal mathematical description of diffusion-controlled bimolecular reactions is presented. The theory is completely general with respect to the kinds of reaction processes that may be considered. Besides the presentation of the general formalism, the paper also contains several examples illustrating the application of the theory to a simple many-particule system for simple catalytic bimolecular reactions, including fluorescence quenching. The manner in which approximate solutions may be obtained is also outlined.
Use of stable isotopes to measurede novosynthesis and turnover of amino acid-C and -N in mixed micro-organisms from the sheep rumenin vitro
Authors: Atasoglu C. , Guliye A. Y.
Published: February 2004

Protein synthesis and turnover in ruminal micro-organisms were assessed by stable-isotope methods in order to follow independently the fate of amino acid (AA)-C and -N in different AA. Rumen fluid taken from sheep receiving a grass hay–concentrate diet were strained and incubatedin vitrowith starch–cellobiose–xylose in the presence of NH3and 5 g algal protein hydrolysate (APH)/l, in incubations where the labels were15NH3, [15N]APH or [13C]APH. Total15N incorporation was calculated from separate incubations with15NH3and [15N]APH, and net N synthesis from the increase in AA in protein-bound material. The large difference between total and net AA synthesis indicated that substantial turnover of microbial protein occurred, averaging 3·5 %/h. Soluble AA-N was incorporated on average more extensively than soluble AA-C (70v.50 % respectively,P=0·001); however, incorporation of individual AA varied. Ninety percent of phenylalanine-C was derived from the C-skeleton of soluble AA, whereas the incorporation of phenylalanine-N was 72 %. In contrast, only 15 % aspartate-C + asparagine-C was incorporated, while 45 % aspartate-N+asparagine-N was incorporated. Deconvolution analysis of mass spectra indicated substantial exchange of carboxyl groups in several AA before incorporation and a condensation of unidentified C2and C4intermediates during isoleucine metabolism. The present results demonstrate that differential labelling with stable isotopes is a way in which fluxes of AA synthesis and degradation, their biosynthetic routes, and separate fates of AA-C and -N can be determined in a mixed microbial population.
Effects of structured medium- and long-chain triacylglycerols in diets with various levels of fat on body fat accumulation in rats
Authors: Matsuo Tatsuhiro , Takeuchi Hiroyuki
Published: February 2004

The effects of structured medium- and long-chain triacylglycerols (MLCT) in diets containing 50–200 g fat/kg on body fat accumulation were compared with those of long-chain triacylglycerols (LCT) in rats. In rats fedad libitum, weights of intra-abdominal adipose tissues and carcass fat contents were significantly smaller (P<0·05) in rats fed the 150–200 g MLCT/kg diet than in rats fed 150–200 g LCT/kg diet. Serum and liver triacylglycerol contents were significantly greater (P<0·05) in rats fed 200 g MLCT/kg diet, as were hepatic capacities of citrate synthase and cytochrome oxidase (P<0·05). The effects of MLCT on body fat were also examined in adult rats fed a limited amount of food (approximately 50 % ofad libitumintake). Reduction of body fat deposition during the food restriction was the same between in LCT and MLCT groups. These results suggest that accumulation of body fat was less efficient during long-term feeding of MLCT than LCT in rats fed high-fat dietsad libitum. The effect of MLCT on body fat might be influenced by the dietary fat content or by energy sufficiency.
The relationships between potassium intakes, transmural potential difference of the rumen epithelium and magnesium absorption in wethers
Authors: Jittakhot S. , Schonewille J. Th. , Wouterse H. S. , Yuangklang C. , Beynen A. C.
Published: February 2004

In vitrostudies with isolated sheep rumen epithelium have shown that an increase in the lumen K concentration induces an increase in the transmural potential difference across the rumen epithelium (serosal side: positive), which is associated with a decrease in Mg transport. However, at lumen K concentrations >80 mmol/l, Mg transport across the epithelium became independent of the lumen K concentration. The present study was carried out to determine whether this observation also occursin vivo. Four ruminally fistulated wethers were fed four rations supplemented with KHCO3(15·7, 37·6, 59·4 or 77·4 g K/kg DM) in a 4×4 Latin square design. Increased K intakes significantly increased the rumen K concentration. For all data combined, Mg absorption expressed as % intake was negatively correlated with the rumen K concentration. However, apparent Mg absorption either expressed in absolute terms (g/d) or as % intake was not significantly affected when the dietary K concentration was increased from 59·4 to 77·4 g/kg DM. Rumen K concentration was inversely correlated with the transmural potential difference (blood side: positive) (Pearson'sr−0·709;R2adj0·468,P=0·002,n16). It is concluded that in wethers apparent Mg absorption becomes independent of the dietary K concentration when the K concentration is >60 g/kg DM or equivalent to a postprandial rumen K concentration of about 125 mmol/l.
Effect of blood sampling schedule and method of calculating the area under the curve on validity and precision of glycaemic index values
Authors: Wolever Thomas M. S.
Published: February 2004

To evaluate the suitability for glycaemic index (GI) calculations of using blood sampling schedules and methods of calculating area under the curve (AUC) different from those recommended, the GI values of five foods were determined by recommended methods (capillary blood glucose measured seven times over 2·0 h) in forty-seven normal subjects and different calculations performed on the same data set. The AUC was calculated in four ways: incremental AUC (iAUC; recommended method), iAUC above the minimum blood glucose value (AUCmin), net AUC (netAUC) and iAUC including area only before the glycaemic response curve cuts the baseline (AUCcut). In addition, iAUC was calculated using four different sets of less than seven blood samples. GI values were derived using each AUC calculation. The mean GI values of the foods varied significantly according to the method of calculating GI. The standard deviation of GI values calculating using iAUC (20·4), was lower than six of the seven other methods, and significantly less (P<0·05) than that using netAUC (24·0). To be a valid index of food glycaemic response independent of subject characteristics, GI values in subjects should not be related to their AUC after oral glucose. However, calculating GI using AUCmin or less than seven blood samples resulted in significant (P<0·05) relationships between GI and mean AUC. It is concluded that, in subjects without diabetes, the recommended blood sampling schedule and method of AUC calculation yields more valid and/or more precise GI values than the seven other methods tested here. The only method whose results agreed reasonably well with the recommended method (ie. within ±5 %) was AUCcut.
Evaluation of two library‐based and one expert reference service on the Web
Authors: McCrea Richard
Published: February 2004

It has become increasingly common for libraries to provide a reference service which operates via e‐mail or through online forms. This paper compares the performance of three digital reference services available on the World Wide Web, namely, AllExperts, Ask a Librarian, and Internet Public Library (a fourth service, Ask Bob, was included initially but eventually excluded). The online digital reference/“expert” services are generally very effective; most provide an answer within three days, and include suggestions for sources of further information. Although the general response rate from all the services was good, library‐based services were found to be more trustworthy since they provided the answers together with the sources.
The new ring seal of the combustion engines and its surface free energy
Authors: Kaźmierczak Andrzej
Published: February 2004

The ring seal under consideration has come out as a result of the complex research such as the numerical simulation research, introductory quality research involving a real object, comparative research on a tribotester and fundamental research on the real object. It has been found that the essence of excellent tribological properties of the new ring seal lies, in its low value of surface free energy (SFE) of titanium nitride coating on the piston ring and in its high value of energy which is the characteristic of the nitrided surface of the cast iron cylinder sleeve. As a result, when the motion of the ring on the sleeve surface ceases, especially in the outer dead centre (ODC) in expansion stroke, the boundary layer of oil on the sleeve surface prevents metallic contact. In general, it has been found that the SFE can be an important index of material selection for cutting pairs, especially for those working in the reciprocating motion.
The future of on‐line retailing in the UK: learning from experience
Authors: White Helen , Daniel Elizabeth
Published: February 2004

In the wake of some fairly spectacular “dot.com” crashes in the recent past, it is appropriate to open debate on the success (or otherwise) of new Internet “start‐ups” versus large incumbent conventional industry players (in retailing) starting their own Internet activities as separate “bolt‐on” businesses (and new distribution/communication channels.) This paper examines exploratory interviews with senior managers from a selection of “established” organisations in contrasting retailing sectors. Its purpose is to explore the challenges and issues faced by these large retailing organisations in establishing competitive Internet businesses. Insights and reflections are provided for other managers who are also following this line of business expansion. Some of the companies that participated in the research include Dell Corporation, IBM, Tesco Direct, Lotus Notes, Interflora, Flying Flowers, Virgin, Charles Schwab, Waterstones and Thomas Cook.
Measuring marketing performance against the backdrop of intra‐organisational change
Authors: Walker Rhett H. , Slater Rod , Callaghan Bill , Smyrnios Kosmas , Johnson Lester W.
Published: February 2004

Measuring the financial performance and contribution of marketing activity is a challenge increasingly faced by marketers globally. In this paper, we consider the potential effects of intra‐organisational change, particularly employee turnover or “churn”, on the measurable financial performance of an organisation and the ability of an organisation to sustain desired performance. We also discuss implications for research.
Dual‐perspective SWOT: a synthesis of marketing intelligence and planning
Authors: Novicevic Milorad M. , Harvey Michael , Autry Chad W. , Bond Edward U.
Published: February 2004

This paper proposes a cognitive approach of integrating marketing and intelligence views into a new “dual‐perspective” SWOT framework. The new dimensions of SWOT are proposed to address the logical inconsistencies faced by marketing managers synthesizing SWOT components. By representing SWOT as the focus of practitioners’ cognition, researchers and consultants can capture the variability in managerial core logic employed to integrate a coherent strategic situation from a dual intelligence‐and‐planning perspective. Directions are outlined for this new avenue of marketing research.
A new forecasting model for the diffusion of ISO 9000 standard certifications in European countries
Authors: Franceschini Fiorenzo , Galetto Maurizio , Giannì Giovanni
Published: February 2004

ISO 9000 standards for quality system management are involving a higher and higher number of enterprises and organizations. This paper presents a detailed analysis of certification diffusion in Italy and in some European countries with similar economic structures. Benchmarking and evolution forecasts are based on the “logistic model”, traditionally used for studying biological growth phenomena. The presentation is supported by many empirical data, which show that, in many countries, the phenomenon is going to be close to saturation. Finally, some considerations about new developments, after the present “certification era”, are proposed.
Scottish visitor attractions: managerial competence requirements
Authors: Watson Sandra , McCracken Martin , Hughes Moira
Published: February 2004

This paper presents the findings from a study into managerial competence in the Scottish visitor attraction sector. It provides an insight into the range, diversity and perceived importance of current and future competences highlighting differences based on gender, age, size, level of training and location. Although the main findings reveal a focus on operation and self‐management competences, with less emphasis given to strategic competences, significant differences were exposed between those managers who operated in medium‐ and larger‐sized establishments than those in smaller sites, those who had received training for their current position as well as those who had no training and those under the age of 50. The paper concludes by discussing implications of the findings for strategic human‐resource‐development providers in Scottish tourism.
Service recovery in the airline industry: a cross‐cultural comparison of the attitudes and behaviours of British and Italian front‐line personnel
Authors: Lorenzoni Natalia , Lewis Barbara R.
Published: February 2004

This study investigates the attitudes and behaviour of airline front‐line personnel in Britain and Italy, in situations of service failure and recovery. Attitudes towards service recovery are explored through hypothetical scenarios in a questionnaire, and actual behaviours are recorded by using the critical incident technique. The results show that respondents’ attitudes toward service recovery differ by nationality with regard to their affectivity, their group orientation, and to whom they confer authority. With respect to behaviour, satisfactory outcomes from service recovery situations seem to be attributed to different factors by the two nationalities.
Exploring the future roles and capabilities of customer service professionals
Authors: Kiely Julia A. , Armistead Colin G.
Published: February 2004

The study investigates the roles and capabilities likely to be required of customer service professionals (CSPs) in future service encounters. Following a literature review and the results from customer focus groups, a matrix for future customer service roles is developed in which the domains of technical interaction and emotional interaction are displayed. The matrix is tested against interview data from executives in leading service organisations and four key CSP roles are developed, corresponding to the customer service domains displayed in the matrix. The study concludes with a discussion of these four roles and the management implications of the study.
A conceptual model and empirical examination of the effect of service guarantees on post‐purchase consumption evaluations
Authors: McCollough Michael A. , Gremler Dwayne D.
Published: February 2004

Empirically evaluates a model of service guarantees by addressing the impact of a service guarantee on consumers’ satisfaction evaluations. Proposes a model suggesting that the differentiating and signaling properties of a guarantee can influence service provider satisfaction and that a service guarantee may capitalize on the coproduction nature of services to increase consumer self‐satisfaction and overall satisfaction. Finds empirical support that a guarantee can influence post‐consumption evaluations, even in the absence of service failure and the guarantee being invoked, and therefore suggests that a service guarantee may influence consumer satisfaction even if the service is already highly reliable.
Making M&A pay: lessons from the world’s most successful acquirers
Authors: Langford Ron , Brown Collin
Published: February 2004

As the global economy starts to perk up, interest in mergers and acquisitions is once again building. Now is the time to confront the paradox at the heart of M&A. Although study after study has shown that most deals destroy value for the acquirer’s shareholders, why do companies proceed with M&A deals? Why does hope triumph over experience? Because, if certain fundamental rules are followed, M&A can create substantial value for the acquirer’s shareholders. This article shows that every industry has acquisitive exemplars and describes how they extract value from acquisitions for their shareholders. Acquisitive exemplars view M&A as a means to a strategic end, rather than an end in itself. They adopt five decision biases: Set the balance between organic and M&A‐led growth in your corporate agenda, according to the maturity and dynamics of your industry. Challenge the level of acquisitiveness in your business unit’s agendas, and make sure they are aligned with the dynamics of the industry. If the growth strategy needs to be biased toward acquisition, challenge your business at the both corporate and business unit level on the nature of these acquisitions. Develop the key M&A capabilities needed for success in your industry or market segment. Develop a fully accountable process and appoint fully accountable people to integrate your M&A decisions with strategy formulation and performance monitoring.
Prospecting for valuable evidence: why scholarly research can be a goldmine for managers
Authors: Sutton Robert I.
Published: February 2004

States the top reason why managers should take notice of scholarly research is because actions based on sound evidence beat those based on suspect intuition every time. Posits that even academic research at its best is perhaps not that much of a better alternative to guru’s fads and fantasies.
Covenant and continuity: ethno‐symbolism and the myth of divine election
Authors: Cauthen Bruce
Published: February 2004

AbstractThroughout history the myth of divine election – a community's collective belief in its nomination by the deity for a special destiny – has provided a supremely potent catalyst for social solidarity and political mobilization. Yet this sublime stimulator of ethnogenesis, comprehensive demarcator of ethnic identity, and durable guarantor of ethno‐cultural preservation has been largely neglected by many of the most prominent scholars of nationalism who have often discounted the relevance of the myth of divine election with regard to modern nationalist movements. However, Anthony D. Smith has afforded considerable attention to the concept of chosenness and its significance for the nationalist project. This article will assess Smith's contribution to the subject and will examine how his ethno‐symbolic approach has illuminated the ways in which ethnic groups have been infused by the myth of divine election. And, utilizing the ethno‐symbolic perspective, this article will explore how this ineffable and persistent sense of providential destiny continues to influence modern communities and hence international politics.
Behavioral and endocrinological evaluation of music therapy for elderly patients with dementia
Authors: Suzuki Mizue , Kanamori Masao , Watanabe Motoko , Nagasawa Shingo , Kojima Emi , Ooshiro Hajime , Nakahara Daiichirou
Published: February 2004

The present study investigated the effectiveness of music therapy for dementia patients using endocrinological and behavioral evaluations. The study comprised 10 patients with senile dementia who received music therapy; six had Alzheimer's dementia and four had vascular dementia. Music therapy was performed twice a week for 8 consecutive weeks (16 sessions). As a result, total scores on the Mini‐Mental State Examination (MMSE) did not significantly change, but the scores of a subscale, ‘language’, improved significantly. According to the Multidimensional Observation Scale For Elderly Subjects (MOSES), scores for ‘irritability’ decreased significantly. Regarding changes in salivary chromogranin A (CgA) levels, the average was significantly decreased before session 16 compared to after this. These results suggest that the combination of endocrinological measurements, behavioral evaluations and functional assessment methods are useful in evaluating the effects of music therapy in persons with senile dementia.
Measuring the impact of housing on people with schizophrenia
Authors: Browne Graeme , Courtney Mary
Published: February 2004

Review of the available literature, from various countries, on housing options indicates that, for people with a mental illness, boarding houses are the least desirable type of community accommodation and that living in their own home is the most desirable type of accommodation. The present research project provides a more in‐depth examination of people with schizophrenia and the impact of living in their own home compared to living in a boarding house. In this Australian study there were 3231 subjects, 3033 who were living in their own homes and 201 living in boarding house accommodation. The study used two instruments from the Mental Health Classification and Service Cost Project, specifically the Health of the Nation Outcomes Scale, which is a measure of current symptoms, and a shortened version of the Life Skills Profile, which measures global level of functioning. Results indicated that while there were no differences in the level of psychiatric symptoms experienced, people living in boarding houses had less access to social support, meaningful activities and work; they also had a significantly lower level of global functioning. These findings contradict the conventional wisdom that people with schizophrenia resort to living in boarding houses because of their level of disability and highlights an area of potential intervention for community health services.