The mechanism of the IndolPhos-Rh-catalyzed asymmetric hydrogenation of prochiral olefins has been investigated by means of X-ray crystal structure determination, kinetic measurements, high-pressure NMR spectroscopy, and DFT calculations. The mechanistic study indicates that the reaction follows an unsaturate/dihydride mechanism according to Michaelis-Menten kinetics. A large value of KM (KM=5.01+-0.16 M) is obtained, which indicates that the Rh-solvate complex is the catalyst resting state, which has been observed by high-pressure NMR spectroscopy. DFT calculations on the substrate-catalyst complexes, which are undetectable by experimental means, suggest that the major substrate-catalyst complex leads to the product. Such a mechanism is in accordance with previous studies on the mechanism...
The reactions of the hydroxyl radical with hydrocarbons and fluoro hydrocarbons attract significant attention due to their importance in atmospheric chemistry. Its reactions with the two first hydrocarbons, methane and ethane are of special interest because, owing to the small size of these systems, they serve as a prototype for the theoretical studies of hydrogen abstraction reactions. In this work, the reaction and activation energies of the hydroxyl radical abstraction reaction with methane and ethane have been investigated by correlated ab initio and DFT methods. The DFT reaction energies are in good agreement with experimental values, but the activation energies may be in severe error. (authors) 22 refs.
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interaction to the magnetic structure in USb2 compound. The result shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons.
Geometry optimizations of the quinoline-based platinum (II) complexes (1-R, 2-R) and their related calculations on excited state energies, electronic absorption spectra and orbital populations have been carried out by the hybrid density functional theory (DFT) and its time-dependent approach (TD-DFT). The solvent effects on excitation energies are taken into account using the conductor-like polarizable continuum model (C-PCM). The red-shifted level of absorption bands, energy gaps between the singlet ground state (S1) and the first triplet excited state (T1) for each examined complex have been elaborated thoroughly as well. We find that the quinoline-8-thoil (ligand 2) induces much more significant red-shifted level than 8-hydroxyquinoline (ligand 1), and singlet-triplet splitting energy g...
We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.
In the present study the optical properties of co-evaporated indium sulfide thin films are investigated. Before being optically characterized, the composition as well as the crystalline properties of the film have been checked with the help of energy dispersive spectroscopy (EDX) and X-Ray diffraction (XRD) analyses. The optical absorption coefficient ? of this indium sulfide film has been deduced from reflectivity R(?) and transmission T(?) measurements. The fit of the curve representing ?(h?) suggests that the ?-In2S3 has an indirect bandgap of 2.01?eV. Density functional theory (DFT) calculations are performed on this indium sulfide compound, using TB-LMTO code. Through these band structure investigations, an indirect bandgap is predicted as observed experimentally. The top of the valen...
First-principles density functional theory (DFT) based calculations were performed to study the electronic and cohesive properties of all the intermediate ordered phases appearing in the transformation from bcc-based #beta# to hexagonal ordered #omega# phase in Zr_3Al alloy. Full-potential linear augmented plane wave (FPLAPW) method under the GGA was employed to establish the stability hierarchy and structure-property correlations. Further, effective pair potentials upto the fourth nearest neighbours were extracted, which, subsequently, were used for the thermodynamics analysis of the thermally-induced #beta##->##omega# transformation. The lattice collapse mechanism involving the concept of the onset of a displacement wave where the extent of collapse is viewed as an amplification of the displacement wave was employed for further analysis. (author)
Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.
Previously, we demonstrated that the lithium ion conduction in the perovskite-type manganese fluoride is attributed to counter cation-site vacancy mechanism. The divalent counter cation-doped KxBa(1-x)/2MnF3 was theoretically predicted as the lithium ion conductor in the perovskite-type manganese fluoride. In this study, we considered the oxygen doping for KxBa(1-x)/2MnF3 to realize the higher lithium ion conductivity. It is because lithium ion forms the stronger ionic bond with the doped oxygen anion. The hybrid-DFT calculations were performed to investigate the lithium ion conduction in the oxygen-doped KxBa(1-x)/2MnF3. The calculation results were discussed from the viewpoints of the potential energy curve, electron densities, and charge and spin densities. The effect of the lithium ion...
Potassium dichlorido(l-prolinato)platinate(II), K[PtCl"2(l-pro"?"H)] (1), and chlorido(dimethyl sulfoxide)(l-prolinato)platinum(II), [PtCl(l-pro"?"H)(dmso)] (2), were synthesized by ligand substitution reactions. Both complexes were characterized by ^1H, ^1^3C, and ^1^9^5Pt NMR spectroscopy, elemental analysis, and HR-ESI-MS. The molecular structures of 1 and 2 were determined by single crystal X-ray diffraction, proving bidentate coordinated l-prolinato ligand and SP-4-4 configuration of 2a. With the help of DFT calculations stability of possible isomers of 1 and 2 was studied. A considerable difference in the in vitro cytotoxicity of 1 versus 2a (exchange of one chlorido ligand by dmso) against four human cancer cell lines was found.
A series of new non-discoid chiral copper(ii)-salen type complexes, [Cu((4-CnH2n+1O)2salen)], n = 14, 16, 18 and salen = N,N'-cyclohexane bis (salicylideneiminato), containing 4-substituted alkoxy tails in the side aromatic rings and a cyclohexane spacer, have been prepared and their mesogenic properties investigated. The compounds were characterised by Fourier transform infra-red spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy, UV-vis spectroscopy and fast atom bombardment mass spectrometry. Mesomorphic properties of these compounds were studied by polarising optical microscopy, differential scanning calorimetry and X-ray diffraction (XRD). The ligands are non-mesogenic but the complexes exhibited enantiotropic rectangular columnar mesophases (Colr) with extended temperat...
The local environment of Ca dopants in barium titanate, BaTiO_3, is investigated by Ca K-edge X-ray absorption near-edge structure (XANES) spectroscopy. In conjunction with experiments, first-principles calculations by two methods are systematically made. The projector-augmented wave (PAW) method is used to optimize the local structure and obtain the formation energy. The augmented plane wave plus local orbitals method is adopted to obtain theoretical XANES spectra. A comparison between experimental and theoretical XANES spectra shows that Ca dopants are located at the Ba"2"+ sites forming Ca"2"+. Formation energy calculations of Ca doped BaTiO_3 by the PAW method also give the same results. The Ca atom in BaTiO_3 is off-centering in comparison with the Ba site in BaTiO_3. The off-centering of Ca atom is newly revealed by the combination of XANES spectroscopy and first-principles DFT calculations.
The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...
We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...
Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available
Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.
We report a study of the nonmetal-metal transition of free-standing Pd{sub N} clusters (2{<=}N{<=}21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical tight-binding (TB) model and an ab initio DFT pseudopotential model. The calculated critical size for the metallic transition decreases rapidly with the temperature and an oscillatory dependence with the cluster size is obtained, particularly in the DFT approach. The TB model describes the metallic behavior for cluster sizes beyond N{approx}12 well. Our obtained critical size at room temperature is of the order of the experimental estimation.
The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)
A novel difunctional acylhydrazone has been synthesized by the reaction of 5-methylisoxazole-4-carboyl hydrazine with benzaldehyde and characterized by X-ray crystallography and spectroscopy. The obtained results demonstrate the crystal belongs to triclinic, space group Formula Not Shown . Moreover, the spectroscopic properties were evaluated through density functional theory (DFT) and time-dependent density functional theory (TD DFT) calculations. The results reveal that UV-Vis absorption peaks at 194, 217.5 and 290.5nm are mainly attributed to (p, p)p*, partly (p, p)p* and partly pp*, and predominantly pp*, respectively, with intraligand charge-transfer transition (ILCT) character. The fluorescence emission peak at 485.96nm should be assigned to ILCT. In addition, the results of antibact...
Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent agreement with photoelectron spectroscopy ...
A joint experimental and theoretical analyses based on the grounds of DFT anharmonic potential and the use of a variational method allow us to revisit and assign the gas phase spectra of vinylarsine in the mid-IR area until 6300cm-1. Several weak and very weak bands corresponding to overtones and combinations are newly observed and assigned in complement to the fundamental bands.
Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954 eV for Mg. We report the geo...
We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials
We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function for the electron-hole pair, the Bethe-Salpeter equation (BSE), within the all-electron full-potential linearized augmented plane wave method (FPLAPW). The excited states are calculated for the Li K-edge in the insulating solids LiF, Li_2O and Li_2S, and absorption spectra are compared with independent particle results using the random phase approximation (RPA), as well as supercell calculations using the core-hole approximation within density functional theory (DFT). The binding energies of strongly bound excitations are determined in the materials, and core-exciton wavefunctions are demonstrated for LiF.
The portion of the potential energy surface (PES) of acetylacetone relevant for the intramolecular proton transfer reaction is studied using ab initio and DFT methods. The best estimate of the barrier governing proton transfer was found to be 3.4 kcal mol{sup -1} at the MP4(FC)/6-311 + G(2d,2p)//MP2(FC)/6-311 + G(2d,2p) level of theory. Six stationary points on the PES were characterized as well as the reaction paths connecting these points. Special attention paid to the pathway of intramolecular proton transfer reveals that the internal rotation of the methyl group adjacent to the carbonyl group and the proton transfer reaction are consecutive processes.
Effect of Abdominal Active Can on DFTs. Introduction: Many patients with implantable cardioverter defibrillators (ICDs) have older lead systems, which are usually not replaced at the time of pulse generator replacement unless a malfunction is noted. Therefore, optimization of defibrillation with these lead systems is clinically important. The objective of this prospective study was to determine if an active abdominal pulse generator (Can) affects chronic defibrillation thresholds (DFTs) with a dual-coil, transvenous ICD lead system. Methods and Results: The study population consisted of 39 patients who presented for routine abdominal pulse generator replacement. Each patient underwent two assessments of DFT using a step-down protocol, with the order of testing randomized. The distal right ...
A predictive reactivity of Cp_2An(IV)Me_2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclo-metalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate. (authors)
The adsorption of glycolate anions at sputtered gold thin-film electrodes was studied in perchloric acid solutions by cyclic voltammetry experiments combined with in situ Surface Enhanced Raman Scattering (SERS) and Surface Enhanced Infrared Reflection Absorption Spectroscopy under attenuated total reflection conditions (ATR-SEIRAS). Theoretical harmonic vibrational frequencies and band intensities obtained from B3LYP/LANL2DZ,6-31+G(d) calculations for glycolate species adsorbed on Au clusters with (1 1 1) orientation were used to interpret the experimental spectra. Vibrational data confirm the bidentate bonding of glycolate anions through the oxygen atoms of the carboxylate group, in a bridge configuration with the OCO plane perpendicular to the metal surface. The DFT calculations show no significant effect of the total charge of the metal cluster-adsorbate adduct on the vibrational frequencies of adsorbed glycolate species. The infrared experimental study is ...
Indoline dye sensitizers were designed and studied theoretically to increase molar extinction coefficients in the visible to near infrared region for solar-cell devices. To gain insight into dye sensitizers' structural, electronic, and optical properties, DFT/TDDFT calculations were performed on a series of dye sensitizers derived from the D149. The good agreement between the experimental and TDDFT calculated absorption spectra of the D149 sensitizer allowed us to provide a detailed assessment of the main spectral features of a series of dye sensitizers. Increase in the conjugation length resulted in a more red-shifted spectral response and less positive oxidation potential than that of the D149. The dye with the dimethylfluorene group showed stronger absorption bands due to a large dipole moment. The calculated dipoles for the dye series correlate well with the observed strong absorption bands of the electronic spectra. These results provided useful clues for the ...
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and HOMO-LUMO gaps of the ground-state configurations are carefully ...
Platinum(II) complexes (1-4) with bidentate N,Nprime-ligands, O,Oprime-dialkyl esters (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), of (S,S)-ethylenediamine-N,Nprime-di-2-(4-methyl)pentanoic acid were synthesized and characterized by IR, 1H NMR and 13C NMR spectroscopy and elemental analysis. DFT calculations were performed for the complexes and it was found that only one diastereoisomer could be formed. Cytotoxic activity of complexes 1-4 was determined against chronic lymphocytic leukemia cells (CLL) and compared to the activity of ligand precursors L12HCl-L42HCl and corresponding palladium(II) complexes, [PdCl2L] (L = L1-L4). The complexes were found to exhibit significantly higher antitumor activities than cisplatin on CLL cells. Cytotoxic effect of platinum(II) complexes on CLL cel...
The surface enhanced Raman scattering (SERS) spectra of piperidine in silver colloid solution, on roughened silver electrode and on roughened silver electrode modified with silver nanoparticles were studied, and the high-quality SERS spectra of piperidine on roughened silver electrode modified with silver nanoparticles were obtained for the first time. Surface selection rules derived from the EM enhancement model were employed to deduce piperidine orientations on the different surfaces. On the basis of this, two models of piperidine adsorbed on the surface of the silver nanoparticles were built, and DFT-B3PW91/LanL2dz was applied to calculate the Raman frequencies. It proves that, at higher potential values, the piperidine is perpendicularly standing on the roughened silver electrode surface though its lone-electron pair, but in silver colloid solution and on the silver nanoparticles modified silver electrode the piperidine molecular lies flat on the silver ...
Some kind of one-dimensional (1D) peanut-shaped fullerene polymers (PSFPs) exhibit metallic properties, but their occurrence conditions are not yet clarified. By using the VASP (Vienna ab-initio simulation package) with density functional theory (DFT) and projector augmented wave (PAW) method, we have performed first-principles electronic structure calculations of four basic 1D PSFPs, T1, T2, T6, and T7 (the name of T1-T6 is the same as that of Wang et al. [9]) and two associated 1D PSFPs, T1SW1 and T6SW that are created by generalized Stone-Wales transformation (GSW) from T1 and T6. We found that almost regular six-membered rings connected throughout the tube are necessary to get metallic properties for the 1D PSFPs, although there may be several other conditions to expect metallic proper...
The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.
Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of ?-Pu. The fractions of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization or itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, the performance of the hybrid density functionals does not seem superior to pure ...
Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, the performance of the hybrid density functionals does not seem superior to ...
The dodecanuclear rhenium anionic complex with terminal hydroxo ligands [Re12CS17(OH)6]6? was obtained by the reaction of K6[Re12CS17(CN)6]?20H2O with molten KOH at 300 ?C. The cluster complex was crystallized as a potassium salt from aqueous solution. The reaction between K6[Re12CS17(OH)6]?4H2O and Na2S2O4 in water under reflux results in the formation of the complex Na12[Re12CS17(SO3)6]?48.5H2O. Both new compounds were characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The electronic structure of [Re12CS17(OH)6]6? was also elucidated by DFT calculation
Abstract Coordination compounds [Ru(acac)2(Q)] (acac=acetylacetonate; Q=o-benzoquinone) were prepared as complexes 1 (Q=o-benzoquinone), 2 (Q=3-methoxy-o-benzoquinone), 3 (Q=4-methyl-o-benzoquinone), and 4 (Q=3,5-di-tert-butyl-o-benzoquinone). The structures of 1 and 2 were determined to reveal a RuIII/o-benzosemiquinone formulation, supported by analysis of experimental data (spectroscopy, magnetism of 1) and by DFT calculations. The S=1 ground state calculated for 1 stands in contrast to the spin-paired analogues with arylimino-o-benzosemiquinonato and diimino-o-benzoquinone ligands. The close contacts of about 5.3- possible between semiquinone O atoms of different molecules in the crystal allow for intermolecular spin-spin interactions and an overall complex magnetic behavior. One quasi...
Magnetic coupling between two or more metal centers is an important facet of d- and f-block transition metal chemistry due to its implications in chemical bonding. With respect to actinide metals, magnetic coupling between polymetallic actinide centers is less well-known. Of the few documented examples, only one bimetallic uranium(V) complex, [(MeC{sub 5}H{sub 4}){sub 2}U]{sub 2}[{mu}-1,4-N{sub 2}C{sub 6}H{sub 4}] (1), has unequivocally demonstrated antiferromagnetic coupling. This complex employs a {pi}-conjugated 1,4-phenylenedimide ligand system which bridges the two f{sup 1}-metal centers and enables antiferromagentic coupling between unpaired f-e1ectrons residing in a {pi}-symmetry orbital. In this communication, we report the synthesis of a dimeric bis(imido) uranium(V) iodide complex and demonstrate with magnetic susceptibility measurements and density functional theory (DFT) calculations that the f{sup 1}-uranium centers display antiferromagnetic coupling ...
Ammonia adsorption on the external surface of C_3_0B_1_5N_1_5 heterofullerene was studied using density functional calculations. Three models of the ammonia-attached C_3_0B_1_5N_1_5 together with the perfect model were optimized at the B3LYP/6-31G"* level. The optimization process reveals that dramatic influences occurred for the geometrical structure of C_3_0B_1_5N_1_5 after ammonia adsorption; the B atom relaxes outwardly and consequently the heterofullerene distorts from the spherical form in the adsorption sites. The chemical shielding (CS) tensors and nuclear quadrupole coupling constants of B and N nuclei were calculated at the B3LYP/6-311G"*"* level. Our calculations reveal that the B atom is chemically bonded to NH_3 molecule. The B atom in the NH_3-attached form has the largest chemical shielding isotropic (CSI) value among the other boron nuclei. The C_Q parameters of B nuclei at the interaction sites are significantly decreased after ammonia adsorption.
Over the last decade {\\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matter under extreme conditions. We apply modern computational chemistry and materials science methods, including density functional theory (DFT), to solve lingering problems in the modeling of the dense atmospheres of cool white dwarfs ($T_{\\rm eff}\\rm <7000 \\, K$). Our work on the revision and improvements of the absorption mechanisms in the hydrogen and helium dominated atmospheres resulted in a new set of atmosphere models. By inclusion of the Ly-$\\rm \\alpha$ red wing opacity we successfully fitted the entire spectral energy distributions of known cool DA stars. In the subsequent work we fitted the majority of the coolest stars with hydrogen-rich models. This finding challenges our understanding of the spectral evolution of cool white dwarfs. We discuss a few ...
A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...
We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. ...
The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, except the 259 cm-1 out-of-plane CCC bending mode, were found to ...
The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, except the 259 cm-1 out-of-plane CCC bending mode, were found to ...
The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A selection of the better ...
Density functional theory (DFT) calculations using plane-wave methods were performed for Li2TMPO4F, LiTMPO4F, and TMPO4F (TM=V, Mn, Fe, Co, Ni) to address their feasibility as high-voltage cathode materials for Li ion batteries. We computed their structures, average open circuit voltages, and thermal stabilities for step-wise lithiation/delithation (discharge/charge) reactions. The calculations suggest that associated unit cell volume changes are sufficiently small on average that they should not be a significant detriment to the mechanical stability of the cathode. In the nickel case, the calculated volume change deviates from the series by increasing during the first delithiation step. Furthermore, the volume increases for all these materials during the second delithiation step. It appears that the relative volume expansion in the series during delithiation is directly correlated to the degree of d-p rehybridization. Predicted average open circuit voltages ...
INTRODUCTIONSexual dysfunction symptoms in patients with HIV have not been fully investigated in Brazil.OBJECTIVESTo investigate the association...Full Text Available
The results obtained from experimental investigations and mathematical simulation of horizontal steam generators are considered. Recommendations for continuing these works are given.
Purpose:This study investigated the penetration of lidocaine around and through a sutured incision following the application of iontophoretic and passive patches...Full Text Available
On 30th September 1985, the Federal Government licensed site suitability investigations in three areas with a view to disposal of low-and intermediate-level radioactive waste. This report gives a summary overview of the corresponding research programme at the potential site Oberbauenstock. The first part of the report begins with some comments on the concept of radioactive waste disposal and on some basic aspects of site-specific exploration and investigation. The governmental decision of 30th September and Nagra's two-phase investigation concept are then briefly considered. To close, the objectives of investigation phase I are outlined and possible results are briefly discussed. The research programme developed for investigation of the potential site at Oberbauenstock is presented in the second part of the report. Besides geological and hydrogeological ...
The temperature dependence of the dislocation mobility threshold is investigated on the basis of a dislocation model suggested by Frenkel-Kontorova. The critical value is obtained for the stress/temperature, corresponding to the dislocation depinning from its equilibrium position. The universal behaviour of a barrier height at finite stress and temperature is revealed and investigated.
Intended to be used in conjunction with ANSI N45.2 and addresses the quality assurance requirements related to subsurface investigations performed prior to the construction of safety related structures of nuclear power plants.
AbstractWe combined atomistic molecular-dynamics simulations with quantum-mechanical calculations to investigate the sequence dependence of the stretching behavior of duplex DNA. Our...Full Text Available
This paper presents the results of a meta-analysis for a single investigator examining the effectiveness of the modified therapeutic community (MTC) for clients with co-occurring substance use...Full Text Available
Materials World Network: Cooperative Activity in Materials Research between US Investigators and ... Program Title: Materials World Network: Cooperative Activity in Materials Research between US ...
Materials World Network: Cooperative Activity in Materials Research between US Investigators and ... Program Title: Materials World Network: Cooperative Activity in Materials Research between US ...
Laser-assisted processing techniques for producing high-quality solar cell metallization patterns are being investigated, developed, and characterized. The tasks comprising these investigations are outlined.
An ex-employee's claims that inadequate enforcement of radiation safety regulations allowed excess radiation exposure thereby causing his deteriorating health was not substantiated by a thorough investigation.
An anomaly in the continuous X-ray (CXR) response of filled cables is described. A systematic investigation of this anomaly is pursued with a single cable type and a model explaining the anomaly is presented. The effect of the anomaly on the accuracy of CXR measurement of SGEMP response is discussed.
An investigation was conducted to determine the cause of coating residue found in the test gun chambers during qualification firing of 120-mm combustible cartridge case (CCC) ammunition for the MlAl/A2 main battle tank. The CCC is coated with a clear epox...
We investigated the pathophysiological mechanism by proteomic approach as a possible tool to detect the marker proteins to develop lower urinary tract symptoms following bladder outlet obstruction (BOO)....Full Text Available
An experimental investigation of heat transfer characteristics for various configurations of air jets impinging on the leading edge inner surface of a gas turbine blade wall is presented. Three configurations were investigated, namely a slot jet, a round ...
Enzootic Glassers's disease was investigated to study the epidemiology of the disease strains on a farm where it presented a problem. Restriction endonuclease fingerprinting (REF) analysis technique...Full Text Available
Despite numerous investigations, the correlation between alcohol consumption and prostate cancer risk remains uncertain. This report investigated the association between alcohol use and prostate cancer...Full Text Available
The purpose of this study was to investigate the sources of ATP in the 1A arteriole, and to investigate age-related changes in ATP overflow. Arterioles (1A) from the red portion of the gastrocnemius...Full Text Available
BackgroundThe ACTION study (Attention deficit hyperactivity disorder Controlled Trial Investigation Of a Non-stimulant) is a multi-center, double-blind, randomized...Full Text Available
...identity of a confidential source and, in the case of...lawful national security intelligence investigation, confidential...only by the confidential source, (v) Disclose investigative...exercise its authority to open to public observation...requires that the meeting be...
... Screening Adjudication Monitoring Applicants of Information Behavior II I Conducting Investigations ... Applicants of Information Behavior Conducting ...
... Although other authors had made cross-spectral density measurements, Corcos pointed to the importance of this function as indicative of the true ...
Spline functions associated with a general linear differential operator L which interpolate prescribed data with respect to arbitrary linear functionals are investigated. (Author)
... taker', Adaptive Behavior. In submission. Behavioral Disorders: Diagnostic Criteria for Re- Breazeal (Ferrell), C. (1998), A Motivational System for ...
... Problems investigated in various basic hollowness ratios include ultimate compressive strength, fatigue properties, buckling characteristics, and ...
... in the Vicinity of Terminal Areas," Ph. ... WORDS Operations Research Stochastic processes Mathematical ... theory Aut',matic control Queueing theory ...
Aluminum electrolytic capacitors, with 1043 failures, are a good example. Also, categorization by size and voltage reveals such frequencies of occurrence as ...
... analyzer section for angle resolved measurements, and a thin film evaporator with a quartz crystal microbalance to measure the mass deposition. ...
The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180{sup 0} to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated.
In this paper the possibility of using the test facility PACTEL concerning the investigations of thermal hydraulic special features of the primary coolant circuit acting under natural circulation is under consideration. It is suggested to study a stratification phenomenon of a coolant in upper plenum of a reactor and also a horizontal steam generator (HSG) hot collector temperature regime. For such investigations the facility must be modified. It is shown that this work is not large and expensive, as the facility is a lightly suitable unit for different researches. (orig.)
In this paper the possibility of using the test facility PACTEL concerning the investigations of thermal hydraulic special features of the primary coolant circuit acting under natural circulation is under consideration. It is suggested to study a stratification phenomenon of a coolant in upper plenum of a reactor and also a horizontal steam generator (HSG) hot collector temperature regime. For such investigations the facility must be modified. It is shown that this work is not large and expensive, as the facility is a lightly suitable unit for different researches. (orig.)
The feasibility of using a thermoplastic-powder metallurgy technique for the fabrication of porous niobium rods was investigated. Some early problems were overcome to successfully extrude the polymer coated niobium powder into long lengths. The effects of certain process variables were investigated. Residual porosity and extrusion pressure were found to be regulated by the polymer fraction. The procedures for taking the extruded polystyrene--niobium rods through the heat treatments to the final, tin infiltrated stage are explained.
Chapter one is a review of the relevant literature. In chapter two the coordination chemistry of biphenyl-tailed terpyridines with octahedral metal dications is investigated. The effect of different metal ions on their aggregation modes in the solid state is also investigated. In chapter three the coordination chemistry of polyaryl-tailed terpyridines with octahedral metal dications is investigated. The effect of different aryl tails on their aggregation modes in the solid state is investigated. In chapter four the pi-pi aggregation of molecular boxes through biphenyl tails is studied. In chapter five the immobilisation of aryl tailed complexes into polyelectrolyte films has been investigated, and the arrangement of these complexes in the films has been compared with same complexes in the crystal, thus moving from three dimensional aggregation to two dimensions.
Several possibilities of the use of molecular models in quantum-chemical investigations of the structure of defect centers on the surfaces of oxides on nontransition elements have been illustrated. There has been a special discussion of the assumption of the local nature of the chemical interactions in these systems, which underlies such an approach, and of the consequent laws governing the formation of their lattices in the example cases of zeolites, kaolinites, and comparable boron- and aluminum-containing oxides. A quantum-chemical interpretation of the body of experimental data from investigations of the dehydroxylation of H forms of zeolites has been given. The structure of the Lewis acid centers formed as a result, and their chemisorption properties, have been discussed.
The Dental Investigation Service, USAFSAM, Brooks AFB, has outlined the need for a vacuum unit to be used in the Air Force dental clinics. The unit must be capable of effectively picking up mercury and at the same time not redistribute mercury vapors throughout the dental clinic during normal operations or mercury-spill situations. The Dental Investigation Service selected the MRS-3, Minuteman Mercury Recovery System, product of American Cleaning Equipment Corporation as the mercury vacuum to be used for T E. The USAF OEHL/ECH was requested by the Dental Investigation Service to perform the T E on the MRS-3 for possible health hazards due to exposures of mercury vapors.
Preliminary experiments have been performed to investigate the effects of radiative cooling on plasma jets. Thin (3 um - 5 um) conical shells were irradiated with an intense laser, driving jets with velocities > 100 km/s. Through use of different target materials - aluminium, copper and gold - the degree of radiative losses was altered, and their importance for jet collimation investigated. A number of temporally resoved optical diagnostics was used, providing information about the jet evolution. Gold jets were seen to be narrower than those from copper targets, while aluminium targets produced the least collimated flows.
Formation of basis type texture at rolling of Ti + 6.0% Al + 1.5% V + 1.0% Mo system alloy with initial prismatic texture is investigated by means of X-ray techniques. Variations of mechanical features in titanium alloy sheets depending on temperature-deformation conditions of rolling are investigated. Main conditions for formation of the intensive basis textute in the investigated alloy sheets which provides for isotropic properties in sheet plane and for increased ductility are determined.
Investigations were carried out of radiation level around Daya Bay for three times since the construction and operation Daya bay Nuclear Power Station and Lingao Nuclear Power Station in Guangdong province in the period of 1988 to 2000. As shown by the investigation, the radiation levels both in the field and indoors remains unchanged by and large but slightly higher than before on the roads. Also this paper gives the analysis of variations in radiation levels form site to site and from time to time. It was shown that, for environmental ? radiation levels measurements, typical measuring sites have significant impact on the meaning results. (authors)
... These assumptions are quantitatively investigated by calculating tie icldti\\e inportance of ... A modified lon-shore current model is used to study the ...
PURPOSE: The purpose of this investigation was to study vision in albinism from 3 perspectives: first, to determine the characteristics of grating acuity development in children with albinism; second,...Full Text Available
PurposeTo investigate the utility of consistency metrics, such as inverse consistency, in contour based deformable registration error analysis.Full Text Available
The National Coal Board is investigating two routes for production of oils: liquid solvent extraction and supercritical gas extraction. Both these processes are considered ready for major development to plants of the 1 t/h scale.
BackgroundOver the past decade, many investigators have used sophisticated time series tools for the analysis of genomic sequences. Specifically, the correlation of the nucleotide...Full Text Available
We investigate the solar neutrino problem in the scenario of three generation neutrino oscillation hypothesis, taking into account other phenomenological constraints to the neutrino mixing and mass parameters.
The vomeronasal organ is the primary olfactory organ that detects sexual pheromones in mammals. We investigated the anatomy of the vomeronasal organ of the tammar wallaby (Macropus eugenii),...Full Text Available
The removal of toxic metals and alkalis from gas streams at high temperatures was investigated. This is important for the development of coal-fired combined cycle power generation systems.
... pr h-±rmt of im- mersion isotherme of VIMCH and VYHH which are film formers of v,,yl chloride-acetate co-r~polyrers. VMCH has excelleut r.Lr-dry ...
... Program: Quallion Matrix Design (small cells) - Investigate the feasibly of a hybrid battery matrix composed of small D-sized cells for use in HEVs ...
In order to investigate the role of mononuclear cells in infiltrates during the initial stages of atherogenesis, the authors have studied by immunohistochemical methods the aortas and coronary vessels...Full Text Available
Some biological effects of hypoglycin-A, a compound isolated from the fruit of Blighia sapida, have been investigated. Administration of this compound to animals caused drowsiness...Full Text Available
Decreased membrane rigidity is one of the characteristics of malignant cells, resulting in part from the desaturation of stearic acid into oleic acid. In this study we investigated the influence of...Full Text Available
... detonation velocity of single base and double base propellants is investigated using two types ofignititor; an exploding bridgewire detonator with C4 ...
BackgroundTo investigate the significance of Aurora B expression in hepatocellular carcinoma (HCC).MethodsThe Aurora B and Aurora...Full Text Available
Objective. We aim to investigate whether centenarians are significantly more resilient than younger elders and whether resilience significantly contributes to exceptional longevity....Full Text Available
BackgroundMost reports of scientific misconduct have been focused on principal investigators and other scientists (e.g., biostatisticians) involved in the research...Full Text Available
The regulation of the glutamate dehydrogenases was investigated in wild-type Neurospora crassa and two classes of mutants altered in the assimilation of inorganic nitrogen, as either...Full Text Available
This laboratory exercise demonstrates some basic principles in parasitology by using experimental studies of the relationship of Hymenolepis diminuta with its rodent host.
The hydraulic characteristics of flow control multiorifice plate assemblies designed for the FFTF reactor were investigated. The pressure drop flowrate characteristics determined in the test are presented. (JWR)
The relative transport capabilities of the cells of the root periphery and cortex were investigated using a variety of experimental techniques. Brief (30 seconds to 1 minute) exposures with the penetrating...Full Text Available
ObjectiveTo investigate the prevalence of complicating and concurrent morbidities in older diabetic patients and to evaluate to what extent their occurrence affects the burden of...Full Text Available
ObjectiveTo examine the extent to which the regional and neighborhood distribution of HIV in Tanzania is caused by the differential distribution of individual correlates...Full Text Available
Four experiments investigated the novel issue of learning to accommodate the coarticulated nature of speech. Experiment 1 established a co-articulatory mismatch effect for a set of vowel-consonant...Full Text Available
Neutron yield from the "6","7Li + d reaction has been investigated. The results obtained are compared with the published data with some theoretical models.
Morphological, Electrophysiological and Behavioral Investigations of the Nervous Tissue Developed from the Embryonic Matrix Zone Cells of the Dorsolateral Walls of Lateral Ventricles, Implanted into the Lesioned Regions of the Adult Rat's Brain
operations and defense, personnel misconduct (PM), law enforcement (LE), and counterintelligence (CI) investigations.- At any time, the USG may inspect and seize data stored on...
Background and PurposeHemodynamic insults at arterial bifurcations are hypothesized to play a key role in intracranial aneurysm formation. This study investigates...Full Text Available
...Systems, UWA investigating rate uplift effects of shallow foundation systems associated with high voltage transmission line support towers. This work was funded by National Grid, ...
... of electronic systems (satellite terminals, radio and ... helps organizations investigate the stochastic nature of ... cycle time, maximum queue lengths, and ...
The quest to understand why we age has given rise to numerous lines of investigation that have gradually converged to include metabolic control by mitochondrial activity as a major player. That...Full Text Available
The solution of the continuity equation in practical applications is examined, and the values needed for approximate solutions are indicated. Models are adequate for investigating what could happen,...Full Text Available
We investigate the magnetic braking of the core of an axisymmetric cloud whose rotation axis is parallel to the mean direction of the magnetic field. (author).
alloy (Ti6242 or T i l 100) was utilized. Parametric studies were performed to investigate variations of displacements and stresses with sandwich and ...
The Liver Carcinogenesis Section uses the modern technologies of molecular biology, cell biology, protein chemistry and genetics to investigate the biochemical and genetic pathways involved in human liver cancer.
Photoautotrophic and mixotrophic growth of Lemna paucicostata Hegelm. 6746 (formerly Lemna perpusilla Torr. 6746) was investigated to establish standardized conditions...Full Text Available
ObjectiveThis study investigated transitions between drinking and nondrinking during the first 12 months following treatment and whether transitions in posttreatment...Full Text Available
The present study investigated the association of mothers’ marriage and changes in young adolescents’ cognitive and socioemotional development and changes in family processes....Full Text Available
A nonneutral /sup 7/Li/sup +/ ion plasma is described in which ion Langmuir waves are observed for the first time. The properties of these waves near the Brillouin density limit are investigated.
The present paper describes the investigation of the static and dynamic behaviour of an 20 kW pressure electrolyser. The suitability for a coupled operating regime with a wind power plant has been investigated. At first the static behaviour has been analysed. The share of oxygen in hydrogen gas is lower than 0.5 Vol%. But reaching the temperature limit of 80 deg C leads to a switch off of the electrolyser, accompanied by an increase of the oxygen share in hydrogen gas up to 1.3 Vol%. Therefore, an improvement of the cooling system is necessary. Secondly, the electrolyser was excited by different step signals for load changing and finally, the electrolyser has been controlled by the power output signal of the windmill. The investigation shows that the development of a direct coupled wind-hydrogen system will be only a small step. 3 refs.
Lead is contained as trace element in uranium ores and propagates throughout the production process to intermediate products like yellow cake or uranium oxide. The lead isotopes in such material originate from two sources: natural lead and radiogenic lead. The variability of the isotopic composition of lead in ores and yellow cakes was studied and the applicability of this parameter for nuclear forensic investigations was investigated. Furthermore, the chemical impurities contained in these materials were measured in order to identify characteristic differences between materials from different mines. For the samples investigated, it could be shown, that the lead isotopic composition varies largely from mine to mine and it may be used as one of the parameters to distinguish between materials of different origins. Some of the chemical impurities show a similar pattern and support the conclusions drawn from the lead isotope ...
PurposeUltrasonically measured intravesical prostatic protrusion may be a promising noninvasive method of assessing bladder outlet obstruction. Previous investigations...Full Text Available
Fungal and oomycete populations and their dynamics were investigated following the introduction of the biocontrol agent Pythium oligandrum into the rhizosphere of tomato plants grown...Full Text Available
A number of biological agents are available or being investigated for the treatment of asthma and rhinitis. The safety profiles of these biologic agents, which may modify allergic and immunological...Full Text Available
Located in the Front Range of the Rocky Mountains approximately 30 miles west of Denver, in the community of Idaho Springs, are a series of thermal springs and wells. The temperature of these waters ranges from a low of 68/sup 0/F (20/sup 0/C) to a high of 127/sup 0/F (53/sup 0/C). To define the hydrothermal conditions of the Idaho Springs region in 1980, an investigation consisting of electrical geophysical surveys, soil mercury geochemical surveys, and reconnaissance geological and hydrogeological investigations was made. Due to topographic and cultural restrictions, the investigation was limited to the immediate area surrounding the thermal springs at the Indian Springs Resort. The bedrock of the region is faulted and fractured metamorphosed Precambrian gneisses and schists, locally intruded by Tertiary age plutons and dikes. The investigation showed that the thermal waters most likely are fault ...
AIM: To search the independent factors determining gastric juice acidity and to investigate the acidity of gastric juices in various benign and malignant upper gastrointestinal diseases.METHODS:...Full Text Available
Investigation of the Macrokinetics and Energy of Self-Oscillatory Processes of Gasless Combustion of Solid Fuel Mixtures Proposed for the Design of Short-Term Thermal and Electrical Sources
AIM: To investigate the effects of gallbladder stones on motor functions of the gallbladder and the dynamics of bile flow in asymptomatic gallstone disease.METHODS: Quantitative hepatobiliary...Full Text Available
An application that provides a flexible and easy to use interface to the GAMMA spectral simulation package is described that is targeted at investigations using in vivo MR spectroscopic methods....Full Text Available
We used neuropsychological tasks to investigate integrity of brain circuits linking orbitofrontal cortex and amygdala (orbitofrontal-amygdala), and dorsolateral prefrontal cortex and hippocampus...Full Text Available
Background and AimsAnnonaceae are one of the largest families of Magnoliales. This study investigates the comparative floral development of 15 species to understand the basis for...Full Text Available
In this paper, the superfield formulation of quantum gauge theories, recently proposed, is reviewed and developed. The extended BRS symmetry, which comes out quite naturally in this formulation, is investigated.
Results showed that a simple yttrium coating offered more potential for ... was from 70 to 150 K (125' to 200' F) above that for the yttrium coating. ...
Mixed convection heat transfer from longitudinal fins inside a horizontal channel has been investigated for a wide range of modified Rayleigh numbers and different fin heights and spacings. An experimental parametric study was made to investigate effects of fin spacing, fin height and magnitude of heat flux on mixed convection heat transfer from rectangular fin arrays heated from below in a horizontal channel. The optimum fin spacing to obtain maximum heat transfer has also been investigated. During the experiments constant heat flux boundary condition was realized and air was used as the working fluid. The velocity of fluid entering channel was kept nearly constant (0.15win0.16m/s) using a flow rate control valve so that Reynolds number was always about Re=1500. Experiments were conducted...
... asymmetric versions of two different methods of joining GRP composite sandwich panels 3with steel were obtained (see Figure 1.7), the idea being ...
The investigation of steam, water, and air flow characteristics in horizontal channel is a part of major investigations program at the Lithuanian Energy Institute. The objective of this program is to identify condensation effects on two-phase flow stability and to predict conditions when rapid condensation could be induced in two-phase condensable flow. This article presents investigation of steam-water and air multiphase flow in nearly horizontal rectangular channel. The experimental data for pressure drop and interfacial and wall shear stresses in the channel with uniform distribution of void fraction are presented in this paper. Overall channel dimensions are length = 1.2 m, width = 0.02 m, height = 0.1 m; however, the test section was about 0.84 m in length. Three different flow types ...
BackgroundTo investigate the effects of intravenous lignocaine infusions (IV lignocaine) in fibromyalgia.MethodsProspective study...Full Text Available
We develop and investigate numerically a thermodynamically consistent model of two-dimensional multicomponent vesicles in an incompressible viscous fluid. The model is derived using an energy...Full Text Available
... investigates the convergence of three main areas of UUV development; mission ... with an improved low-cost embedded-system robot controller, to ...
The mechanism of resistance to DDT was investigated in Culex mosquitos to ascertain whether it was associated with detoxication to DDE as in houseflies and Aedes aegypti....Full Text Available
Background:Frozen shoulder (FS) is a debilitating musculoskeletal condition with an uncertain etiology and pathogenic mechanism. The aim of this study was to investigate...Full Text Available
The use of repeated expressions to establish coreference allows an investigation of the relationship between basic processes of word recognition and higher-level...Full Text Available
This exploratory research paper investigated the coping strategies of families of hospitalized psychiatric patients and identified their positive and negative coping strategies. In this paper, the coping...Full Text Available
The purpose of this study was to investigate the extent of consumer demand for patient-oriented pharmacy services. Data, collected via a self-administered questionnaire distributed to 300 households,...Full Text Available
Feb 6, 2003 ... Director, Plans and Programs, Headquarters Air Force Materiel Command, .... Commander of the Joint Task Force Southwest Asia at Prince ...
The first cohomology of the Virasoro algebra with coefficients in string fields are investigated. The relation between them and the Nambu-Goto action for a closed string is established. (orig.).
our exploration of space, in a manner with improved safety. ... a new Space Transportation System. ... Columbia launches as STS-107 on January 16, 2003. ...
Platinum(II) complexes have been investigated in the hydration of alkynes. These catalysts offer improved regioselectivity over Hg(II) counterparts. 1 fig., 2 tabs.
OBJECTIVES:To investigate the effect of opioid receptor blockade on the myocardial protection conferred by chronic exercise and to compare exercise training with different strategies...Full Text Available
Cells of the mononuclear phagocyte lineage have the capability to adhere to and fuse with each other and to differentiate into osteoclasts and giant cells. To investigate the macrophage adhesion/fusion...Full Text Available
BackgroundThe aim of this study was to investigate the anticancer activity and mechanism of action of Noscapine alone and in combination with Doxorubicin against triple negative...Full Text Available
The antinociceptive effects of honokiol and magnolol, two major bioactive constituents of the bark of Magnolia officinalis, were investigated on animal paw licking responses and thermal...Full Text Available
Introduction:The purpose of this study was to utilize an in vitro biofilm model of subgingival plaque to investigate resistances in subgingival biofilm...Full Text Available
allowed an initial assessment of ADS-33 handling quality requirements for an aircraft of this ...... then executing 180 or 360 degree turns in an attempt to ...
The incidence of candidiasis in two groups of voluntary participants wearing tight and loose fitted dresses was investigated by both microscopic and cultural techniques for a period of two months....Full Text Available
BackgroundMitochondrial DNA (mtDNA) is being analyzed by an increasing number of laboratories in order to investigate its potential role as an active marker of tumorigenesis...Full Text Available
The study of flavor changing neutrinos is a very active field of research. I will discuss the status of ongoing and near term experiments investigating neutrino properties at short distances from the source. In the next few years, the Double Chooz, RENO and Daya Bay reactor neutrino experiments will start looking for signatures of a non-zero value of the mixing angle $\\theta_{13}$ with much improved sensitivities. The MiniBooNE experiment is investigating the LSND anomaly by looking at both the $\
Structural units of a hydrogen fuel cell whose characteristics are advisable to investigate by different neutron scattering methods are discussed. The results obtained with the use of Bragg diffraction and small-angle neutron scattering from fuel membranes, nanocarbon-platinum catalysts, and Zn_1_-_xCu_xO hydrogen storage systems are presented.
Recent results of experimental and theoretical investigations, carried out in the Institute of plasma Physics of the NSC KIPT, are presented in the report. The main problems of discussion are as follows: plasma confinement and heating in stellarators and electromagnetic traps; powerful quasi-steady-state plasma accelerators (QSPA); experiments relevant for ITER; fusion Plasma theory; methods of high temperature plasma diagnostics; plasma technology. The main prospects on the IPP investigators are discussed also.
The investigations of lignite hydroliquefaction were aimed at improving reaction control in order to minimize residue and gas portion and hence increase the oil yield. To reach this goal, the process parameters were optimized and various catalysts tested for use in sump phase hydrogenation. Detailed investigations were also carried out on the problem of calcium carbonate agglomeration and the maceral decomposition behaviour of different lignite samples under hydrogenation conditions.
This volume contains appendices D6 through D8 containing laboratory test data: from MK-F investigation, 1987, Old Rifle and New Rifle sites; on bentonite amended radon barrier material; and from MK-F investigation, 1987, riprap tests.
Over the past several years, the Livermore Forensic Science Center has conducted analyses of nuclear-related samples in conjunction with domestic and international criminal investigations. Law enforcement officials have sought conventional and nuclear-forensic analyses of questioned specimens that have typically consisted of miscellaneous metal species or actinide salts. The investigated activities have included nuclear smuggling and the proliferation of alleged fissionable materials, nonradioactive hoaxes such as 'Red Mercury', and the interdiction of illegal laboratories engaged in methamphetamine synthesis. (author)
Due to their good hydraulic characteristic semi-axial pump turbines are used in the medium head range of pumped storage plants. This paper describes model tests performed on a semiaxial pump turbine model and shows the results of these tests. The aim of the model tests was the optimization of the hydraulic water passage, the measurement of the hydraulic characteristics over the whole operating range, the investigation of the cavitation behaviour, the investigation of the hydraulic forces and torques as well as the proof of the values guaranteed to the customer.
The paper intends to lay down the fundamentals of normal mineralisation in the perinatal phase as a basis for investigations of disturbed mineralisation. Data are presented on the percentage area of the mineralized osseous tissue, the osteocyte density, and the mineral contents of healthy bones at this age. Comparative morphological examinations of thin bone sections and microradiographs give a picture of bone development at this age. (orig./AJ).
A complete theory for waveguide laser modes for oversized metallic and dielectric waveguides with circular cross section has been developed for the submillimeter wavelength region. The experimental investigations have been done by a submillimeter heterodyne technique for the first stage using a Schottky barrier diode in an open structure mixer.
Wetlands can potentially sequester vast amounts of carbon. However, over 50% of wetlands globally have been degraded or lost. Restoration of wetland systems may therefore result in increased sequestration of carbon. Preliminary results of our investigations into atmospheric carbon sequestration by restored coastal wetlands indicate that carbon can be sequestered in substantial quantities in the first 2-50 years after restoration of natural hydrology and sediment accretion processes.
Activities and results are reported of a project to investigate the application of remote sensing technology developed for the LACIE, AgRISTARS, Forestry and other NASA remote sensing projects for the environmental monitoring of strip mining, industrial pollution, and acid rain. Following a remote sensing workshop for EPA personnel, the EOD clustering algorithm CLASSY was selected for evaluation by EPA as a possible candidate technology. LANDSAT data acquired for a North Dakota test sight was clustered in order to compare CLASSY with other algorithms.
The exafs method is proposed as a more informative, universal one to investigate the radiation defects in solids. The successful results as obtained by the author using the synchrotron radiation source are reported for the first time. The measurements were carried out in GaAsP crystals irradiated with 50 MeV electrons.
X-ray scattering methods suitable for the investigation of the morphology and chemical composition of self-organized quantum dots and quantum wires are reviewed. Their application is demonstrated in experimental examples showing that a combination of small angle X-ray scattering with high-resolution X-ray diffraction can reveal both the shape and the chemical composition of the self-organized objects. (author)
A numerical calculation procedure applicable to cavity-type receiver configurations and flow conditions was developed. Flow visualization experiments were performed, and experimental measurements of quantities valuable for the development of the numerical calculation procedure were made. The investigation is focussed on a configuration which is strongly two-dimensional in the mean flow structure (but turbulent in a truly three-dimensional sense). (LEW)
Investigated are the characteristics of high-temperature plastic deformation the velocity sensitivity of flow stresses, deformation curves, flow stresses, deformation before rupture - as well as the structure of beryllium alloys containing nickel (0.5-4 %), yttrium (0.5-2 %) and aluminium (38 %). The alloys containing nickel (2%) and yttrium (0.5 %) are superplastic, however, deformation before fracture of the alloys is lower than that of the unalloyed beryllium. The singularities of high-temperature plastic flow of the alloys and the causes of deterioration of their plasticity are determined.
Objectives1) To establish a protocol for transfection of immortalised type I cells with SiRNA and its effect on cell viability; 2) To optimise silencing of genes involved in endocystosis using SiRNA and confirm successful transfection with western blotting; 3) To investigate the effect of gene silencing on uptake of flourescently-labelled latex nanoparticles.DescriptionTo investigate the mechanisms of particle uptake.
Germanium coordination compounds (GCC) with oxiethilidendyphosphonic acid (Ge-Oedph) film structures electrophysical, optical, structural and adsorptive properties investigation results are represented. This structure concerns to a new perspective class of functional materials. The mechanism GCC films electric conductivity is investigated and explained. GCC possible application fields are specified.
Germanium coordination compounds (GCC) with oxiethilidendyphosphonic acid (Ge-Oedph) film structures electrophysical, optical, structural and adsorptive properties investigation results are represented. This structure concerns to a new perspective class of functional materials. The mechanism GCC films electric conductivity is investigated and explained. GCC possible application fields are specified.
The effects of upwind turbine wakes on the performance of a FloWind 17-m vertical-axis wind turbine (VAWT) were investigated through a series of field experiments conducted at the FloWind wind farm on Cameron Ridge, Tehachapi, California. From the field m...
Experimental investigation was carried out for friction factor and heat transfer coefficient in the case of a rotating tube with a twisted-tape insert for heat transfer augmentation. The data obtained were compared with existing data for a stationary tube with a twisted-tape insert. It has been observed that the enhancement in heat transfer offsets the rise in friction factor due to rotation, with respect to a plain tube under stationary conditions. A correlation has been proposed for the data obtained.
Effects of gamma irradiation on hygienic quality and extraction yields in twenty-one kinds of Korean medicinal herbs were investigated. Gamma irradiation at 5-10 kGy inactivated contaminating microorganisms. The total extraction yield in fifteen kinds of the investigated medicinal herbs increased by 5-25% by a dose of 10 kGy. (author)
By means of ESCA the composition and the thickness of passive films formed on austenitic stainless steels were investigated after the attack of nitric acid at various temperatures and acid concentrations. The outermost layers of the oxide film consist of SiO_2, then a layer rich of Cr-oxid follows, containing also some Mo in the four- and sixvalent state. Ni does not contribute to the oxide film. Cr is also enriched in the metal just below the oxide film. (orig.).
The dynamic behavior of electrooptic bistable devices with delayed feedback is investigated theoretically and experimentally. The operation principle of the system is analyzed by the method of iterated maps. Stable, bistable, periodic, higher periodic, and chaotic solutions are discussed and realized experimentally by using an integrated Mach-Zehnder interferometer on LiNbO3 as a basic nonlinear element. Taking into account the periodic modulator characteristic, the application of this device as a simple and fast bistable and monostable multivibrator is demonstrated. In addition, the synchronization properties of the astable multivibrator are investigated.
Efforts during the past year by the US Department of Energy and the Electric Power Research Institute-funded laboratories to investigate the biological effects from electric fields are described in resume form. Investigations generally have been summarized with objectives, accomplishments of the past year, and some indication of projected studies.
The Netherlands Energy Research Foundation investigated the acidification of fog and dew. Both have little effect on the total acid deposition, but they contribute strongly to the hazardous effects on plants. In particular the effects of hydrogen peroxide and sulfite in fog and dew on plants have been investigated. Special attention is paid to the development of the measurement and sampling equipment. Results of the measurements are presented. 9 figs., 4 refs., 1 tab.
The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.
We investigate an application of the method of fundamental solutions (MFS) to the one-dimensional inverse Stefan problem for the heat equation by extending the MFS proposed in [5] for the one-dimensional direct Stefan problem. The sources are placed outside the space domain of interest and in the time interval (-T,T). Theoretical properties of the method, as well as numerical investigations, are included, showing that accurate and stable results can be obtained efficiently with small computational cost.
An attempt has been made to grow L-tartaric acid nicotinamide (LTN); a complex of tartaric acid, by employing a modified unidirectional method. The crystalline structure and quality are investigated by single crystal XRD and rocking curve studies. The linear and nonlinear optical properties are studied by UV-vis-NIR spectral analysis, SHG test, phase matching and laser induced damage threshold measurement. For comparison, parallel growth of the crystal was carried out by conventional method and the properties of the LTN samples grown by the conventional and unidirectional methods are investigated. The mechanical, photoconductivity and dielectric behavior of LTN crystals are also investigated.
Collaborative Filtering (CF) is a popular method for personalizing product recommendations for e-Commerce and customer relationship management (CRM). CF utilizes the explicit or implicit product evaluation ratings of customers to develop personalized recommendations. However, there has been no in-depth investigation of the parameters of CF in relation to the number of ratings on the part of an individual customer and the total number of ratings for an item. We empirically investigated the relationships between these two parameters and CF performance, using two publicly available data sets, EachMovie and MovieLens. We conducted three experiments. The first two investigated the relationship between a particular customer?s number of ratings and CF recommendation performance. The third experim...
The authors present the results of their investigation of the effect of phosphorus compounds on the activity of tungsten-containing catalysts in the oxidation of ethane. They investigated tungsten-phosphorus catalysts with different phosphorus concentrations (calculated on the basis of P/sub 2/O/sub 5/). The catalysts were prepared by heat decomposition of the starting compounds at 750/sup 0/C for 4 h. As their starting compounds, they used two types of materials: heteropoly acids mixtures of monosubstituted ammonium phosphoric and tungstic acids. The specific surface area of the catalysts was determined using the nitrogen desorption method. The x-ray phase analysis was carried out using a DRON-1.5 diffractometer. The catalytic activity was determined using the impulse method in a reactor with a vibrofluidized catalyst layer.
Layer-by-layer formation for #pi#-conjugated azomethine multilayers bonded on substrates was investigated. The multilayers were synthesized using ethanol (EtOH) and dichloromethane (DCM) as reaction solvents. The multilayer characteristics were analyzed using UV-vis absorption spectroscopy, ellipsometric thickness, and atomic force microscopy. The absorption spectra and ellipsometric thicknesses of multilayers formed using EtOH and DCM were compared. The results indicate that EtOH is more suitable than DCM for such layer-by-layer formation. In addition, bandgaps estimated from the absorption edge of multilayers were investigated. The results indicate that the bandgap decreases as the number of benzene rings contained in the molecular chain of the multilayer increases. Also, a multilayer with four benzene rings bonded on a substrate had a bandgap close to that of a polymer with a similar chemical structure.
Eight selected sulfonamide drugs were investigated as inhibitors of heat shock protein 90 (Hsp90). The investigation included simulated docking experiments to fit the selected compounds within the binding pocket of Hsp90. The selected molecules were found to readily fit within the ATP-binding pocket of Hsp90 in low-energy poses. The sulfonamides torsemide, sulfathiazole, and sulfadiazine were found to inhibit the ATPase activity of Hsp90 with IC50 values of 1.0, 2.6, and 1.5 mM, respectively. Our results suggest that these well-established sulfonamides can be good leads for subsequent optimization into potent Hsp90 inhibitors.
The diagnostic accuracy of sialography and ultrasonography (US) in the evaluation of parotid masses is evaluated. Furthermore the role of computed tomography (CT) in this pathology is discussed. In the personal experience US proved to be the best method in the recognition of a parotid tumor while sialography was superior in defining the intra or extraparotid site. The two investigations showed the same accuracy in the definition of benign or malignant nature of the mass. Therefore we consider US the only investigation in most istances; sialography could be performed when the site of the lesion is uncertain or an inflammatory lesion is suspected. CT is never the first investigation; its use is limited to a low number of cases, mainly for the evaluation of large masses and when the association US-sialography does not allow a sure diagnosis.
This remedial investigation (RI)/feasibility study (FS) supports the selection of remedial actions for the David Witherspoon, Inc. 901 Maryville Pike Site in Knoxville, Tennessee. Operations at the site, used as a recycling center, have resulted in past, present, and potential future releases of hazardous substances in to the environment. This Site is a Tennessee Superfund site. A phased approach was planned to (1) gather existing data from previous investigations managed by the Tenn. Dept. of Environment and Conservation; (2) perform a preliminary RI, including risk assessments, and an FS with existing data to identify areas where remedial action may be necessary; (3) gather additional field data to adequately define the nature and extent of risk-based contaminants that present identifiable threats to human and/or ecological receptors; and (4) develop remedial action alternatives to reduce risks to acceptable levels.
The design of a reaction cell which permits the investigation of the sorption kinetics of microcomponents without separation of the phases under automated condition has been described. The use of thin-layer inorganic sorbents obtained by depositing films of a sorbing substance from aqueous solutions on flat substrates of small thickness makes it possible to determine the extent of sorption even at small values in the case of /beta/ emitters with a low energy and /alpha/ emitters. Detailed observation of the kinetics of isotopic exchange in the CdS-/sup 115m/Cd-HNO/sub 3/ system has made it possible to reveal at least four stages in the process during the time of observation.
This report describes an investigation of the performance of air-augmented waterjet thrusters. The investigation is divided into two parts. Part one describes a study of the injection of large diameter air bubbles to reduce heat transfer between the air and water and, thus, increase the thrust. This study is done analytically by solving the appropriate, governing equations. The results indicate that the approach is very worth-while since thrust can be increased ten percent as compared to air-augmentation with small bubbles. Several practical systems are discussed for injecting large air bubbles. Part two is an experimental investigation of the thrust produced under a wind range of conditions. The results show that a thrust increase of more than 20 percent can be achieved by air-augmentation. Further, the performance improves for larger thrust nozzles.
Mass and charge distributions of products from fission of sup(242m)Am induced by thermal neutrons have been investigated by means of the semiconductor spectrometry of ..gamma.. radiation from a mixture of non-separated fragment nuclei. Specimens of the fissible material have been irradiated in the vertical experimental channel of the research reactor then the measurements have been performed with calibrated semiconductor detectors. Three experiments with substantially different irradiation times have been performed to expand the nomenclature of the investigated fission products. The spectra of ..gamma.. radiation from the mixture of fission products, and time dependences of the counting rates at the total absorption peaks have been handled with computers. The obtained yields are compared with data of previous investigations performed with different experimental methods, as well as with the calculated one.
The general objective of the presented work is process intensification by means of reduced furnace chamber volumes in combination with the use of low-NOx burner technologies. Fundamental experimental investigations of the reaction zone of different burner types were made. For the development of new burner designs the CFD code FLUENT was used. Throughout the investigations it was possible to increase the furnace heating density from 62 kW/m3 up to 1133 kW/m3. To demonstrate possible technical applications two simulated industrial furnaces designs have been investigated. One main conclusion the work gave is that process intensification without an increase of pollutant emissions is possible by optimizing furnace and burner design and also position and geometry of the furnace load in a combined strategy. (author)
The general objective of the presented work is process intensification by means of reduced furnace chamber volumes in combination with the use of low-NOx burner technologies. Fundamental experimental investigations of the reaction zone of different burner types were made. For the development of new burner designs the CFD code FLUENT was used. Throughout the investigations it was possible to increase the furnace heating density from 62 kW/m3 up to 1133 kW/m3. To demonstrate possible technical applications two simulated industrial furnaces designs have been investigated. One main conclusion the work gave is that process intensification without an increase of pollutant emissions is possible by optimizing furnace and burner design and also position and geometry of the furnace load in a combined strategy. (author)
The spatio-temporal dynamics of an impinging shock/boundary layer interaction at Mach 2 and under incipient separation conditions, has been investigated experimentally by means of high-speed particle image velocimetry (PIV). The available PIV acquisition rate of up to 20 kHz permits a time-resolved characterization of the interaction. The dynamics of different flow regions?notably the separation region and the reflected shock?were quantified by means of temporal auto-correlation fields and pseudo-spectral analysis. The PIV data further enable to investigate the relationship between spatially extended flow features, such as shock position and bubble size, as well as the influence of the upstream boundary layer. The results confirm earlier studies that there is an important upstream effect o...
This experimental research investigates mixed convection and heat transfer augmentation by gaseous forced jets in a large enclosure, at conditions simulating those of passive containment cooling systems for Gen III+ passively safe reactors. The experiment is designed to measure the key parameters governing heat transfer augmentation by forced jets, and to investigate the effects of geometric factors, including the jet diameter, jet injection orientation, interior structures, and enclosure aspect ratio. The tests cover a variety of injection modes leading to flow configurations of interest for mixing and stratification phenomena in containments under accident conditions. Correlations for heat transfer augmentation by forced jets are developed and compared with experimental data. The characteristic recirculation speed inside the enclosure is introduced and analyzed. Steady stratified temperature distributions are compared with model simulations ...
This experimental research investigates mixed convection and heat transfer augmentation by gaseous forced jets in a large enclosure, at conditions simulating those of passive containment cooling systems for Gen III+ passively safe reactors. The experiment is designed to measure the key parameters governing heat transfer augmentation by forced jets, and to investigate the effects of geometric factors, including the jet diameter, jet injection orientation, interior structures, and enclosure aspect ratio. The tests cover a variety of injection modes leading to flow configurations of interest for mixing and stratification phenomena in containments under accident conditions. Correlations for heat transfer augmentation by forced jets are developed and compared with experimental data. The characteristic recirculation speed inside the enclosure is introduced and analyzed. Steady stratified temperature distributions are compared with model simulations ...
BackgroundPeritoneal metastasis occurs in up to 30% of patients with gastric cancer. The aim of this experimental study is to develop and validate a novel ex vivo model of the human peritoneum to better identify factors involved in the development of peritoneal metastasis in order to improve its management and prognosis. MethodsPeritoneal discs harvested from hernia sacs obtained at inguinal hernia surgery were suspended in media using Teflon rings. Viability of the tissue was investigated using MTS assay, light and scanning electron microscopy (LM and SEM) over 72 h. To assess validity of the model, phenotypic changes in tumor cells were investigated. Changes in matrix metalloproteinases (MMP)-2 and -9 activities in HGC and AGS gastric adenocarcinoma cells after co-culture were investigat...
In the present contribution, the innovative in situ Raman micro-spectroscopy was applied to investigate the in vitro reactivity of various bioactive glasses. All the investigated glasses belonged to the Na2O\\K2O-CaO-P2O5-SiO2 system, but contained sensibly different percentages of network modifiers. The glasses were immersed for increasing times, up to 96h, in simulated body fluid (SBF) and in tris-buffered (TRIS) solution. In this way, two fundamental items were addressed, i.e. the effect of the glass composition and the nature of the soaking fluid on the overall reactivity. As regards the SBF, all the glasses were able to promote the formation of a hydroxyl-carbonate apatite (HCA) surface layer in very short times. The reaction rate was particularly quick for the 45S5 Bioglass and for it...
Using EAS data from the EAS-EXC group (EAS plus hadronic calorimeter and nuclear emulsion-X chamber hybrid experiment) on Mount Chacaltaya during the 1990's the fractal properties of the energetic cosmic ray fluxes was investigated. A discrimination in the hadron content of the energetic primaries furnishes two different data samples, the total EAS fluxes and the hadron-less fluxes. The sidereal diurnal variation of the hadron-less EAS time variation shows values of 0.5% with a phase at about 2.29 hr sidereal time. With the help of the Crassberger Procaccia algorithm the fractal dimensions have been investigated of, on the one hand, the differences in arrival times of the hadron-less showers and on the other hand the EAS fluxes time series with an integration time of five min. The obtained fractal dimensions show inconclusive evidence of continuous chaotic component in the data samples investigated.
The non-proliferation experiment, originally called the chemical kiloton experiment, was planned and executed by Lawrence Livermore National Laboratory to investigate the seismic yield relationship and distinguishing seismic signals between a nuclear event and a large mass conventional explosion. The Los Alamos National Laboratory planned and conducted experiments to further their studies of the source function for signals observed seismically. Since all investigations were contingent on the performance of the emplaced chemical explosive, an array of diagnostic measurements was fielded in the emplaced explosive. The CORRTEX system was used to investigate the explosive initiation and to determine the detonation velocities in multiple levels and in numerous directions. A description of the CORRTEX experiments fielded, a review of the data obtained and some interpretations of the data are reported.
New ternary compounds on the ytterbium base YbPd_2Ge, YbPd_2Si, YbPdGe, YbPdSi, YbPtGe, YbPd_2Ge_2 and known compound YbPdSi_2 were obtained and investigated. Results of measuring the electric resistivity and magnetic susceptibility in the 4.2-300 K range are presented. It is found that YbPdGe, YbPtGe, YbPd_2Ge at low temperatures have magnetic phase transitions, investigations of which testify to dominant contribution of ferromagnetic ordering. The investigation results testify also to substantial effect of ytterbium crystalline environment on the physical properties of compounds under study.
In light of the global focus on greenhouse gas emissions, energy consumption of communication networks has become an important research area. Networks are major energy consumers and are generally dimensioned for peak loads. For extended periods, resources consume power, but are lightly or unused. This research investigates the concept of dynamic topologies, i.e. networks that adapt their topology according to traffic volume. The key aim of this study is to investigate power reductions that can be achieved by dynamic topologies. It proposes a network transformation and introduces mathematical programming models that results in energy optimal topologies for given traffic loads. This paper focuses on the optimisation problems and investigates gains in static environments. Numerical results ar...
The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.
The present work focuses on investigations of a highly selective ligand for Am(III)/Ln(III) separation: bis-triazinyl-pyridine (BTP). By means of nano-electro-spray mass spectrometry, complex formation of BTP with selected elements of the lanthanide series is investigated. We show that the diluent drastically influences complex speciation. Measurements obtained in the extraction-relevant diluent 1-octanol show the occurrence of Ln(BTP){sub i} (i 1-3) species in different relative abundances, depending on the lanthanide used. Here, the relative abundances of the Ln(BTP){sub 3} complexes correlate with the distribution ratios for extraction to the organic phase of the respective lanthanide. (authors)
In this investigation, a forward osmosis (FO) dewatering process is evaluated as an alternative for dewatering orange peel press liquor. The press liquor is concentrated by removing water via osmosis into a concentrated ''draw solution'' across a polymeric cellulose acetate membrane. For this investigation, the draw solution consisted of sodium chloride at two different concentrations (2M and 4M). These draw solutions were used to concentrate synthetic press liquor. Concentration factors up to 3.7 resulted when using a 4M NaCl draw solution and the synthetic press liquor. Also during this investigation, fouling behavior was observed and the mechanisms of fouling elucidated through a systematic approach. This approach identified the key components of the press liquor that were primarily res...
The production method of the elastic composite containing ferrous particles and titanium barium particles dispersed in the porous silicone matrix is described in this article. Since it contains ferrous and titanium barium particles, this composite shows magnetorheological and also electrorheological properties. The electrostriction of composite samples in the electric field with maximal intensity 1.5x10{sup 6} V/m was investigated. The magnetostriction in the magnetic field with maximal induction 1 T was also investigated. It was found that samples elongate with increased electric field intensity, and the magnetic field induction was detected. By increasing the samples' elongation with increase of ferrous particles, titanium barium particles and pores number were also detected. In the investigated division of the electric and magnetic field the elongation changed in a linear way. The maximal elongation achieved was ...
This paper summarizes an investigation carried out on Polish terrain occupied by Russian Federation military troops. The investigation identified natural environmental devastation, pollution, and contamination. Quantitative estimation of the devastation and its economic evaluation are provided. The results of the investigation are as follows: 406 ha have been contaminated by petrochemical products; 22.7 ha are chemically polluted; and 6,500 ha of underground water, as well as 17.5 ha of surface water, cannot be classified. On 15,300 ha the soil has been degraded, of which landfills comprise an area of 98 ha. No toxic warfare agents have been detected, nor any radioactivity levels exceeding those characteristic of the given region.
Ruthenium(II) and Iridium(III) polypyridyl complexes have been intensively investigated due to their use in energy conversion and light-emitting devices and materials for non-linear optics. Quantum mechanical computer simulations of molecules and materials have become increasingly popular in the scientific community. Along with experimental investigations, such computational analyses can provide complementary information on the electronic and optical properties of transition metal compounds of interest for optoelectronic applications. Here, we provide a unified review of recent work carried out on computational investigations of a large series of Ruthenium(II) and Iridium(III) polypyridyl complexes, discussing the relations between their electronic structure and optical properties and thei...
The Early Bronze Age barrows at Irthlingborough and Gayhurst in central England are notable for the large number of cattle (Bos taurus) remains associated with their human Beaker burials. Previous work using strontium isotope analysis has indicated that most of the cattle analysed, and one aurochs (Bos primigenius), were of local origin [Towers, J., Montgomery, J., Evans, J., Jay, M., Parker Pearson, M., 2010. An investigation of the origins of cattle and aurochs deposited in the Early Bronze Age barrows at Gayhurst and Irthlingborough. Journal of Archaeological Science 37, 508-515.]. In this study, stable isotope analysis of enamel and bone was carried out to investigate whether the mature cattle had experienced similar husbandry practices, climate and environment. Bulk carbon, nitrogen a...
Plasma erosion craters caused by electrical discharges on the surface of materials are important features of the erosion processes resulting in the degradation of electrodes. In the present work, electrical discharges were produced on a bi-metallic Ni/Cu multilayered surface. By means of dual beam techniques, coupling a focused ion beam (FIB) and a scanning electron microscope (SEM), not only the surface but also the sub-surface structure of the craters were investigated. Using the combination of SEM, FIB and STEM-EDX, a complete three-dimensional investigation of the craters were carried out. The analysis of the microstructure modifications as a function of depth enabled to determine the field of interaction between the plasma and the material. (orig.)
Wiskott-Aldrich syndrome protein (WASp) is essential for optimal T cell activation. Patients with WAS exhibit both immunodeficiency and a marked susceptibility to systemic autoimmunity. We investigated...Full Text Available
Water relations of growing segments of maize (Zea mays L.) coleoptiles were investigated with osmotic methods using either mannitol (MAN) or polyethylene glycol 6000 (PEG) as external...Full Text Available
We investigated high-resolution mental imagery and mental rotation, while the participants received caloric vestibular stimulation. High-resolution visual mental imagery tasks have been shown...Full Text Available
Objective:The identification of biological markers in order to assess different aspects of COPD is an area of growing interest. The objective of this study was to investigate whether...Full Text Available
Synthetic oligoribonucleotides have been used to probe the interaction of MS2 coat protein with the translational operator of the MS2 replicase gene. We have investigated the possible formation of a...Full Text Available
We have investigated the transport of tritiated indole-3-acetic acid (IAA) in intact, red light-grown maize (Zea mays) coleoptiles during gravitropic induction and the subsequent development...Full Text Available
The transport of arginine into isolated barley (Hordeum vulgare L.) mesophyll vacuoles was investigated. In the absence of ATP, arginine uptake was saturable with a Km...Full Text Available
Skeletal muscle and adipose tissue development often has a reciprocal relationship in vivo, particularly in myodystrophic states. We have investigated whether determined myoblasts with no inherent adipogenic...Full Text Available
Ecological investigations were made of habitats containing natural populations of the snail Oncomelania hupensis quadrasi and of habitats free from the snail in the island of Leyte,...Full Text Available
Experimental investigations have been shown that the thermal stability of carnallite shows a clear change to hogher temperature with increasing pressure if the decomposition atmosphere is not removed. Around 40 bar, constitutional water is released from the carnallite lattice at 139/sup 0/C, around 100 bar at 145/sup 0/C. The available temeprature data on thermal release of constitutional water in carnallite (80 to 110/sup 0/C) are not relevant to the possible heat load in a final-storage salt done as all investigations have been carried out in vacuum or in open systems under atmospheric conditions. The author's investigations show the decomposition temeprature of carnallite will be much higher under in-situ conditions with blocked or delayed removal of decomposition atmosphere. However, this applies only to carnallite as isolated mineral phase. Final statements cannot be made until the pressure-temperature ...
Investigations of superdense compression touch on such problems as ultrahigh-frequency oscillations of matter in the generation of gravitational waves, the powerful pumping of hard coherent radiation, and the laboratory simulation of stellar interiors. This paper reviews the theory of supercompression and discusses some experiments involving multifoil collision supercompression.
BackgroundTo investigate the feasibility, the ease of implementation, and the extent to which community health workers with little experience of data collection could be trained...Full Text Available
The phase space of quantized systems that contain tachyons has been investigated. Interpretation difficulties and unexpected divergences are found when it is considered the volume of Lorentz-invariant phase space. These problems can be overcome, however, at the expense of Lorentz invariance.
The formation and maintenance of social bonds in adulthood is an essential component of human health. However studies investigating the underlying neurobiology of such behaviors have been scarce....Full Text Available
The actions of nicotine, hexamethonium, and ethanol on the hypothalamo-hypophysial system have been investigated in the rat. The antidiuretic action of nicotine was not inhibited by ethanol, nor by...Full Text Available
Results of hot cracking on welds with compositions between alloy 800 and AWS ER NiCr 3. Investigation of the influence of Si, Mn, Ti and Al on the hot cracking suscpetibility of the alloy 800. (orig.).
The use of an extraction of the heme pigments hemoglobin and myoglobin as a test for the heat exposure of back bacon was investigated by treating back bacon at varying temperatures of 50-70 degrees...Full Text Available
BackgroundHigh complexity is considered a hallmark of living systems. Here we investigate the complexity of temporal gene expression patterns using the concept of Permutation Entropy...Full Text Available
ObjectiveTo investigate and to quantify the relationship between hospital costs and health outcomes for patients with acute myocardial infarction (AMI) in Veterans Health Administration...Full Text Available
ObjectiveTo investigate the associations between intimate partner violence, rape and HIV among South African men.DesignCross-sectional study involving...Full Text Available
Background and purpose:Diphenyleneiodonium (DPI) is often used as an NADPH oxidase inhibitor, but is increasingly being found to have unrelated side effects. We investigated its...Full Text Available
Related to other research on the effectiveness of flow boiling heat transfer augmentation using various types of turbulators this investigation comprises a definitive study of the effect of large discrete roughness elements on heat transfer over the entir...
The potential effect of lindane and its formulations on stillbirths and abortion in pregnant sows was investigated. One of four formulations of lindane were applied at five times the registered dosage...Full Text Available
This investigation will explore the effect that current timber extraction techniques have on plethadontid salamander populations in ... group selection, and two-age harvest. Broad scale timber extraction can d...
Electrophysiological events are of central importance during the phagocyte respiratory burst, because NADPH oxidase is electrogenic and voltage sensitive. We investigated the recent suggestion that...Full Text Available
The factors determining temperature and current coefficients of lasing wavelength are investigated and discussed under monitoring CO2-gas absorption spectra. The diffusion rate of...Full Text Available
We investigate a method for gene delivery to vascular smooth muscle cells using ultrasound triggered delivery of plasmid DNA from electrostatically coupled cationic microbubbles. Microbubbles...Full Text Available
The authors have investigated here whether tachyons can move in stable circular orbits in Kerr, Kerr-Newmann and Lewis fields owing to their dragging effect. It is found that stable circular orbits are possible only in a Lewis field.
The authors have investigated here whether tachyons can move in stable circular orbits in Kerr, Kerr-Newmann and Lewis fields owing to their dragging effect. It is found that stable circular orbits are possible only in a Lewis field. (author).
Recent studies suggest that TJ-41, a herbal drug, possesses chemotherapeutic effects. Accordingly, this study was undertaken to investigate the anticarcinogenic effects of TJ-41 on human breast cancer...Full Text Available
Today, hospitals are involved extensively in social marketing and promotional activities. Recently, investigators from the Centers for Disease Control and Prevention (CDC) estimated that routine testing...Full Text Available
Microstructure of the teeth of the sea urchin Lytechinus variegatus was investigated using optical microscopy, SEM (scanning electron microscopy) and SIMS (secondary ion mass...Full Text Available
Analysis of results of an investigation into the structure of lithium salt aqueous solutions is presented. An anomaly in lithium ion behaviour in solutions at the structural level is noted. 40 refs., 3 tabs.
A description of the FEL experiment underway at the 10 kA, 5 MeV Experimental Test Accelerator (ETA) is described. The facility has been designed to investigate the high-gain operation of an FEL.
The present investigation is a case study of Lucknow, the main metropolis in Northern India, which succumbs to a major problem of municipal solid waste and its management. A qualitative investigation using strengths, weaknesses, opportunities and threats analysis (SWOT) has been successfully implemented through this community participation study. This qualitative investigation emphasizes the limited capabilities of the municipal corporation's resources to provide proper facilitation of the municipal solid waste management (MSWM) services without community participation in Lucknow city. The SWOT analysis was performed to formulate strategic action plans for MSWM in order to mobilize and utilize the community resources on the one hand and municipal corporation's resources on the other. It has allowed the introduction of a participatory approach for better collaboration between the community and municipal corporation in ...
Several low-mass models with an inhomogeneous radiative core and a convective envelope are investigated, the entire core or its upper portion being treated as a zone of neutral stability. Mixing by convective overshoot will then give rise to unstable structure.
... MCL Maximum contaminant level NAAQS National ambient air quality standards NCP National ... 3. Estimated Cost Impacts: I3a. ... Standard Additions. ...
The pharmacokinetics of ceftriaxone were investigated in six healthy mainland Chinese adults (four males and two females). A single 1.0-g dose was administered intravenously or intramuscularly in a...Full Text Available
The PGV-1000 secondary side natural circulation calculation results for steady-state operational conditions and their analysis using the data of actual NPP circulation investigation are presented. (3 refs., 3 figs., 3 tabs.).
The PGV-1000 secondary side natural circulation calculation results for steady-state operational conditions and their analysis using the data of actual NPP circulation investigation are presented. (3 refs., 3 figs., 3 tabs.).
The Sleeping Beauty (SB) transposon system represents an important alternative to viral integrating vector systems but may, as its viral counterparts, be subject to transcriptional silencing. To investigate...Full Text Available
ObjectivesTo investigate the effect of group cognitive behavioural therapy (CBT) for fatigue self-management, compared with groups receiving fatigue information alone, on fatigue...Full Text Available
The patterns of nitrate reductase activity (NRA) in the leaves (in vivo assay) and root nodule nitrogenase activity (C2H2 reduction) were investigated throughout...Full Text Available
Using longitudinal data from the Youth Development Study (analytic sample N = 712), we investigate how age, adult role acquisition and attainments, family resources, parent-child relationship...Full Text Available
The planned spallation source can be of considerable significance for biomedical basic research and for clinically relevant diagnostic and therapeutic applications. The following gives a brief description and explanations for its possible use in clinical medicine: I. Treatment of Malignant Tumors II. Production of Isotopes for Biochemical Investigations in Living Organisms for Diagnostic Purposes.
BackgroundCurli, cellulose and the cell surface protein BapA are matrix components in Salmonella biofilms. In this study we have investigated the roles of these...Full Text Available
A copper-resistant strain (09906) of Pseudomonas fluorescens that was isolated from a citrus grove soil is being investigated as a biological control agent for Phytophthora root rot. Since citrus grove...Full Text Available
The gelation kinetics of an in situ gelable hydrogel formulated from oxidized dextran (Odex) and N-carboxyethyl chitosan (CEC) were investigated rheologically. Both Schiff base...Full Text Available
Xylem failure via gas embolism (cavitation) induced by water stress was investigated in the palm Rhapis excelsa (Thumb.) Henry. Xylem embolism in excised stems and petioles was detected...Full Text Available
BackgroundSubjects with a ring scotoma can use two retinal loci, a foveal and a peripheral, for reading. Our aim was to investigate the relative use of both retinal loci as a function...Full Text Available
The polymerase chain reaction (PCR) was investigated as a means of diagnosing Mycoplasma pneumoniae infections. The target DNA sequence was a 375-bp segment of the P1 virulence protein. This DNA segment...Full Text Available
BackgroundHeterogeneous results for research investigating health-related quality of life (HRQL) in patients undergoing sphincter-ablating procedures for rectal cancer...Full Text Available
A method is described for the supervision of technicians engaged in microscopical screening of large numbers of stools for Schistosoma mansoni ova. The scheme presents graphically...Full Text Available
BackgroundThe rhizomes of Cynodon dactylon are used for the treatment of heart failure in folk medicine. In the present study, we investigated the effects of hydroalcoholic...Full Text Available
Increased intrauterine prostaglandin (PG) production is crucial for the initiation of parturition. To investigate the mechanisms controlling intrauterine PG synthesis, we examined the expression of...Full Text Available
The widespread use of tobacco and alcohol among adolescents might be related to the ability of nicotine and ethanol to facilitate social interactions. To investigate the neurobehavioral mechanisms...Full Text Available
We investigated the role of early portal hypotensive pharmacotherapy in preventing the development of portal-systemic shunting in a portal hypertensive model of chronic murine schistosomiasis induced...Full Text Available
There are a number of propagation issues that need further investigation for efficient system planning for EHF communication systems. Especially needed are better cloud and rain characterizations. A method for estimating one of the rain induced effects of interest, outage duration, is presented.
The osmoprotectant Pro betaine is the main betaine identified in alfalfa (Medicago sativa). We have investigated the long-term responses of nodulated alfalfa plants to salt stress,...Full Text Available
Objectives:Cachexia is common in pancreatic cancer and may have an influence on longterm survival but few studies have investigated this in patients with operable tumours. Therefore,...Full Text Available
The objective was to investigate the association of pregravid weight status, dietary restraint and psychosocial factors during pregnancy. We used data from the Pregnancy, Infection and Nutrition...Full Text Available
Acoustic pharyngometry is a relatively new noninvasive method that quantifies geometrically complexed pharyngeal dimensions. Our study aimed to investigate the predictability and usefulness of acoustic...Full Text Available
This report will be revised upon completion of current testing investigating the radiolytic stability of additional energetic materials and the analysis of tank farm samples for volatile and semi-volatile organic compounds.
The aim of this study was to investigate the supposed vertical diel migration and the accompanying physiology of Beggiatoa bacteria from hypersaline microbial mats. We combined microsensor,...Full Text Available
The phase space of quantized systems that contain tachyons has been investigated. Interpretation difficulties and unexpected divergences are found when we consider the volume of Lorentz-invariant phase space. These problems can be overcome, however, at the expense of Lorentz invariance.
BackgroundZibotentan (ZD4054) is a specific endothelin A (ETA) receptor antagonist being investigated for the treatment of prostate cancer. As zibotentan is eliminated...Full Text Available
In order to investigate the effects ethanol-diesel blends and altitude on the performance and emissions of diesel engine, the comparative experiments were carried out on the bench of turbo-charged diesel...Full Text Available
AIM: To investigate differential points of solid-pseudopapillary neoplasm (SPN) of the pancreas and pancreatic endocrine tumor (PET).METHODS: Ten cases of SPN and fourteen cases of PET were studied...Full Text Available
BackgroundWe investigated the influence of parenteral glucose infusion on insulin-driven tight glucose control (4.4–6.1 mmol/liter) in the critically ill by appraising kinetic...Full Text Available
Background:The non-surgical management of non-melanoma skin cancers is an area requiring clinical investigation. Radiotherapy has a role in treatment for a defined subset...Full Text Available
Background. The Free Radical Theory of Aging mechanistically links oxidative stress to aging. Okinawa has among the world's longest-lived populations but oxidative stress in this...Full Text Available
Effects associated with the temperature dependence of the level density parameter, a(T), are investigated in connection with neutron evaporation processes. Different approximations, for this temperature dependence, are compared for the case of neutron emission from the compound nucleus /sup 209/Pb.
The Ozarks Isoprene Experiment (OZIE) was conducted in July 1998 in Missouri, Illinois, Indiana, and Oklahoma. OZIE was designed to investigate the presumed strong isoprene emission rates from the Missouri Ozarks, where there is a high density of oak trees that are efficient isop...
For a simplicial manifold we construct the differential geometry structure and use it to investigate linear connections, metric and gravity. We discuss and compare three main approaches and calculate the resulting gravity action functionals. (author)
The conformation of the self-complimentary DNA dodecamer d(br5CGbr5CGAATTbr5CGbr5CG) has been investigated in a variety of salt and solvent conditions by one and two-dimensional 1H NMR. In low salt...Full Text Available
We study the impact of non-Abelian T-duality transformations on a string based cosmological model. The implementation of the pre-big-bang scenario is investigated. We found a region of the dual phase where such a picture is possible.
The effect of water stress on patterns of nitrate reductase activity in the leaves and nodules and on nitrogen fixation were investigated in Medicago sativa L. plants watered 1 week...Full Text Available
at 4:30 P.M. November 30, 2006 - NTSB Sends Investigators to Metro Accident in Alexandria, Virginia November 27, 2006 - (SB-06-67) John Clark Assumes New Scientific Post at...
Natural abundance 13C solid-state nuclear magnetic resonance spectroscopy was used to investigate the effect of the incorporation of cholesterol on the dynamics of dimyristoylphosphatidylcholine (DMPC)...Full Text Available
PurposeTo investigate whether acquired somatic mutations in the iron response element of the ferritin L-chain gene account for the age-related cataract.MethodsThe...Full Text Available
Several studies have raised the possibility that exposure to electrical and/or magnetic fields may be injurious to health in particular by the promotion or initiation of cancer. To investigate whether...Full Text Available
In this study, we investigated on a systems level how complex protein interactions underlying cell polarity in yeast determine the dynamic association of proteins with the polar cortical domain (PCD)...Full Text Available
Few studies have examined energy metabolism during prolonged, strenuous exercise. We wanted therefore to investigate energy metabolic consequences of a prolonged period of continuous strenuous work...Full Text Available
BackgroundThe aim of this study was to investigate the mental health status, and the risk factors associated with mild psychiatric disorders, of female foreign spouses (from Vietnam,...Full Text Available
Investigation of memory effects in air at 0.7 mbar pressure in the presence of vacuum electrical breakdown mechanism has been performed in this paper. The memory effect has been followed using the time delay method.
Objective:The aim of this study was to investigate the effects of obstructive sleep apnea (OSA) on procedural and declarative memory encoding in the evening prior to sleep, on memory...Full Text Available
A method of measuring the water potential of stored potato tubers (Solanum tuberosum L.) was needed to investigate the relationship of bacterial soft rot in tubers to water potential....Full Text Available
In Germany, the Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area (MAK Commission) generally sets maximum workplace concentration values (i.e., a proposed occupational...Full Text Available
The author investigates the question of the maximum capacity of steam turbines in nuclear power plants when towards the end of the nineties turbo-generator units of 3,000 MW and more will be necessary as a result of increased energy demand. (TK).
ObjectiveTo investigate the effect of maternal obesity on mode of delivery following induction of labour (IOL) for prolonged pregnancy and subsequent intrapartum and neonatal complications.DesignRetrospective...Full Text Available
Acquisition of three-alternative simultaneous matching-to-sample and oddity-from-sample was investigated. Five goldfish were trained on matching and five on oddity for a minimum of 70 days. Subsequently,...Full Text Available
End binding proteins (EBs) are highly conserved core components of microtubule plus-end tracking protein networks. Here we investigated the roles of the three mammalian EBs in controlling microtubule...Full Text Available
The mechanism of metabolic energy production by malolactic fermentation in Lactococcus lactis has been investigated. In the presence of L-malate, a proton motive force composed of a membrane potential...Full Text Available
The ability of both human and hen egg white lysozymes to lyse Actinobacillus actinomycetemcomitans Y4 was investigated. Lysis was followed optically at 540 nm by measuring the percent reduction in turbidity...Full Text Available
We investigate terms with four derivatives in the low-energy action of closed Bose strings. Our analysis is consistent with the possibility that the action involves only curvatures of an affine connection with torsion. The torsion is provided by the antisymmetric tensor gauge field.
This 3-year longitudinal study investigated whether low-wage employment was associated with improved psychological and parenting outcomes in a sample of 178 single mothers who were employed...Full Text Available
The October 2000 terrorist attack on the guided-missile destroyer USS Cole (DDG 67) in the port of Aden, Yemen, is commonly viewed in the larger context of al-Qa'ida's September 11th campaign. Beyond the initial official investigations, the military force...
Investigation of Interaction of Laser Radiation with Radioactive Deposits on the metal Surface and Creation of Experimental Stand for Development of Laser Technology for Remote Treatment of Materials Contaminated with Radioactive Substances at the Atomic Power Plants
The water permeability of tissues was investigated by measuring the efflux of 3HHO from previously loaded (in darkness) etiolated bean buds (Phaseolus vulgaris L. var. Red...Full Text Available
Some vapor-dominated geothermal reservoirs and low-permeability gas reservoirs exhibit anomalous behavior that may be caused by surface adsorption. For example, geothermal reservoirs in the Larderello area of Italy and reservoirs in the Geysers Geothermal...
Established Investigators (K18) (PAR-09-090) NIH: Career Enhancement Award for Stem Cell Research (K18) (PA-09-110) NIDCD: NIDCD Research Career Enhancement Award for Established...
ObjectiveTo investigate possible differences in operative delivery rate among low-risk women, randomised to an alongside midwifery-led unit or to standard obstetric units within...Full Text Available
The authors shortly describe some basic aspects relating to probabilistic reliability calculation and to the derivation of component reliability data. (GL)
The physicochemical nature of a silicoaluminophosphate with the faujasite structure has been studied. The molecular sieve framework contains a homogeneous distribution of silicon, aluminum, and phosphorus and is negatively charged. Combustion in air of the charge-compensating organic cations produces hydroxyl groups which exhibit Broensted acidity.
This report is a continuation of the former efforts to elucidate the behavior of ferrocement concrete in static and dynamic stress fields. The influence of various reinforcements on pre and post cracking of thin sections forms the main topic of this repor...
Disorders of the adrenal gland are rare and complex, with many potential pitfalls in their management. An understanding of embryology, anatomy, physiology and biochemistry is crucial. Surgical treatment may be required for syndromes of hormonal excess and/or suspicion of neoplasia.
Study objectiveThe study aim was to improve our understanding of the relationships between contextual socioeconomic characteristics and coronary heart disease (CHD)...Full Text Available
The purpose of this investigation was to determine the interrater reliability of peak torque and total work values obtained with isokinetic measures of knee flexion and extension. Eight male and eight...Full Text Available
The inhibitory effects of indole-3-acetic acid (IAA) and 1-aminocyclopropane-1-carboxylic acid (ACC) on elongation growth of pea (Pisum sativum L.) seedling roots were investigated...Full Text Available
This paper describes the investigation into the influence of coke pore structure on the formation of nitrogen oxides and carbon monoxide during the combustion of coke. Two samples of coke were compared; pulverized coke and lump coke.
The influence of obesity on the metabolism of apolipoprotein B (apo B) in very low density lipoprotein (VLDL), intermediate density lipoprotein (IDL), and low density lipoprotein (LDL) was investigated...Full Text Available
Despite the complexity of natural systems, heterogeneity caused by the fragmentation of habitats has seldom been considered when investigating ecosystem processes. Empirical approaches that have included...Full Text Available
1. The effects of stimulation of atrial receptors on hypothalamic neurosecretory cells were investigated in anaesthetized dogs and cats. Atrial receptors were activated by stretching the left and the...Full Text Available
• Background and Aims Although mangroves have been extensively studied, little is known about their ecological wood anatomy. This investigation examined the potential use of...Full Text Available
The effects of an electric current on ethylene biosynthesis were investigated in cucumber (Cucumis sativus L.) fruit that were producing almost no ethylene. Direct currents at 0.5...Full Text Available
Exercise-training might be a logical method to reverse muscle atrophy and weakness in patients treated with glucocorticoids. The purpose of the present investigation was to establish whether a treatment...Full Text Available
This study investigated the impact of lifelong sedentariness on skeletal muscle mass and mitochondrial function. Thirty C57BL/6 strain mice (2 months) were randomly divided into three groups (young-Y;...Full Text Available
PurposeThe aim of this investigation was to exploit lens-specific glycated crystallins as an immunogen to detect human glycated crystallins and their circulating autoantibodies in...Full Text Available
... having high fluidity. The SC-51A alloy contains 4.5 to 5.5% silicon, 1 to 1.5% coppers .4 to .6% magnesium, o35% sine, .8% iron, .5% manganes*, ...
Previous studies have documented diagnostic bias and noted that its reduction could eliminate misdiagnosis and improve mental health service delivery. Few studies have investigated clinicians'...Full Text Available
Physical activity and sedentary behavior are central components of lifetime weight control; however, our understanding of dimensions of these behaviors in childhood is limited. This study investigated...Full Text Available
Childhood cancer survivors often experience complications related to cancer and its treatment that may adversely affect quality of life and increase the risk of premature death. The purpose of this...Full Text Available
Anaerobic treatment of a volatile fatty acid (VFA) mixture was investigated under psychrophilic (3 to 8°C) conditions in two laboratory-scale expanded granular sludge bed reactor stages in series....Full Text Available
Laboratory studies investigated the influence of dissolved oxygen tension (DOT) on microbial degradation of hexadecane in cultures with sediment-seawater suspensions. With a fermentor system, it was...Full Text Available
Although most self-reactive T cells are eliminated in the thymus, mechanisms to inactivate or control T cells specific for extrathymic antigens are required and exist in the periphery. By investigating...Full Text Available
The Heat Cycle Research Facility (HCRF) is an experimental binary-cycle facility used to investigate different concepts and/or components for generating electrical power from a geothermal resource. This report briefly desc
The supersymmetry in quantum mechanics and shape invariance condition are applied as an algebraic method to solving the Dirac-Coulomb problem. The ground state and the excited states are investigated via new generalized ladder operators. (author)
ObjectiveTo investigate the impact white matter hyperintensities (WMH) detected on MRI have on motor dysfunction and cognitive impairment in non-demented elderly...Full Text Available
BackgroundFourier Transform Infrared Imaging (FTIRI) is used to investigate the amide anisotropies at different surfaces of a three-dimensional cartilage or tendon block. With the...Full Text Available
The following topics are dealt with: Detectors at COSY, major physics results at COSY, physics at external facilities, theoretical investigations, COSY operation and developments, preparations for FAIR, technical developments. (HSI)
The present article studies the electret state of polymers when moving through an alternating-current corona discharge plasma and investigates means for the determination of the transition of the polymeric material from the initial state of the electret when the corona-displaying voltage is increased.
Objective:The aim of this study was to determine if there were focal cortical abnormalities in juvenile myoclonic epilepsy (JME) using neuropsychological investigations and MRI.Methods:Twenty-eight...Full Text Available
AIMS:To investigate the effect of carnitine supplementation on alcoholic malnourished rats' hepatic nitrogen content.METHODS:Malnourished rats, on...Full Text Available
In this paper, an investigation was performed on a failure pressure vessel, which was as an anti-freezing heater for General Gas Storage and Distribution (SGZ) system. Evident and serious deformation was observed on the body of the vessel. A metallurgical investigation was conducted to establish the mechanism and cause of deformation of the anti-freezing heater at Daya Bay PWR station in China. The investigation, which was performed on specimens cut from the most serious area deformed of the vessel, included macroscopic examination and microscopy examination. The results of the examinations showed that some lamellar pearlite in the microstructure were already spheroidized. It was confirmed that the vessel was operated at high temperature. Stress analysis for the vessel was conducted. And it was confirmed that, in ideal conditions, the vessel would be deformed at around 420 C. The overall results of the ...
AIM: To investigate clinical characteristics associated with the presence of irritable bowel syndrome (IBS) symptoms in hemodialysis (HD) patients.METHODS: This was a cross-sectional study. A...Full Text Available
The objectives of this study were to investigate the flocculation/flotation characteristics of combined sewer overflow through laboratory and field testing. The concept involves the introduction of chemicals and buoyant flotation aids into the overflow and the subsequent cofloccu...
Aims: To investigate the exposure to dinitrotoluene (DNT) and trinitrotoluene (TNT) and the resulting effects in workers which occur during the disposal of military waste. Methods:...Full Text Available
Scraped-surface heat transfer augmentation is proposed as a possible technique for use in improved air-cooling designs. Although it has been in common use with liquids, the technique has apparently never been used with gases. An experimental investigation...
ObjectivesThe aim of this study was to investigate the effect of cigarette smoking on clinical parameters and signs anemia of chronic disease in chronic periodontitis patients.Full Text Available
The aim of this study was to investigate the effect of erythropoietin (EPO) on histological brain injury, subventricular zone (SVZ) expansion, and sensorimotor function deficits induced by hypoxia-ischemia...Full Text Available
The contents of the report include: Identification, documentation and delineation of coastal migratory bird habitat; and an annotated bibliography of literature on Alaska Water Birds.
The purpose of this study was to investigate whether genetically determined properties of muscle metabolism contribute to the exceptional physical endurance of world-class distance runners. ATP, phosphocreatine,...Full Text Available
Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available
The importance of intact host defense mechanisms for successful antimicrobial therapy was investigated in an animal model. Recovery from lobar pneumococcal pneumonia as a result of penicillin therapy...Full Text Available
This report documents the collaborative effort between the United States and Canada to investigate the impact of process-induced defects on strength and stiffness under static and fatigue loading and for low-cost composite aircraft structures, in particul...
The roles played by environmental factors in seasonal changes in microbial populations were investigated in the Tvärminne area, off the southern coast of Finland. Surface-layer samples were...Full Text Available
The electrical parameters that affect young seedling growth were investigated. Voltages ranging from 5 to 40 volts were applied longitudinally along the mesocotyl region of 4-day old Zea mays...Full Text Available
Objective:To investigate the combined effect of both pioglitazone and methotrexate on disease activity of rheumatoid arthritis in a biphasic study; experimental and clinical.Methods:Experimentally:...Full Text Available
BackgroundOne-stage implant placement has clinically acceptable treatment outcomes. Among other advantages, it may allow investigation of early wound healing. The...Full Text Available
Background:The present study measured longitudinal changes in bone turnover markers in elderly patients with vertebral fracture and investigated the relationship among bone turnover...Full Text Available
The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...
Soybean (Glycine max) is a paleopolyploid whose genome has gone through at least two rounds of polyploidy and subsequent diploidization events. Several studies have investigated the...Full Text Available
On the basis of the phenomenological model for baryon resonance production in lepton nucleon and lepton nucleus scattering we investigate to what extent quark hadron duality is applicable to the neutrino structure functions and how it compares with duality in electron scattering.
BackgroundHip dislocation after arthroplasty for femoral neck fractures remains a serious complication. The aim of our study was to investigate the dislocation rate in acute femoral...Full Text Available
BackgroundThe purpose of our investigation was to compare a digital templating system to conventional templating techniques when preoperatively planning for total hip arthroplasty.MethodsWe...Full Text Available
Using a ligature-induced model in type-2 Zucker diabetic fatty (ZDF) rat and normoglycemic littermates, we investigated whether diabetes primarily affects periodontitis by enhancing bone loss...Full Text Available
We sequenced 16S rRNA genes from the vaginal swab contents of a postmenopausal woman with asymptomatic bacterial vaginosis (BV). Sequences from Atopobium vaginae were the most commonly...Full Text Available
A summary of research conducted during the first year is presented. The research objectives were sought by conducting two tasks: (1) investigation of probabilistic design techniques for reliability-based design of composite sandwich panels, and (2) examin...
BackgroundThis study investigated the knowledge of depression and preference for professional help, medications and treatment methods among Australians of Chinese-speaking background,...Full Text Available
Tissue microarray technology (TMA) is a relatively new approach for efficiently and economically assessing protein and gene expression across large ensembles of tissue specimens. Tissue microarray technology...Full Text Available
A 23-year-old woman presented to our hospital with nonspecific pain in the abdomen. She underwent radiological investigations, which revealed a solid and cystic mass in the tail end of the pancreas....Full Text Available
The biological and radiobiological peculiarities of seeds and seedlings of the Rumex confertus and Lupinus polycolor plants, which grown during several generations in plots with different level of radionuclide pollution of the Chernobyl exclusive zone have been investigated.
BackgroundEffective prevention of excessive alcohol use has the potential to reduce the public burden of disease considerably. We investigated the cost-effectiveness of Screening...Full Text Available
This analysis, submitted in support of proposed effluent limitations guidelines and standards for the centralized waste treatment (CWT) industry, investigates the cost-effectiveness of 24 regulatory options, representing all possible combinations of nine ...
Aims:To investigate the relationship between the duration of comatose state, severity of rhabdomyolysis and frequency of peripheral nerve injury (PNI) in patients following...Full Text Available
Objectives. The inescapable relationship between chronic inflammation and carcinogenesis has long been established. Our objective was to investigate COX-2 and NF-κB...Full Text Available
The incorporation of [14C]phenylalanine and [1,6-14C]shikimic acid into tyrosine was investigated in the callus of Portulaca grandiflora, var. JR (L.). By inhibiting...Full Text Available
BackgroundInvestigation of the functioning of the brain in living systems has been a major effort amongst scientists and medical practitioners. Amongst the various disorder of the...Full Text Available
BackgroundIn cancer research, most clinical variables have already been investigated and are now well established. The use of transcriptomic variables has raised two problems: restricting...Full Text Available
AIM: To investigate the relation of Fas and Fas ligand (FasL) protein expression with carcinogenesis and metastasis of gastric carcinoma.METHODS: Immunohistochemistry was used to detect Fas and...Full Text Available
BackgroundUntil now only limited research has been done on the prevalence of chronic pain in primary care. The aim of this investigation was to study the health care utilisation...Full Text Available
Possible associations between environmental hazards and the occurrence of childhood leukemia were investigated in Woburn, MA, for the period 1969-79. Residents of Woburn were concerned over what they...Full Text Available
Three areas have been investigated: coal liquefaction with supercritical fluids, liquefaction by extraction with high boiling liquid solvents, and the production of resins from coal-derived hydrocarbons. The processes are described.
1. The effect on rat liver peroxisomal beta-oxidation of feeding diets containing various amounts of dietary oils was investigated. With increasing amounts (5-25%, w/w) of soya-bean oil an apparent,...Full Text Available
Investigations of psychrotrophic microorganisms have been limited even though the dominant environment of the Earth is cold and enzymes with high activities at low temperatures could have commercial...Full Text Available
The effects of sennosides on colonic motility were investigated in eight conscious dogs chronically fitted with two strain gauge transducers in the proximal colon, an intracolonic silicone catheter...Full Text Available
Reproductive aging in males is characterized by a diminution in sexual behavior beginning in middle age. We investigated the relationships among testosterone, androgen receptor (AR) and estrogen...Full Text Available
Diel variations in rates of C export, sucrose-phosphate synthase (SPS) and sucrose synthase (SS) activity, and C reserves were investigated in Zostera marina L. (eelgrass) to elucidate the environmental...Full Text Available
An investigation was carried out to determine the effectiveness of Nomex summer flying coveralls printed with a camouflage pattern as compared with the standard plain olive green coveralls. Laboratory tests indicated that camouflage printing of staple Nom...
BackgroundBiomarkers play a key role in risk assessment, assessing treatment response, and detecting recurrence and the investigation of multiple biomarkers may also prove useful...Full Text Available
Two additional hyperfine components of the interstellar radical C3H were detected. In addition, methanol was discovered in interstellar clouds. The abundance of HCCN and various chemical isomers in molecular clouds was investigated.
Biodegradation/solubilization of coal is described. The degradation of dibenzothiophene by two bacterial strains is reported. The effects of adding salicylate to the treatments was also investigated. 2 figs., 5 tabs. (CBS)
This book contains 8 papers including the topics of: Spray and Flame Structure in Diesel Combustion; Experimental and Theoretical Investigations of Diesel Injection Transients; Lead-Fuel Governor System - Dual-Fuel Engine; Fuel Spray Modeling in Swirling Flows.
Alterations in basement membrane components, notably proteoglycans, in a rat model of polycystic kidney disease have been investigated. Rats were fed phenol II (2-amino-4-hydroxyphenyl-5-phenyl thiazole)...Full Text Available
AIM: To investigate atrial natriuretic peptide (ANP) secretion from gastric mucosa and the relationship between the ANP/natriuretic peptide receptor type A (NPR-A) pathway and diabetic gastroparesis.METHODS:...Full Text Available
Carbon steel, copper, zinc and aluminium samples were exposed in different sizes with known ambient parameters in Gran Canaria Island and atmospheric corrosion was investigated. Weight-loss measurements used to determine corrosion damage were complemented...
A survey was conducted at 15 textile plants with dyehouses in western Sweden. Employees with a history of work related rhinitis, asthma, or skin symptoms were offered a clinical and immunological investigation...Full Text Available
This study was performed to investigate the association between hair mineral levels and nutrient intakes, age, and BMI in female adults who visited a woman's clinic located in Seoul. Dietary intakes...Full Text Available
Background:Erectile dysfunction in type-2 diabetes may be an independent marker for coronary artery disease. Present study was undertaken to investigate whether type-2 diabetic...Full Text Available
Several investigations suggested abnormalities in circadian rhythms are related to the pathophysiology of psychiatric disorders, including drug addiction. Recently, orphan nuclear receptor rev-erb alpha...Full Text Available
This study investigates the doctrinal guidance available to a corps headquarters if required to serve as ajoint task force headquarters and simultaneously be required to warfight the corps. The study contends that a corps being required to simultaneously ...
One of the main obstacles encountered when trying to culture human seminoma (SE) cells in vitro is massive degeneration of the tumour cells. We investigated whether dissociation of tumour tissue, to...Full Text Available
Antinociceptive and anti-inflammatory activities of the ethanol extract from Annona muricata L. leaves were investigated in animal models. The extract delivered per oral route (p.o.)...Full Text Available
The annealing behavior of the radiation damage in epitaxial Pd_2Si and NiSi_2 films on Si, due to the implantation of 100 keV Ar ions, is investigated by using the channeling technique with "4He ions. (U.K.).
The chlorophyll fluorescence characteristics of mesophyll and bundle-sheath thylakoids from plant species with the C4 dicarboxylic acid pathway of photosynthesis were investigated using flow cytometry....Full Text Available
The distribution and activity of communities of sulfate-reducing bacteria (SRB) and methanogenic archaea in two contrasting Antarctic sediments were investigated. Methanogenesis dominated in freshwater...Full Text Available
Anaerobic reactions of Rhus vernicifera laccase and its type-2 copper-depleted derivatives with hexacyanoferrate(II) were investigated by absorption and e.s.r. spectroscopy. When native laccase was...Full Text Available
We investigated the deep-sea fossil record of benthic ostracodes during periods of rapid climate and oceanographic change over the past 20,000 years in a core from intermediate depth in the northwestern...Full Text Available
OBJECTIVES: Although the tricyclic antidepressant amitriptyline is extensively used in the prophylactic treatment of chronic tension-type headache, only few studies have investigated the efficacy of...Full Text Available
The lung of the lesser bushbaby (Galago senegalensis) has been investigated morphologically and morphometrically using the transmission and scanning electron microscopes. Grossly and microscopically,...Full Text Available
BackgroundFew studies have yet addressed the effects of di(2-ethylhexyl) phthalate (DEHP) in house dust on human nasal mucosa.ObjectivesWe investigated...Full Text Available
Objectives:There is no study about correlation between vitamin D serum level and multiple sclerosis (MS) in Iran. So in this survey, we investigated the serum level of 25-hydroxy...Full Text Available