Energy Technology Data Exchange (ETDEWEB)

This conference was held December 4--8, 1994 in Asilomar, California. The purpose of this meeting was to provide a forum for exchange of state-of-the-art information concerning the prediction of protein structure. Attention if focused on the following: comparative modeling; sequence to fold assignment; and ab initio folding.

Energy Technology Data Exchange (ETDEWEB)

This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

Energy Technology Data Exchange (ETDEWEB)

There is no abstract currently available for this item

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

Energy Technology Data Exchange (ETDEWEB)

By ab-initio calculation we show that the (Ga,Fe)N ground state may be changed from anti-ferromagnetic to ferromagnetic by acceptor defect like Ga vacancies. The electronic structures are calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that we can increase the magnetic moment of Fe in p-type GaN by oxygen co-doping. Mechanism of exchange interactions between magnetic ions in p-type (Ga,Fe)N is also studied. The effect of external magnetic field on the electronic structure of (Ga, Fe)N and p-type (Ga, Fe)N is investigated.

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, while the conduction bands consist mainly of the Pd 4d states and O 2p states. In ...

UK PubMed Central (United Kingdom)

Genetic algorithms (GA) were used to develop specific copper metal-ligand force field parameters for the MM3 force field, from a combination of crystallographic structures and ab initio...Full Text Available

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

International Nuclear Information System (INIS)

Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the ...

International Nuclear Information System (INIS)

By using a variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near the antiferromagnetic (AF) quantum critical point largely reduce the antiferromagnetic ordered moment. Our derived model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also accounts for the diversity from LaFePO, BaFe_2As_2 to FeTe. Electron correlation is found to determine the observed material dependence. We also find that LaFeAsO is subject to large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties. (author)

International Nuclear Information System (INIS)

The structure of ammonium azide (NH_4)N_3 was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A"3; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

Science.gov (United States)

Ab initio lattice dynamics based on linear response method are performed for high pressure phase of yttrium to describe electron-phonon coupling and subsequent superconducting behavior. The critical temperature Tc in fcc-Y increases monotonically with pressure up to 9.25 K at 31 GPa, which is quantitatively in excellent agreement with two quasihydrostatic experiments and is qualitatively compatible with recent experiments. The excellent agreement with experiments gives us a better understanding of the effective pseudopotential ?* as well as spectral function ?2(?)F(?) in yttrium. These results demonstrate that there exists strong electron-phonon coupling in Y within the studied pressure regime, and for lower pressure electron correlation becomes stronger. Generally, it is found that superconductivity in yttrium under pressure can be described quantitatively within standard theory of phonon-mediated superconductivity.

Energy Technology Data Exchange (ETDEWEB)

Ab initio planewave pseudopotential method is used to study carbon diffusion and pairing in crystalline silicon. The calculation is performed with a 40 Ry planewave cutoff and 2x2x2 special k-point sampling with a supercell of 64 atoms. It is found that substitutional carbon attracts interstitial Si forming a <001> C interstitial with a large binding energy of 1.45 eV. The interstitial carbon is mobile and can migrate with a migration energy of 0.5 eV. The interstitial carbon can bind further to another substitutional carbon forming a substitutional carbon-interstitutional carbon pair with a binding energy of 1.0 eV. This model is used to understand the effect of high C concentration on the transient enhanced diffusion in Si.

Energy Technology Data Exchange (ETDEWEB)

This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

Energy Technology Data Exchange (ETDEWEB)

We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

International Nuclear Information System (INIS)

Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid ...

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within this range of validity, it provides an ...

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

We present results from ab-initio electronic-structure calculations of mechanical properties of the rhombohedral phase of vanadium reported in recent experiments (R Ia), and other predicted high-pressure phases (R Ib and bcc), focusing on properties relevant to dynamic experiments. We find that of the three transitions the largest volume collapse (1.3%) is for the R Ia to R Ib transition. Calculations of the single crystal and polycrystal elastic constants reveal a remarkably small discontinuity across the phase transitions even at zero temperature where the transitions are first order.

British Library Electronic Table of Contents (United Kingdom)

By means of ab-initio electronic structure calculation and one-dimensional Boltzmann transport equation solution, we investigate the size dependent thermoelectric (TE) properties of n-type ZnO nanowires (NWs) and surface passivation effects. As demonstrated by our calculations, largest figure of merit ZT achievable in thin NWs is larger than that in wide NWs, whereas being restrained by higher demand of n-type doping. Moreover, bare NWs are superior in TE application comparing with the passivated. To compete with conventional TE materials, lattice thermal conductivity of ZnO NWs should be at least 2 orders of magnitude lower than bulk value.

International Nuclear Information System (INIS)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics.

Energy Technology Data Exchange (ETDEWEB)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

Energy Technology Data Exchange (ETDEWEB)

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.

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the ...

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

International Nuclear Information System (INIS)

We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa_2Cu_3O_7, Bi_2Sr_2CaCu_2O_8, and Tl_2Ba_2CaCu_2O_8 using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa_2Cu_3O_7 and Tl_2Ba_2CaCu_2O_8, but the calculated positron density is quite sensitive to correlation in Bi_2Sr_2CaCu_2O_8. While the positron wave function samples primarily the chain region in YBa_2Cu_3O_7, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl_2Ba_2CaCu_2O_8 since a large overlap with these states is predicted.

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of ...

British Library Electronic Table of Contents (United Kingdom)

The aim of this study was to evaluate cucurbitacins (Cucs) liver protective activity in vitro and conduct QSAR studies against lipophilicity and ab initio descriptors. Nine Cucs were isolated from Cucurbitaceae plants and eight prepared by C2-alkylation or C16-acylation. Ten Cucs demonstrated protective activity on human hepatocyte-derived HepG2 cells exposed to CCl4 (EC50=2.4-45.3mM) with good margin to toxicity (T/A). All Cucs exhibited anti-proliferative effect on serum-activated rat stellate cells, HSC-T6 (EC50=0.02-4.12mM) with high T/A. While silybin is nontoxic, its protection is lower compared to Cuc D (3), iso-D (4), I (5), B (11), E (12), I-Me (6), L-Me (7), and E-Me (13) on both cell lines. Strong correlations were found for lipophilicity with both protection and toxicity on Hep...

International Nuclear Information System (INIS)

In the presence of hydroxyl anion, both formaldehyde and glyoxal are known to undergo rearrangements involving intermolecular and intramolecular hydride transfer (the Cannizzaro and Benzilic acid rearrangements respectively). The authors report ab initio SCF-MO calculations of the transition state geometries, the activation barriers, and the hydrogen isotope effects for these two reactions. The structure of the transition state for the rection involving formaldehyde is usually basis set dependent, becoming more linear and symmetrical as the basis set size increases. In contrast, the analogous transition state for the glyoxal reaction involves a highly non-linear hydride transfer. They find the isotope effects to be quite low for the Cannizzaro reaction, and significantly larger for the non-linear benzilic acid rection, in apparent contradiction to Westheimer's suggestion the isotope effects reach a maximum for linear hydrogen transfers. Since ...

Energy Technology Data Exchange (ETDEWEB)

The isotope shifts of the levels 5p/sup 2/ /sup 1/D/sub 2/, /sup 1/S/sub 0/ and 5sns /sup 1/S/sub 0/(n = 7,8) of strontium have been measured between the isotopes 84, 86, 87 and 88 in two-photon transitions from the ground state, using two lasers with different wavelengths. These levels occur below the beginning of the Rydberg series, and are known to exhibit very strong configuration mixing. Mass and field isotope shifts are calculated ab initio by means of the MCHF method for these levels and 5s4d /sup 1/D2, 5s6s /sup 1/S/sub 0/. The qualitative agreement between theory and experiment confirms the necessity of taking into account the mixing (up to 50%) with both the 5p/sup 2/ and 4d/sup 2/ perturbers in the wavefunction expansions.

CERN Document Server

We show that accretion disks, both in the subcritical and supercritical accretion rate regime, may exhibit significant amplitude luminosity oscillations. The luminosity time behavior has been obtained by performing a set of time-dependent 2D SPH simulations of accretion disks with different values of alpha and accretion rate. In this study, to avoid any influence of the initial disk configuration, we produced the disks injecting matter from an outer edge far from the central object. The period of oscillations is 2 - 50 s respectively for the two cases, and the variation amplitude of the disc luminosity is 10^38 - 10^39 erg/s. An explanation of this luminosity behavior is proposed in terms of limit cycle instability: the disk oscillates between a radiation pressure dominated configuration (with a high luminosity value) and a gas pressure dominated one (with a low luminosity value). The origin of this instability is the difference between the heat produced by viscosity and the energy ...

CERN Document Server

Without using any moduli, sheaves, stacks, nor any analytic, nor category-type arguments, we exhibit an analogue to Geometric Langlands Theory in an entirely model-independent, non-perturbative,purely smooth topological context in Artin Presentation Theory. A basic initial feature is that AP Theory, as a whole, is already, ab initio, a universal canonical 2D sigma-model, targeting smooth, compact, simply-connected 4-manifolds with a connected boundary, and its topological Planckian quantum starting point, as well as its cone-like, infinitely-generated at each stage, graded group of homology-preserving, but topology-changing transitions/interactions, exhibit the most general qualitative S-duality. We first point out the numerous mathematically rigorous, model-free, (i.e., intrinsic), topological AP analogues with the heuristic Kapustin-Witten version of Geometric Langlands theory, as well as the crucial differences between the two theories. The ...

British Library Electronic Table of Contents (United Kingdom)

A new chemical reactor, the Open Plate Reactor, is being developed by Alfa Laval AB. It combines good mixing with high heat transfer capacity into one operation. With the new concept, highly exothermic reactions can be produced using more concentrated reactants. A nonlinear model of the reactor is derived and a control system is developed. For temperature control a cooling system is designed and experimentally verified, which uses a mid-ranging control structure to increase the operating range of the hydraulic equipment. A Model Predictive Controller is proposed to maximize the conversion under hard input and state constraints. An extended Kalman filter is designed to estimate unmeasured concentrations and parameters. Simulations show that the designed control system gives high conversion ...

Energy Technology Data Exchange (ETDEWEB)

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. ...

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position parameter u, S-S bond length, and the indirect band gap of pyrite FeS_2 are ...

Energy Technology Data Exchange (ETDEWEB)

From the crystal field analysis of optical absorption spectra on monoclinic S.G. P2{sub 1}/c MgNd(BO{sub 2}){sub 5}, where Nd{sup 3+} occupies a single crystallographic position with no symmetry elements, energy level schemes and an expression of the associated wavefunctions for the 4f{sup 3} configuration of Nd{sup 3+} have been derived, considering approximate C{sub 2v} and C{sub s} (C{sub 2}) symmetries. Despite of the low symmetry of Nd{sup 3+}, resulting rms deviations between calculated and experimental levels are very satisfactory. The composition of the crystal field wavefunctions from both sets of phenomenological free-ion and crystal field parameters has been checked through a calculation of the thermal evolution of the paramagnetic susceptibility {chi}, according to the Van Vleck formula. The same simulation was performed with crystal field parameters (CFPs) resulting from the ab initio simple overlap model (SOM), considering the ...

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, independent of temperature. ...

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative recombination rates being used currently in ...

Energy Technology Data Exchange (ETDEWEB)

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 indicate that these ...

UK PubMed Central (United Kingdom)

Abs facilitate humoral immunity via the classical mechanisms of opsonization, complement activation, Ab-dependent cellular cytotoxicity, and toxin/viral neutralization. There is also evidence that some...Full Text Available

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

Radioisotopes of Pb(II) have been of some interest in radioimmunotherapy and radioimmunoimaging (RII). However, the absence of a kinetically stable bifunctional chelating agent for Pb(II) has hampered its use for these applications. "2"0"3Pb (T_1_/_2=52.02 h) has application potential in RII, with a #gamma#-emission that is ideal for single photon emission computerized tomography, whereas "2"1"2Pb (T_1_/_2=10 h) is a source of highly cytotoxic #alpha#-particles via its decay to its "2"1"2Bi (T_1_/_2=60 min) daughter. The synthesis of the novel bifunctional chelating agent 2-(4-isothiocyanotobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra-(2-carbamoyl methyl)-cyclododecane (4-NCS-Bz-TCMC) is reported herein. The Pb[TCMC]"2"+ complex was less labile to metal ion release than Pb[DOTA]"2"- at pH 3.5 and below in isotopic exchange experiments. In addition to increased stability to Pb"2"+ ion release at low pH, the bifunctional TCMC ligand was found to have many other ...

International Nuclear Information System (INIS)

Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...

International Nuclear Information System (INIS)

... aromatics barium dienes heat exchangers ion exchange ions kinetic equations

International Nuclear Information System (INIS)

Tripartite efflux systems are responsible for the export of toxins across both the inner and outer membranes of Gram negative bacteria. Previous work has indicated that EmrAB-TolC from Escherichia coli is such a tripartite system, comprised of EmrB an MFS transporter, EmrA, a membrane fusion protein and TolC, an outer membrane channel. The whole complex is predicted to form a continuous channel allowing direct export from the cytoplasm to the exterior of the cell. Little is known, however, about the interactions between the individual components of this system. Reconstitution of EmrA + EmrB resulted in co-elution of the two proteins from a gel filtration column indicating formation of the EmrAB complex. Electron microscopic single particle analysis of the reconstituted EmrAB complex revealed the presence of particles approximately 240 x 140 A, likely to correspond to two EmrAB dimers in a back-to-back ...

International Nuclear Information System (INIS)

English 2004 [2 p.] Brazil Soares, SF Dire, Glaucio Abreu, Paulo Jesus,

UK PubMed Central (United Kingdom)

The multidrug efflux transporter AcrAB-TolC is known to pump out a diverse range of antibiotics, including β-lactams. However, the kinetic constants of the efflux process, needed for the quantitative...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Ammonia borane (AB) and sodium borohydride (SBH) are candidate materials for on-board hydrogen storage that can be dehydrogenated upon demand. The rheological properties of the dehydrogenated by-products are important to quantify their removal and transportability from the hydrogen storage system. This paper presents visco-elastic property (elastic stiffness and viscous damping) measurements of the spent fuels obtained from AB hydrolysis, hydrothermolysis and thermolysis; and SBH hydrolysis. Smaller stiffness and larger mobility (or smaller viscous damping) indicate better transportability of the spent fuel. In addition, flow property (dynamic angle of repose and avalanching time) measurements for the hydrolysis spent fuels of AB and SBH are also presented. Comparing with the SBH hydrolysis spent fuel, the AB hydrolysis spent fuel had a lower stiffness and larger mobility, as well as lower angles of ...

Energy Technology Data Exchange (ETDEWEB)

Nickel-based alloys are presently used as brazing filler metals for components which undergo mechanical stress in corrosive conditions, f. e. heat exchangers. When soldering chrome containing steel parts with nickel based brazing filler metals additionally containing boron and silicon a reaction of chrome and boron can occur. This evolution of chromium borides, depositing on grain boundaries, causes a lack of chrome in the steel part. A drop of the chrome content in the parts below 13 % leads to a loss of corrosion resistance. It is possible to change the microstructure of brazing joints by modification with chromium and molybdenum. Continuous brittle phases could be successfully avoided with this modification. Furthermore it could be shown that the choice of additives, the heating respectively cooling rate and the brazing temperature have important influence on the microstructure evolution and therefore on the mechanical and corrosive properties of joints. ...

British Library Electronic Table of Contents (United Kingdom)

Aberrant amyloid-b peptide (Ab) accumulation along with altered expression and function of nicotinic acetylcholine receptors (nAChRs) stand prominently in the etiology of Alzheimer's disease (AD). Since the discovery that Ab is bound to a7 nAChRs under many experimental settings, including post-mortem AD brain, much effort has been expended to understand the implications of this interaction in the disease milieu. This research update will review the current literature on the a7 nAChR-Ab interaction in vitro and in vivo, the functional consequences of this interaction from sub-cellular to cognitive levels, and discuss the implications these relationships might have for AD therapies.

British Library Electronic Table of Contents (United Kingdom)

Abstract Hepatitis B (HBV) and C (HCV) viruses are the most important infections transmitted by the parenteral route in patients receiving maintenance dialysis. The prevalence varies markedly from country to country. The aim of this study is to review the efficacy of the strategies to reduce the incidence of these infections and the trend of results in Iran. As a routine, all hemodialysis patients in Iran have biannual blood samples for assessment of serum HBSAg, HBS Abs, and HCV Abs. The data are collected in the Ministry of Health. For statistical analysis, prevalence, and incidence were calculated. There is an increasing prevalence/incidence of end-stage renal disease (ESRD) in Iran, from 238/49.9 pmp in 2000 to 357/63.8 pmp in 2006. The prevalence of positive HBSAg and HCV Abs decrease...

Wastenet

... Reduce partner costs, save time, and overcome delays in data transmission. Data Exchanges States are currently submitting data to each other and to the EPA in the exchanges listed below. Data Exchanges are typically referred to by their acronyms, which are listed below. To find out more about EPA data exchanges, please follow the links to EPA Web sites. AQS - Air Quality Sub-system (...

Science.gov (United States)

... QVUX`TcYWjRSZ[YXTeof\\OWXabgn]egig[Z^S]^`PhlWOe_W\\V_DKFFNZSMVT_NT[QXOMX\\\\TY] aSRd[^roan`rdt[\\] pedel\\_ YWdrR`ehUodbi`_abXUbi_O[\\i[ZSfZHX^Zkhc_T^jav ...

British Library Electronic Table of Contents (United Kingdom)

The levels of General Transcription Factor (TF) IIA were examined during mammalian brain development and in rat embryo fibroblasts and transformed cell lines. The large TFIIA subunit paralogues ab and t are largely produced in unsynchronized cell lines, yet only TFIIA ab is observed in a number of differentiated tissue extracts. Steady-state protein levels of the TFIIA t, ab, and g subunits were significantly reduced when human embryonal (ec) and hepatic carcinoma cell lines were stimulated to differentiate with either all-trans-retinoic acid (ATRA) or sodium butyrate. ATRA-treated NT2-ec cells required replating to induce a neuronal phenotype and loss of detectable TFIIA t and g proteins. High levels of TFIIA t, ab, and g and Sp factors were identified in extracts from human fetal and rat...

UK PubMed Central (United Kingdom)

Background/Objective:Three patients with spinal cord injury (SCI) and 3 able-bodied (AB) patients were infused with naloxone during a study to examine their neuroendocrine...Full Text Available

UK PubMed Central (United Kingdom)

The agglutination of human platelets by ristocetin and von Willebrand factor was inhibited by aggregated immunoglobulin (Ig)G and by Fc fragments of IgG, but not by Fab, F(ab′)₂ or...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The device is designed for automatic testing of the degree of discharge of tractive storage batteries (AB) for electric loaders, electric cars and electric ore locomotives. The basic electrical schematic of the device is cited.

UK PubMed Central (United Kingdom)

A new analysis is presented which links real volume fractions, relaxation rates, and intracompartmental exchange rates directly with apparent volume fractions and relaxation rates obtained from biexponential...Full Text Available

Science.gov (United States)

A compact heat exchanger pedestal array for augmenting heat transfer in a machine is disclosed. The compact heat exchanger pedestal array includes a wall having first and second surfaces. The first surface faces a heated flow path and the second surface p...

Energy Technology Data Exchange (ETDEWEB)

A {lambda}gt11 cDNA library was constructed from poly(U)-Spharose-selected Entamoeba histolytica trophozoite RNA in order to clone and identify surface antigens. The library was screened with rabbit polyclonal anti-E. histolytica serum. A 700-base-pair cDNA insert was isolated and the nucleotide sequence was determined. The deduced amino acid sequence of the cDNA revealed a cysteine-rich protein. DNA hybridizations showed that the gene was specific to E. histolytica since the cDNA probe reacted with DNA from four axenic strains of E. histolytica but did not react with DNA from Entamoeba invadens, Acanthamoeba castellanii, or Trichomonas vaginalis. The insert was subcloned into the expression vector pGEX-1 and the protein was expressed as a fusion with the C terminus of glutathione S-transferase. Purified fusion protein was used to generate 22 monoclonal antibodies (mAbs) and a mouse polyclonal antiserum specific for the E. histolytica portion of the fusion protein. ...

International Nuclear Information System (INIS)

The helicase action of the Escherichia coli UvrAB complex on a covalently closed circular DNA template was monitored using bacterial DNA topoisomerase I, which specifically removes negative supercoils. In the presence of E. coli DNA topoisomerase I and ATP, the UvrAB complex gradually introduced positive supercoils into the input relaxed plasmid DNA template. Positive supercoils were not produced when E. coli DNA topoisomerase I was replaced by eukaryotic DNA topoisomerase I or when both E. coli and eukaryotic DNA topoisomerases I were added simultaneously. These results suggest that like other DNA helix-tracking processes, the ATP-dependent action of the UvrAM complex on duplex DNA simultaneously generates both positive and negative supercoils, which are not constrained by protein binding but are torsionally strained. The supercoiling activity of UvrAB on UV-damaged DNA was also studied using UV-damaged plasmid DNA and a ...

UK PubMed Central (United Kingdom)

The oxygen production of a photosynthetic gas exchanger containing Chlorella pyrenoidosa (1% packed cell volume) was measured when various concentrations of carbon dioxide were present...Full Text Available

KoreaScience (Korea)

Full Text Available

J-STORE (Japan)

Full Text Available

KoreaScience (Korea)

Full Text Available

DEFF Research Database (Denmark)

Udgivelsesdato: October 2004

CERN Document Server

This paper shows that a well designed transport system has an embedded exchange value by serving as a market for potential exchange between consumers. Under suitable conditions, one can improve the welfare of consumers in the system simply by allowing some exchange of goods between consumers during transportation without incurring additional transportation costs. We propose an explicit valuation formula to measure this exchange value for a given compatible transport system. This value is always nonnegative and bounded from above. Criteria based on transport structures, preferences and prices are provided to determine the existence of a positive exchange value. Finally, we study a new optimal transport problem with an objective taking into account of both transportation cost and exchange value.

Energy Technology Data Exchange (ETDEWEB)

A method is described of controlling an anodic protection system in a heat exchanger comprising: (a) installing at least one cathode within the heat exchanger, at least one cathode being aligned with the longitudinal axis of the heat exchanger and extending substantially along the length of the heat exchanger; (b) installing a first reference electrode within and at one end of the heat exchanger, the first reference electrode having a first controller having a set point for control and a power supply having an output creating an electrical potential between at least one cathode and the heat exchanger; (c) measuring the electrical potential of the heat exchanger with the first reference electrode; (d) operating the first controller in response to measurements made by the first reference electrode to change the output of the power supply; (e) ...

Science.gov (United States)

We present evidence for the creation of an exchange spring in an antiferromagnet due to exchange coupling to a ferromagnet. X-ray magnetic linear dichroism spectroscopy on single crystal Co/NiO(001) shows that a partial domain wall is wound up at the surface of the antiferromagnet when the adjacent ferromagnet is rotated by a magnetic field. We determine the interface exchange stiffness and the antiferromagnetic domain wall energy from the field dependence of the direction of the antiferromagnetic axis, the antiferromagnetic pendant to a ferromagnetic hysteresis loop. The existence of a planar antiferromagnetic domain wall, proven by our measurement, is a key assumption of most exchange bias models.

Energy Technology Data Exchange (ETDEWEB)

In this study, SnO{sub 2} thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (T{sub s} = 440 {sup o}C). The precursors were methanol CH{sub 4}O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T({lambda}) and reflectance R({lambda}) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity {psi}{sub AB}. The obtained value: {psi}{sub AB} {approx} 23.4 m{sup 3} s{sup -1} helped situating the performance of the as-grown SnO{sub 2} compound among most known PV-T oxides like ZnO and TiO{sub 2}.

Energy Technology Data Exchange (ETDEWEB)

The diagnosis of dialysis-related amyloid (AB-amyloid) has been based usually on clinical and radiological criteria. Following the discovery that beta 2-microglobulin was the major protein of this amyloid, we isolated and radiolabelled uremic plasma beta 2-microglobulin. After intravenous injection, gamma-camera images of selected joint areas were obtained from 42 patients who were on regular hemodialysis therapy. Positive scans involving the shoulder, hip, knee and carpal regions were found in 13 of 14 patients treated for more than 10 years and 10 of 16 patients treated for 5 to 10 years. Patients treated for less time had negative scans. Specificity was indicated by negative scans in non-amyloid inflammatory lesions in control hemodialysis patients. Up to 48-fold tracer enrichment was detected in excised AB-amyloid containing tissue as compared to amyloid-free tissue. These findings suggest that circulating radiolabelled beta 2-microglobulin ...

British Library Electronic Table of Contents (United Kingdom)

Amyloid precursor protein (APP), a key protein in pathogenesis of Alzheimer's disease (AD), is a type I transmembrane protein which can be cleaved by b- and g-secretase to release the amyloidogenic b-amyloid peptides (Ab) and the APP intracellular domain (AICD). While Ab has been widely believed to initiate pathogenic cascades culminating AD, the physiological functions and regulations of AICD remain elusive. In present study, endogenous AICD was demonstrated to be increased by canonical Wnt signal. Instead of due to g-secretase activity, enhanced AICD expression was found due to the increased protein stability by Wnt/b-catenin. b-Catenin was demonstrated to be an associating partner of AICD, capable of promoting AICD mediated transcriptional activity. Investigation by AICD mutants proved ...

British Library Electronic Table of Contents (United Kingdom)

Alzheimer's disease (AD) is a neurodegenerative disorder for which the research of new treatments is highly challenging. Since the fibrillogenesis of amyloid-b peptide 1-42 (Ab1-42) peptide is considered as a major cause of neuronal degeneration, specific interest has been focused on aromatic molecules for targeting this peptide. In this paper, the synthesis of selegiline-functionalized and fluorescent poly(alkyl cyanoacrylate) nanoparticles (NPs) and their evaluation for the targeting of the Ab1-42 peptide are reported. The synthetic strategy relied on the design of amphiphilic copolymers by tandem Knoevenagel-Michael addition of cyanoacetate derivatives, followed by their self-assembly in aqueous solutions to give the corresponding NPs. Different cyanoacetates were used: (i) hexadecyl cy...

British Library Electronic Table of Contents (United Kingdom)

Using the peptide hormone glucagon and Ab(1-40) as model systems, we have sought to elucidate the mechanisms by which fibrils grow and multiply. We here present real-time observations of growing fibrils at a single-fibril level. Growing from preformed seeds, glucagon fibrils were able to generate new fibril ends by continuously branching into new fibrils. To our knowledge, this is the first time amyloid fibril branching has been observed in real-time. Glucagon fibrils formed by branching always grew in the forward direction of the parent fibril with a preferred angle of 35-40degree. Furthermore, branching never occurred at the tip of the parent fibril. In contrast, in a previous study by some of us, Ab(1-40) fibrils grew exclusively by elongation of preformed seeds. Fibrillation kinetics i...

UK PubMed Central (United Kingdom)

For terrestrial animals and plants, a fundamental cost of living is water vapor lost to the atmosphere during exchange of metabolic gases. Here, by bringing together previously developed models for...Full Text Available

UK PubMed Central (United Kingdom)

Plasma exchange (PE) is currently being used to treat a variety of disorders involving immune complexes, such as polyarteritis nodosa. This procedure removes endogenous toxic components that accumulate...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Experience has shown that a list of tips provides designers and engineers with an effective guide in their areas of duties and concern. This list contains new and rare information on heat exchangers and heat recovery systems. The information presented can be used effectively with personal computers and pocket calculators and also conveniently translated into computer programs and nomographs.

International Nuclear Information System (INIS)

We analyse the relation between the exchange algebra and the separation of the chiralities in classical Toda field theory. We show that there exists a conformally covariant Bloch wave basis such that the two chiralities commute. In terms of this basis we then reconstruct the periodic and local solution of Toda field theory. (orig.).

UK PubMed Central (United Kingdom)

The effects of Escherichia coli endotoxin on lung mechanics, hemodynamics, gas exchange, and lung fluid and solute exchange were studied in 12 chronically instrumented unanesthetized sheep. A possible...Full Text Available

UK PubMed Central (United Kingdom)

An anion-exchange column technique for extraction of antibiotics from serum proteins has been developed for use in the assay of cephapirin, cefotaxime, and cefoxitin by high-pressure liquid chromatography....Full Text Available

International Nuclear Information System (INIS)

In this work, the principal continuum radiative emission processes, which occur during the penetration of ions in solids or gases, are resumed. The characteristics of the following processes are discussed: secondary electron bremsstrahlung (SEB), atomic bremsstrahlung (AB), and internuclear bremsstrahlung (INB). Recent advances of the ion channeling effects in crystal solids on the spontaneous radiative spectra are exposed. (A.C.A.S.).

British Library Electronic Table of Contents (United Kingdom)

With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2prime sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Ab40 in transgenic mice with a single subcutaneous dose.

UK PubMed Central (United Kingdom)

Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available

UK PubMed Central (United Kingdom)

Using an anti-receptor mAb that blocks the attachment of echovirus 7 and related viruses (echoviruses 13, 21, 29 and 33), we have isolated a complementary DNA clone that encodes the human decay-accelerating...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The effect of heat transfer is described from heat exchange tubes of a horizontal steam generator on the distribution of primary water to the individual tubes of the tube bundle. It is shown that in a broad interval of mass flow rates and lengths of heat exchange tubes, the simplified method of calcualtion, i.e., calculation of the distribution of primary water into heat exchange tubes neqlecting the changes of physical properties of water along the heat exchange tubes, will yield sufficiently accurate results.

Science.gov (United States)

... Accession Number : ADD326926. Title : SPECIAL EDDY CURRENT PROBES FOR HEAT EXCHANGER INSPECTION. Corporate Author : ...

Energy Technology Data Exchange (ETDEWEB)

Compact heat exchangers are being increasingly considered for condensation applications in the process, cryogenic, aerospace, power and refrigeration industries. In this paper, different configurations available for condensation applications are analyzed and the current state-of-the-knowledge for the design of compact condensers is evaluated. The key technical issues for the design and development of compact heat exchangers for condensation applications are analyzed and major advantages are identified. The experimental data and performance prediction methods reported in the literature are analyzed to evaluate the present design capabilities for different compact heat-exchanger configurations. The design flexibility is evaluated for the development of new condensation applications, including integration with other process equipment.

International Nuclear Information System (INIS)

(15 Dec 1974). United States Harmon, BN Freeman, AJ Ames

Energy Technology Data Exchange (ETDEWEB)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl/sub 4/xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

Energy Technology Data Exchange (ETDEWEB)

Classical molecular dynamics simulations are carried out to investigate the salvation shell exchange kinetics of potassium ion in bulk water, chloroform, and carbon tetrachloride. The reactive flux method is used to compute the dissociation rates. The influence of the solvent on the reaction rates and kinetic properties of this exchange process will be discussed. Comparison will be also be made to the prediction of the Grote-Hynes theory.

Energy Technology Data Exchange (ETDEWEB)

The behavior of air flows in complex heat exchanger passages is reviewed with a focus on the heat transfer effects of boundary-layer development, turbulence, spanwise and streamwise vortices, and wake management. Each of these flow features is discussed for the plain, wavy, and interrupted passages found in contemporary compact heat exchanger designs. Results from the literature are used to help explain the role of these mechanisms in heat transfer enhancement strategies.

Energy Technology Data Exchange (ETDEWEB)

A simple method is presented for the separation of lead-203 from copper-backed thallium cyclotron targets. The procedure involves cation-exchange chromatography in hydrochloric acid and hydrochloric acid-acetone mixtures. Further purification involves anion-exchange chromatography in nitric acid-hydrobromic acid mixtures. A cation-exchange column containing 3.0 g of resin can handle as much as 15 g of thallium and 160 mg of copper. An anion-exchange column containing 3.0 g of resin can separate lead from up to 200 mg of thallium and 10 mg of copper. Separations are extremely sharp and less than 0.1 ..mu..g of thallium and less than 0.1 ..mu..g of copper remain in the lead-203 fraction.

British Library Electronic Table of Contents (United Kingdom)

In this study, the use of the weakly basic anion exchange resins of phenol-formaldehyde (Amberlyst A 23), polyacrylate (Amberlite IRA 67) and polystyrene (Lewatit MonoPlus MP 62) matrices for removal of the reactive dye Remazol Black B (RBB) from aqueous solution and wastewater were investigated. RBB sorption on the anion exchangers was a time dependent process. Color reduction percentiles of 75.2, 33.9 and 25.1% in wastewater treatment were found after 216 h of phase contact time with Lewatit MonoPlus MP 62, Amberlyst A 23 and Amberlite IRA 67, respectively. Inorganic salts and anionic surfactant action influenced RBB uptake by the anion exchangers. The amounts of dye retained by the anion exchangers increased with a rise in temperature. The maximum sorption capacities calculated from the...

International Nuclear Information System (INIS)

In this paper, numerical simulation of a concentric tube heat exchanger is presented to determine the convective heat transfer coefficient and friction factor in a smooth tube. Increasing the convective heat transfer coefficient can increase heat transfer rate in a concentric tube heat exchanger from a given tubular surface area. This can be achieved by using heat transfer augmentation devices. This work constitutes the initial phase of the numerical simulation of heat transfer from tubes employing augmentation devices, such as twisted tapes, wire-coil inserts, for heat transfer enhancement. A computational fluid dynamics (CFD) simulation tool was developed with CFX software and the results obtained from the simulations are validated with the empirical correlations for a smooth tube heat exchanger. The difficulties associated with the simulation of a heat exchanger augmented with wire-coil inserts are ...

International Nuclear Information System (INIS)

The contribution of exchange processes (heavy stripping and substitution) into the amplitude of the 25-30 MeV #alpha#-particle elastic scattering by "1"2C and "4"0Ca nuclei is examined taking into account the distortion of plane waves of initial and finite particles. The eikonal approximation is used for accounting for distortions. The matrix elements of exchange processes are calculated. The results of calculations show that the Wronskian cutoff radii are close to those which have been obtained for calculation of exchange processes in the plane-wave approximation. The moduli of the values defining the contribution of exchange processes to the total S matrix are plotted. Also presented are Argand diagrams and angular distributions for both reactions. It has been established that the account for exchange processes improves the agreement of theoretical curves with the experiment in ...

Energy Technology Data Exchange (ETDEWEB)

Three subbituminous coals of different rank demineralized in HCl and HF aqueous solutions were treated with several metal salt aqueous solutions to produce corresponding cation exchanged coals. In this treatment, the demineralized coals were exchanged by cations (K{sup +}, Na{sup +}, Mg{sup 2+}, Ca{sup 2+}, Fe{sup 3+} and Al{sup 3+}), which are known to be the major elements in coal minerals. The relations between the content and the kind of exchanged cations were investigated. For lower rank coals, such as Adaro and Black Thunder coals, almost linear relations between the content of exchanged cations and the decreasing amounts of pyridine soluble yields of the cation exchanged coals based on the values in the respective demineralized coals were found. From the differences of the gradients, it was confirmed that the noncovalent associations such as hydrogen bonds between pyridine ...

Science.gov (United States)

There is an increased emphasis on hyphenated techniques such as immunoaffinity LC/MS/MS (IA-LC/MS/MS) or IA-LC/MRM. These techniques offer competitive advantages with respect to sensitivity and selectivity over traditional LC/MS and are complementary to ligand binding assays (LBA) or ELISA's. However, these techniques are not entirely straightforward and there are several tips and tricks to routine sample analysis. We describe here our methods and procedures for how to perform online IA-LC/MS/MS including a detailed protocol for the preparation of antibody (Ab) enrichment columns. We have included sample trapping and Ab methods. Furthermore, we highlight tips, tricks, minimal and optimal approaches. This technology has been shown to be viable for several applications, species and fluids from small molecules to proteins and biomarkers to PK assays. PMID:21872661

CERN Document Server

Aims. We attempt to detect starlight reflected from a hot Jupiter, orbiting the main-sequence star HD 75289Ab. We report a revised analysis of observations of this planetary system presented previously by another research group. Methods. We analyse high-precision, high-resolution spectra, collected over four nights using UVES at the VLT/UT2, by way of data synthesis. We try to interpret our data using different atmospheric models for hot Jupiters. Results. We do not find any evidence for reflected light, and, therefore, establish revised upper limits to the planet-to-star flux ratio at the 99.9% significance level. At high orbital inclinations, where the best sensitivity is attained, we can limit the relative reflected radiation to be less than e = 6.7 x 10-5 assuming a grey albedo, and e = 8.3 x 10-5 assuming an Class IV function, respectively. This implies a geometric albedo smaller than p = 0.46 and p = 0.57, for the grey albedo and the Class IV albedo shape, ...

Science.gov (United States)

t5I gU9S y`xmRv A'b9 (RW$ F]>H ?ts6@ Snnl yHl$- #|t_C 6G8@ u,H8 3($ds #~^iy { aN2s VFR@1 zs|9n] %pyNv Z{+; !C 1cs= ||8_ 6r$0j n9X 8n`@ ,FH8S hg3` TBq*p UP09 ...

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

Energy Technology Data Exchange (ETDEWEB)

Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

Energy Technology Data Exchange (ETDEWEB)

In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain ...

International Nuclear Information System (INIS)

Tumor-targeted monoclonal antibodies (mAb) might be useful as diagnostic or therapeutic agents when linked to cytotoxic or imaging reagents. Our group is working to test this hypothesis by linking cytocidal and image-producing isotopes to mAb and testing the utility of the radioimmunoconjugates formed in animal model systems. Radioiodines were first employed for these purposes,but unfavorable nuclear properties (half-lives, #gamma#-ray and #beta#-particle energies) and chemical reactivity (deiodination in vivo) limit their utility. Labeling immunoproteins with metallic radionuclides offers more versatility in that the selection of potentially useful radiometals spans the periodic table.Of the metallic radionuclides with physical properties most suited for use with mAb in nuclear medicine, few are more available or desirable than those of bismuth ("2"1"2Bi) and lead ("2"0"3Pb, "2"1"2Pb), as listed in Table 1. "2"1"2Bi or ...

Science.gov (United States)

We studied two-photon exchange for elastic electron-proton scattering at low Q{sup 2}. Compact approximate formulas for the amplitudes were obtained. Numerical calculations were done for Q{sup 2}{<=}0.1 GeV{sup 2} with several realistic form factor parametrizations, yielding similar results. They indicate that the corrections to the magnetic form factor can visibly affect the cross-section and proton radii. For low-Q{sup 2} electron-neutron scattering two-photon exchange corrections were shown to be negligibly small00.

Energy Technology Data Exchange (ETDEWEB)

Vibrational dephasing in condensed phases is studied from both a theoretical and experimental standpoint. A theory is presented which describes the dynamics of motional or exchange processes in weakly perturbed systems. This general formalism, which has been previously used to describe motional narrowing in magnetic resonance, is applied to vibrational spectroscopy. The model treats the case of a high frequency vibration anharmonically coupled to a low-frequency vibration. Intermolecular exchange of low frequency vibrational quanta results in a temperature dependent broadening and frequency shift of the high frequency vibration. Analysis of experimental data by this model yields both the exchange rates and the anharmonic couplings.

Energy Technology Data Exchange (ETDEWEB)

An improved hybrid solar/combustion powered receiver of the type having an insulated housing with a front end and a rear end, a heat exchanger positioned adjacent the rear housing end for extracting heat energy out of the receiver, the insulated housing surrounding the heat exchanger and forming a receiver cavity, the housing also including an aperature having an aperture axis, the aperture located in the front housing end for admitting solar radiation to the cavity to impinge upon the heat exchanger, and a plurality of gas burners to provide combustion gases within the receiver.

International Nuclear Information System (INIS)

Tube failures due to excessive flow-induced vibration must be avoided to assure the reliable performance of heat exchangers. Such components must be thoroughly analysed for vibration at the design stage. Several flow-induced vibration mechanisms are possible. In this paper, particular attention is given to fluidelastic instability of tube bundles subjected to liquid and two-phase cross-flow. The performance of ten operating heat exchanger components is reviewed to validate our recommended vibration analysis guidelines. Both tube failure histories and satisfactory performances are considered. The results show that a fluidelastic instability constant K=3.3 is a reasonable design criterion. (auth).

Energy Technology Data Exchange (ETDEWEB)

This paper details the design, construction and testing of a bayonet tube heat exchanger for use in the process industry and potentially as part of an externally fired combined cycle. Detailed analysis of the system has been undertaken, in particular on the tube side. The data is reported in terms of temperature, pressure, heat gain and heat exchanger effectiveness, over a range of Reynolds numbers and shell side mixture ratios. Much of the heat gained by the tubes is in the annular flow of the bayonet tube. Overall the effectiveness of this system could exceed 70%. (Author)

International Nuclear Information System (INIS)

... um. Water retention capacity is in the range from 40 to 46 %. Dowex

Science.gov (United States)

Reciprocity is one of the defining features of social exchange and social life, yet exchange theorists have tended to take it for granted. Drawing on work from a decade-long theoretical research program, I argue that reciprocity is structured and variable across different forms of exchange, that these variations in the structure of reciprocity have profound effects on the emergence of integrative bonds of trust and solidarity, and that these effects are explained and mediated by a set of risk- and conflict-based processes. I discuss the consequences of this work for organizational theories of embeddedness and the production of social capital through network ties. Finally, I ask how the structure of networks and the structure of reciprocity are related to one another, and explore possible implications of the structure of reciprocity for exchange theorists' assumptions about actor motivations. (Contains 3 ...

International Nuclear Information System (INIS)

1973. 49 p. United States Belanger, BC USAEC Division of Applied

Energy Technology Data Exchange (ETDEWEB)

A specific radiochemical procedure for indium determination in semiconductor-grade silicon, using an inorganic ion exchanger (cerium oxalate) is proposed.

Energy Technology Data Exchange (ETDEWEB)

The behavior of Am, Cm, Bk, Cf, Es, and other actinides, as well as Zr, on anion and cation exchangers in aqueous and water-ethanol solutions of sulfuric acid as a function of the various components of the solution has been investigated. It has been discovered that the presence of ethanol in sulfuric acid solutions causes an increase in the distribution coefficients both on cation exchangers and on anion exchangers. The possibility of the use of ion exchangers for the preconcentration and separation of transplutonium elements from U, Np, Pu, Zr, and other elements which form strong complexes with sulfate ions over a broad range of concentrations of sulfuric acid has been demonstrated.

Energy Technology Data Exchange (ETDEWEB)

We have investigated via SQUID magnetometry and polarised neutron reflectivity the exchange-bias effect in CoO/Co sputtered multilayers. In particular, we studied the magnetisation reversal and the time relaxation of the exchange-bias field close to the coercive field H{sub c1}. Neutron intensities of all four cross sections (I++, I+-, I-+, I-) were recorded at the position of the first multilayer Bragg peak while scanning the magnetic field. From such scans we infer that the magnetisation reversal for the ascending as well as for the descending branch of the magnetic hysteresis occurs not by in-plane rotation but through domain-wall movements. The exchange-bias field, H{sub EB}, is strongly affected by thermal fluctuations. H{sub EB} decreases, following an exponential decay function with a half-life time of about 580 s at T=240 K. (orig.)

Energy Technology Data Exchange (ETDEWEB)

This paper presents a set of heuristics useful for optimal design of heat-exchange networks and integrated heat and power systems. These heuristics consolidate other approaches reported in the literature in a formalism useful for design purposes.

International Nuclear Information System (INIS)

Multiple Reggeon exchange supplies subleading logarithms that may be used to restore unitarity to the Low-Nussinov Pomeron, provided it can be proven that the sum of Feynman diagrams to all orders gives rise to such multiple Regge exchanges. This question cannot be easily tackled in the usual way except for very low-order diagrams, on account of delicate cancellations present in the sum which necessitate individual Feynman diagrams to be computed to subleading orders. Moreover, it is not clear that sums of high-order Feynman diagrams with complicated crisscrossing of lines can lead to factorization implied by the multi-Regge scenario. Both of these difficulties can be overcome by using the recently developed non-Abelian cut diagrams. We are then able to show that the sum of s-channel-ladder diagrams to all orders does lead to such multiple Reggeon exchanges. copyright 1997 The American Physical Society.

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

Fractionation of isotopes of the alkali metals and the alkaline earth metals in ion exchange chromatography of their chlorides was studied. The heavier isotopes of potassium and rubidium were found to be preferentially fractionated into the ion exchanger phase while the lighter isotopes of lithium, magnesium, calcium and strontium were enriched in the exchanger phase. This can be interpreted as a resultant of the relative significance of isotope effect upon dehydration and isotope effect accompanying the phase change of the hydrated metal ion. Found was no evidence of anomalous isotope effect attributable to the odd-even difference in mass number of isotopes. Based on the spectroscopic and solution chemical data (experimental and theoretical), the isotopic reduced partition function ratios of the hydrated alkaline metal ions and stretching force constants of metal ion-hydrating water bonds were estimated. (author).

Energy Technology Data Exchange (ETDEWEB)

The invention concerns a device for the energy-saving heating of fuel in the supply pipe to an internal combustion engine to regain energy from the fuel itself, particularly but not exclusively for a Diesel engine. A part of the quantity of heat added to the fuel between the tank and the injection nozzles is given up by excess fuel not to the tank, but to the fuel lifted upstream of the injection pump. The device is characterised by the fact that it has a heat exchanger, which absorbs heat from the fuel at the level of the injection pump or upstream of it, and takes this to the fuel above the injection pump. The heat exchanger is preferably mounted upstream of a filter and close to it. A bridging pipe, which may be integrated in the heat exchanger, permits the heat exchanger to be short-circuited depending on the fuel temperature.

UK PubMed Central (United Kingdom)

The mutualistic interaction of plants with arbuscular mycorrhizal (AM) fungi is characterized by an exchange of nutrients. The plant provides sugars in the form of hexoses to the heterotrophic fungus...Full Text Available

International Nuclear Information System (INIS)

Russian (Jan 1978). USSR Chorna, IM Beshta, EI Kvitkovskij, LN L'vovskij

Energy Technology Data Exchange (ETDEWEB)

Thermogalvanic corrosion of St3 steel in a temperature range from 25 to 50{degrees}C with a 3.84{degrees}C/cm gradient was studied in a neutral media flow. It is shown that the thermogalvanic effect on the pitting corrosion of water-cooled heat exchangers is decisive but dual. Depending on the composition of the cooling medium, thermogalvanic corrosion may either enhance (0.5 M NaCl) or inhibit (tap water) pitting corrosion.

International Nuclear Information System (INIS)

The heavy water reactor such as Wolsung No.1 and No.2 has a purification system to purify the reactor coolant. The control system regulates the coolant temperature to protect the ion exchanger. After the fuel exchanges of operating plant, the increase of the coolant pressure makes the purification temperature control difficult. In this paper, the controllability of the control dynamics of the purification system was analysed and the optimal parameters were proposed. To reduce the effects of the flow disturbance, the feedforward control structure was proposed and analysed.

Energy Technology Data Exchange (ETDEWEB)

The electrochromatographic behavior of 25 metal ions on zirconium tungstate-impregnated papers is described. Six background electrolytes were used. On the basis of the differential mobilities of metal ions which depend on the ion-exchange properties of zirconium tungstate and the nature of complex formation with the electrolytes, some important binary and ternary separations have been achieved.

UK PubMed Central (United Kingdom)

RIN proteins serve as guanine nucleotide exchange factors for Rab5a. They are characterized by the presence of a RIN homology domain and a C-terminal Vps9 domain. Currently three family members have...Full Text Available

International Nuclear Information System (INIS)

A method has been developed for the adsorption of Sc"I"I"I employing inorganic ion exchanger zirconium phosphosilicate by batch method. Effects of various parameters have been evaluated on the percentage adsorption of Sc"I"I"I. Separation of Sc"I"I"I from various other elements is standardized. (author)

International Nuclear Information System (INIS)

The first successful observation of double analog states in "8"8Zr and "9"0Mo has been made by means of the (#pi#"+,#pi#"-) pion double charge exchange (DCX) reaction. The systematics of the (N - Z) and the A dependence of analog DCX, made possible by these observations, is discussed. (orig.).

UK PubMed Central (United Kingdom)

The goal of this study was to identify and characterize the hypothesized apical cation/H⁺ exchanger responsible for K⁺ and/or Na⁺ secretion in...Full Text Available

International Nuclear Information System (INIS)

Calculating the local spectral densities at magnetic adatoms, we estimate the variation in the Yosida-Kondo resonance due to the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction and the direct exchange between adatoms in systems of magnetic trimers on metal surfaces. The results show that the RKKY interaction leads to the gradual variation in Kondo temperature, and the direct exchange can be the origin of the drastic variation. (author)

Wastenet

...] gueconwpa~05-05-05 How is Macro News Transmitted to Exchange Rates? (December 2003) by Martin D. D. Evans(Georgetown University and NBER) and Richard K. Lyons(U.C. Berkeley and NBER, Haas School of Business) [Downloadable!] gueconwpa~05-05-04 A New Micro Model of Exchange Rate Dynamics (March 2004) by Martin D. D. Evans(Georgetown University and ...

Energy Technology Data Exchange (ETDEWEB)

A passive heat exchange enhancement structure which operates by free convection includes a flat mounting portion having a plurality of integral fins bent outwardly from one side edge thereof. The mounting portion is securable around a stovepipe, to a flat surface or the like for transferring heat from the pipe through the fins to the surrounding air by rotation-enhanced free convection.

Energy Technology Data Exchange (ETDEWEB)

In this report, the quantitative relation between the height equivalent to a theoretical plate (HETP) and the size of ion exchange resin is studied by enriching lithium isotopes with high pressure ion exchange displacement chromatography. The dependence of HETP on the size of the resin can be expressed as H = C x (anti r)sup( ) in which = 2.4 and it is found that Snyder's equation is suitable for such a system of isotope separation as may be explained by the simple displacement mechanism.

Energy Technology Data Exchange (ETDEWEB)

This heat exchanger is a critical step in the development of the Externally Fired Combined Cycle power system, a direct-coal combustion power plant (gas turbine). SiC is the only material with the needed resistance to creep, thermal shock, and oxidation; however a protective coating is needed. Ten candidate materials were identified: alumina-based materials, materials stable with SiO, and low expansion materials. An initial screening study should be performed.

UK PubMed Central (United Kingdom)

Arf GTPases control vesicle formation from different intracellular membranes and are regulated by Arf guanine nucleotide exchange factors (GEFs). Outside of their conserved catalytic domains, known...Full Text Available

Science.gov (United States)

Hybrid density functionals, which replaces a fraction of a density functional theory 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 hybrids functionals with HF exchange 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, ...

Energy Technology Data Exchange (ETDEWEB)

It was previously reported that the tritium tracer method is useful for the quantitative consideration of hydrogen behavior in coal during coal liquefaction reaction. Tetralin is excellent hydrogen donating solvent, and is considered as one of the model compounds of coal. In this study, effects of H2S and H2O on the hydrogen exchange reaction between tetralin and gaseous hydrogen labeled by tritium were investigated. It was suggested that the conversion of tetralin and the hydrogen exchange reaction between gaseous hydrogen and tetralin proceed through the radical reaction mechanism with a tetralyl radical as an intermediate product. When H2S existed in this reaction, the hydrogen exchange yield increased drastically without changing the conversion yield. This suggested that the hydrogen exchange reaction proceeds even in the reaction where radical does not give any effect. In the case of H2O addition, ...

International Nuclear Information System (INIS)

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. ...

Energy Technology Data Exchange (ETDEWEB)

A heat transfer (condenser) of a domestic freezer was tested in a vertical channel in order to study the influence of the chimney effect in the optimization of the heat transfer coefficient. The variation of the opening of the channel, position and the heating power of the heat exchanger in the heat transfer coefficient was considered. The influence of the surface emissivity on the heat transfer by thermal radiation was studied with the heat exchanger testes without paint and with black paint. The air velocity entering the channel was measured with a hot wire anemometer. In order to evaluate the chimney effect, the heat exchanger was testes in a open ambient. This situation simulates its operational conditions when installed on the freezer system. The variables collected in the experimental procedures was gathered in the form of dimensionless parameters as Nusselt, Rayleigh, Grashof and Prandtl numbers, and dimensional ...

Energy Technology Data Exchange (ETDEWEB)

The Kadomtsev-Petviashvili equation describes nonlinear dispersive waves which travel mainly in one direction, generalizing the Korteweg-de Vries equation for purely uni-directional waves. In this Letter we derive an improved KP-equation that has exact dispersion in the main propagation direction and that is accurate in second order of the wave height. Moreover, different from the KP-equation, this new equation is also valid for waves on deep water. These properties are inherited from the AB-equation (E. van Groesen, Andonowati, 2007 ) which is the unidirectional improvement of the KdV equation. The derivation of the equation uses the variational formulation of surface water waves, and inherits the basic Hamiltonian structure.

British Library Electronic Table of Contents (United Kingdom)

The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...

Energy Technology Data Exchange (ETDEWEB)

Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

British Library Electronic Table of Contents (United Kingdom)

Olfactory memory dysfunctions were investigated in the triple-transgenic murine model of Alzheimer's disease (3x Tg-AD). In the social transmission of food preference test, 3x Tg-AD mice presented severe deficits in odor-based memory, without gross changes in general odor-ability. Ab and tau immunoreactivity was not observed in the primary processing regions for odor, the olfactory bulbs (OBs), whereas marked immunostaining was present in the piriform, entorhinal, and orbitofrontal cortex, as well as in the hippocampus. Our results suggest that the impairment in olfactory-based information processing might arise from degenerative mechanisms mostly affecting higher cortical regions and limbic areas, such as the hippocampus.

British Library Electronic Table of Contents (United Kingdom)

Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...

Energy Technology Data Exchange (ETDEWEB)

The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.

Energy Technology Data Exchange (ETDEWEB)

The thermal performance of an automotive radiator plays an important role in the performance of an automobile's cooling system and all other associated systems. For a number of years, this component has been given little attention with very little changing in its manufacturing cost, operation and geometry. As opposed to the old tubular heat exchanger configurations used in automotive radiators, plate heat exchangers currently form the backbone of today's process industry with their advanced performance reaching levels the designers of tubular heat exchangers can only dream of. The aluminium roll-bonding technique widely used in manufacturing the cooling compartments for domestic refrigeration units is one of the cheapest methods for heat exchanger manufacturing. Using this technique, it is possible to manufacture a wide range of heat exchanger configurations that ...

Energy Technology Data Exchange (ETDEWEB)

As the last step of urinary acidification, the inner medullary collecting duct (IMCD) is thought to secrete protons into the tubular lumens by means of a H(+)-translocating adenosinetriphosphatase (H(+)-ATPase). However, recent studies have also shown the existence of Na(+)-H+ exchange activity in IMCD cells. Although the physiological function of the antiporter in IMCD cells is unknown, activation of Na(+)-H+ exchange in other cell-culture systems has been suggested to be closely associated with the process of cell growth. Thus presence of Na(+)-H+ exchange may relate to the growth phase of these cells. To examine intracellular pH (pHi) regulation in growing IMCD cells, we studied proton transport by Na(+)-dependent and Na(+)-independent mechanisms by microfluorimetry using the pHi-sensitive dye 2',7'-bis(carboxyethyl)-5,6-carboxyfluorescein acetoxymethyl ester (BCECF/AM). Actively growing cells, defined ...

Energy Technology Data Exchange (ETDEWEB)

A solar energy desalination process utilizing solar radiation directly for the evaporation of salt water is described. Ambient air takes on water vapor as the air passes through an evaporative medium. It is then directed between a saline water-covered, solar absorbing surface and a solar collecting housing. The resulting heated and moisture-saturated air is cooled in a heat exchange means where condensation of fresh water occurs. Simultaneously, cool salt water is utilized as the cooling water in the heat exchange means, and takes on the heat of condensation given up by the condensing vapor. The heated salt water from the heat exchange means is partially directed over the solar absorbing surface, and at least a portion of it is also directed to wet the evaporative medium. Several optional sub-processes are described for operation of the system during periods of reduced insolation, and an alternative process is described for ...

British Library Electronic Table of Contents (United Kingdom)

In the field of international human resource management, studies have seldom examined organizational justice, social exchange, and psychological contract together as important factors in influencing the expatriate adjustment process. The purpose of this research is to fill the research gap by examining these factors and their relationships with expatriate adjustment. The researcher conducted a survey of Taiwanese business expatriates during the first quarter of 2007, collecting 219 valid samples for analysis. A hierarchical regression model was used to test the research framework hypotheses, which showed that expatriates' perception of organizational justice has a positive influence both on their perceptions of social exchange and on their psychological contract fulfillment. Expatriates' p...

International Nuclear Information System (INIS)

Active Process Water (APW) System, provided as unitized closed loop system in Tarapur Atomic Power Project Units-3 and 4, serves to remove heat from various heat exchangers. One of the important loads served by APW system is shutdown cooling heat exchangers and if APW shutdown is taken then reactor cannot be maintained in cold shutdown condition. It is estimated that after 7 days of reactor shutdown, if about 20% of the normal cooling flow to shutdown cooling heat exchangers is provided then along with keeping PHT in cold shutdown state, reactor components, moderator, end shield water, calandria vault water and calandria vault concrete temperature can be maintained within technical specification limits for extended duration. (author)

International Nuclear Information System (INIS)

We derive the exchange currents of pseudoscalar, vector, and scalar mesons from Feynman diagrams, and use them to calculate the magnetic form factors of nucleon and ?(1232). The magnetic moments and electromagnetic radii are obtained by using those form factors and the parameters determined from the masses of nucleon and ?(1232). We find the magnetic moments and electromagnetic radii of nucleon and ?(1232) can be produced very well in the extended Goldstone-Boson-exchange model in which all of pseudoscalar, vector, and scalar meson nonet are included. The magnetic moments of ?(1232) are closer to experiment values and results from lattice calculation than the results obtained by the model without other mesons except for pion and sigma.

Energy Technology Data Exchange (ETDEWEB)

A technique is proposed to generate electron beam with ultralow transverse emittance through laser assisted transverse-to-longitudinal emittance exchange. In the scheme a laser operating in the TEM10 mode is used to interact with the electron beam in a dispersive region and to initiate the emittance exchange. It is shown that with the proposed technique one can significantly downsize an x-ray free electron laser (FEL), which may greatly extend the availability of these light sources. A hard x-ray FEL operating at 1.5 {angstrom} with a saturation length within 30 meters using a 3.8 GeV electron beam is shown to be practically feasible.

International Nuclear Information System (INIS)

Liquid radioactive waste treatment method of using evaporator was widely used from Kori 1 to Uljin 3 and 4, but a liquid radioactive waste treatment equipment that uses an ion exchange method instead of an evaporator was adopted aiming to minimize amount of radioactive waste and radiation exposure. However, the same equipment was introduced and applied for the first time in Korea and had experienced difficulties in securing credibility for the equipment and handling of liquid radioactive waste with inadequate data about performance and experience in operation and maintenance. In this study, examination, application and effect analysis was performed on the optimization measure for handling liquid radioactive waste of Yonggwang Nuclear Power Unit 5 and 6(YGN 5 and 6) that applies an ion exchange method

British Library Electronic Table of Contents (United Kingdom)

As the main forestry species in the Canary Islands (Spain), Pinus canariensis is frequently used in afforestation programs. Several nursery techniques are commonly employed to modify its morphology and physiology with the aim of improving post-planting survival and growth. In this work, we studied how fertilization and light regime treatments applied during the nursery period modify biomass allocation patterns and produce effects in gas exchange and root hydraulic conductance. Seedlings were grown for a 6-month period in the nursery under two light regimes (full sunlight and 40% PAR reduction), and three fertilization levels were applied in each light regime. Morphology, biomass allocation patterns, leaf gas exchange and hydraulic conductance of the whole root system were evaluated. Fertil...

International Nuclear Information System (INIS)

A Process for yellow cake production from local Euxenite was developed in Bench Scale by using sulphuric acid digestion with simultaneously ion-exchange and solvent extraction purification steps. Uranium was then precipitated as uranium diuranate by ammonia solution. Equipment used in this process includes : digestion vessels, columnar ion-exchange, solvent extraction and precipitation units Ore feed to the process could be adjusted up to 2 kilogram per day (8 hours operation) with yellow cake product purity meet the requirement of Usaec standard of about 10-50 gram per day. Included in this experiment are the leaching characteristics of the ore, the design and construction of continuous columnar 4-cycle ion exchange unit, determination of the extraction and stripping stages of a gravity flow mixer-settler and the design and construction of continuous yellow cake precipitation unit with large grain size and high density ...

British Library Electronic Table of Contents (United Kingdom)

The magnetic three spin-1/2 model for nanometer-scale molecular cluster V15 is analyzed with the emphasis on the origin of the mixing of different spin levels in the resonance fields that is generally important for the problem of single molecular magnets. The zero-field splitting in the ground quadruplet (two Formula Not Shown levels) is shown to depend mainly on the normal component of AS exchange meanwhile the zero-field splitting in the excited Formula Not Shown multiplet is a second order effect with respect to in-plane components of AS exchange. The normal component of the AS exchange is shown to lead to the exact crossing of the magnetic sublevels at the arbitrary direction of the field. The positions of two crossing/anticrossing points in the ground manifold depend mainly on the iso...

British Library Electronic Table of Contents (United Kingdom)

The evaluation of the bactericidal effect of different silver-containing materials where silver is available as Ag^+ (silver nitrate and different silver-exchanged zeolites), as metallic Ag^0 (commercial silver nanoparticles) or as oxide (silver (I) oxide) was carried out in order to elucidate the importance of the bioavailability of silver (i.e., as free ions, metallic particles, combination of them, clusters, complexes, partially soluble or insoluble salts, etc.) on its bactericidal action. For the different materials tested, their bactericidal effect is ordered in the following sequence: AgNO"3>Ag-ZSM-5>Ag"2O>commercial silver-exchanged zeolite (granular)>commercial silver-exchanged zeolite (pellets)>Ag nanoparticles. In general, as the content of bioavailable ionic silver increases, th...

Energy Technology Data Exchange (ETDEWEB)

Formulae are obtained for the angular correlation function of inelastically scattered ..cap alpha.. particles and ..gamma.. quanta of a pure EL multipolarity, which are emitted by an excited nucleus, in the case of exchange processes, if distortions are introduced into the eikonal approximation. The matrix element of the exchange processes is considered as a coherent sum of contributions from two mechanisms: replacement and stripping of a heavy particle. Concrete calculations are performed for the reaction /sup 12/C(..cap alpha.., ..cap alpha..'..gamma..)/sup 12/C. The obtained results show that the developed formalism enables one to get an agreement between the theoretical angular correlation functions with the experimental data at reasonable values of the calculation parameters.

International Nuclear Information System (INIS)

Anion-exchange chromatography of element 105, dubnium (Db), produced in the "2"4"8Cm("1"9F, 5n)"2"6"2Db reaction is investigated together with the homologues Nb and Ta, and the pseudo-homologue Pa in 13.9 M hydrofluoric acid (HF) solution. The distribution coefficient (K_d) of Db on an anion-exchange resin is successfully determined by running cycles of 1702 chromatographic column separations. The result clearly indicates that the adsorption of Db on the resin is significantly different from that of the homologues and that the adsorption of anionic fluoro complexes of these elements decreases in the sequence of Ta#approx#Nb>Db#>=#Pa. (orig.)

Wastenet

the exchange of experience and ideas in the social, political and economic areas. ...the fast-changing, high-risk and short-term nature of these network relationships is seen to conflict with the slow ...incremental process of change characteristic of the German social-market model.

UK PubMed Central (United Kingdom)

The structure of the skin in the epauletted fruit bat (Epomophorus wahlbergi) wing and body trunk was studied with a view to understanding possible adaptations for gas metabolism and...Full Text Available

International Nuclear Information System (INIS)

Superconductivity in A-15 compounds is examined in terms of electron pairing induced by exchange of acoustic plasmons. The electronic band structure of Nb_3Sn, V_3Si, and similar materials favor transition temperatures of Tsub(c)approximately20 K. (Auth.).

Science.gov (United States)

The melting unit, consisting of a water-cooled cupola furnace, afterburner, heat exchanger, air preheater, consumes most of the supplied energy in the rockwool process. The report maps the energy flows and defines factors of merit according to thermodynam...

UK PubMed Central (United Kingdom)

Taste cells use multiple signaling mechanisms to generate appropriate cellular responses to discrete taste stimuli. Some taste stimuli activate G protein coupled receptors (GPCRs) that cause calcium...Full Text Available

DEFF Research Database (Denmark)

Using a unique high-frequency futures dataset, we characterize the response of U.S., German and British stock, bond and foreign exchange markets to real-time U.S. macroeconomic news. We find that news produces conditional mean jumps; hence high-frequency stock, bond and exchange rate dynamics are linked to fundamentals. Equity markets, moreover, react differently to news depending on the stage of the business cycle, which explains the low correlation between stock and bond returns when averaged over the cycle. Hence our results qualify earlier work suggesting that bond markets react most strongly to macroeconomic news; in particular, when conditioning on the state of the economy, the equity and foreign exchange markets appear equally responsive. Finally, we also document important contemporaneous links across all markets and countries, even after controlling for the effects of macroeconomic news.

Energy Technology Data Exchange (ETDEWEB)

The following subjects are dealt with: physics of indoor air flow, flow in individual rooms, exchange of air and pollution between individual building zones and with the outside world, thermal coupling with the building shell, thermal comfort and air quality, evaluation of the ventilation. figs., tabs., refs.

Energy Technology Data Exchange (ETDEWEB)

The deposition of platinum on various carbon blacks was carried out by forming active functional groups on the surface of the carbon support, and exchanging these active groups with different platinum complexes. Using H{sub 2}PtCl{sub 6} solution, an impregnation rather than an exchange takes place. However, using divalent platinum complexes [Pt(NH{sub 3}){sub 4}]{sup 2+}, a fast exchange takes place which leads to extremely small platinum particles highly dispersed on the surface of carbon black. A comparison of the catalytic activities of platinum supported on various carbon blacks was also carried out. The performances of PEFC (Polymer Electrolyte Fuel Cell) based on the process of the ion exchange are reported. (authors) 3 refs.

Energy Technology Data Exchange (ETDEWEB)

Electric cars can be recharged via charging stations, battery exchange, or induction cable lanes in asphalted roads. The users' wishes remain unexplored, so a number of technologies are competing in this sector.

UK PubMed Central (United Kingdom)

In-vitro experiments using 203Pb were performed to identify lead-binding components in human haemoglobin. Sephadex A-50 ion-exchange chromatography of haemolysate showed that different types of haemoglobin...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Total thermal resistance of ground heat exchanger (GHE) is comprised of that of the soil and inside the borehole. The thermal resistance of soil can be calculated using the linear source theory and cylindrical source theory, while that inside the borehole is more complicated due to the integrated resistance of fluid convection, and the conduction through pipe and grout. Present study evaluates heat exchange rate per depth of GHE by calculating the total thermal resistance, and compares different methods to analyze their similarities and differences for engineering applications. The effects of seven separate factors, running time, shank spacing, depth of borehole, velocity in the pipe, thermal conductivity of grout, inlet temperature and soil type, on the thermal resistance and heat exchange rate are analyzed. Experimental data from several real geothermal heat pump (GHP) applications in Shanghai are used to validate the ...

UK PubMed Central (United Kingdom)

Ligand exchange of hydrated metal complexes is common in chemical and biological systems. Using the ultrafast T-jump, we examined this process, specifically the transformation of aqua cobalt (II) complexes...Full Text Available

UK PubMed Central (United Kingdom)

The dental pulp consists of loose connective tissue encased in rigid dentinal walls. Because of its topography the tissue has low interstitial compliance and limited capacity to expand during fluid...Full Text Available

UK PubMed Central (United Kingdom)

Carbohydrate/citrate cometabolism in Lactococcus lactis results in the formation of the flavor compound acetoin. Resting cells of strain IL1403(pFL3) rapidly consumed citrate while...Full Text Available

UK PubMed Central (United Kingdom)

The aim of the present study was to describe the physicochemical characteristics of streptococcal T antigen. T protein isolated from Streptococcus pyogenes type 12 (R53/1077, Colindale) and purified...Full Text Available

International Nuclear Information System (INIS)

A series of cation exchange membranes was produced by impregnating and coating both sides of a quartz web with a Nafion solution (1100 EW, 10%wt in water). Inert filler particles (SiO_2, ZrO_2 or TiO_2; 5-20%wt) were incorporated into the aqueous Nafion solution to produce robust, composite membranes. Ion-exchange capacity/equivalent weight, water take-up, thickness change on hydration and ionic and electrical conductivity were measured in 1 mol dm"-"3 sulfuric acid at 298 K. The TiO_2 filler significantly impacted on these properties, producing higher water take-up and increased conductivity. Such membranes may be beneficial for proton exchange membrane (PEM) fuel cell operation at low humidification. The PEM fuel cell performance of the composite membranes containing SiO_2 fillers was examined in a Ballard Mark 5E unit cell. While the use of composite membranes offers a cost reduction, the unit cell performance was ...

Energy Technology Data Exchange (ETDEWEB)

Simultaneously extracted metals (SEM) and acid volatile sulfide (AVS) show the potential for toxicity on the basis of their ratio. Accordingly, the authors spiked cadmium in a range for which Cd/AVS ratios were from 0.2 to 10 in the sediment with its weight about 8 kg in each batch. Dialysis samplers with a cation ion-exchange resin (Dowex 50W-X4) collection were used in a laboratory for the determination of free cadmium concentrations in pore water of the collected sediment. When equilibrium was reached among cadmium in pore water, sediment, and ion-exchange resin, cadmium exchanged onto resin phase was regenerated with 1 N hydrochloric acid (OPTIMA grade) and determined using an atomic absorption spectrophotometer (Zeeman 5000) with a graphite furnace accessory. Cadmium determined using the dialysis sampler is considered as free cadmium which is related to the metal bioavailability toward aquatic biota. The developed ...

International Nuclear Information System (INIS)

The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the trigonal system with space P31m (No. 157), a=b=8.7134(12) A, c=5.2807(11) A and ?=90o, ?=90o, ?=120o, Z=1, ?=3.516 g/cm3. It is a layered structure that is very flat and strongly parallel to c. The V5O14 layer structure consists of corner-linked square and triangular pyramids. The layers are separated by Rb+ ions, which fit equally well on the V5O14 layer. The Kurtz powder SHG measurement, using 1064 nm radiation, showed that the second-harmonic generation efficiency of Rb3V5O14 is about two times that of KDP. -- Graphical abstract: The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the ...

Science.gov (United States)

The complexity and diversity of the microbial communities in biogranules from an upflow anaerobic sludge blanket (UASB) bioreactor were determined in response to short-term changes in substrate feeds. The reactor was fed simulated brewery wastewater (SBWW) (70% ethanol, 15% acetate, 15% propionate) for 1.5 months (phase 1), acetate / sulfate for 2 months (phase 2), acetate-alone for 3 months (phase 3), and then a return to SBWW for 2 months (phase 4). Performance of the reactor remained relatively stable throughout the experiment as shown by COD removal and gas production. 16S rDNA, methanogen-associated mcrA and sulfate reducer-associated dsrAB genes were PCR amplified, then cloned and sequenced. Sequence analysis of 16S clone libraries showed a relatively simple community composed mainly of the methanogenic Archaea (Methanobacterium and Methanosaeta), members of the Green Non-Sulfur (Chloroflexi) group of Bacteria, followed by fewer numbers of Syntrophobacter, ...

Energy Technology Data Exchange (ETDEWEB)

Calls for containers to transport compressed natural gas, and a ship or barge to house some 200 employees in the Terra Nova offshore oilfield while the oil field's floating production, storage and offloading (FPSO) system is undergoing a major overhaul, are attracting attention on Canada's east coast offshore oilpatch. The FPSO is located offshore, 350 km east of St. John's, Newfoundland. Petro-Canada, operators of the FPSO anticipate that by having all required personnel nearby, the total shutdown time for the overhaul could be minimized. The CNG container was designed by Trans Ocean Gas Inc. in response to an invitation by Husky Oil and Petro-Canada, the White Rose field partners. Trans Ocean Gas strongly believes that CNG will become the technology of choice for getting natural gas ashore and to markets from stranded hydrocarbon pools in Atlantic Canada and the rest of the world where pipeline systems would be too expensive to build and maintain. Trans ...

International Nuclear Information System (INIS)

Six kinds of diamino-dithiol compounds are labelled with "9"9Tc"m by ligands exchange reaction. Their ligands exchange percentage is over 95%. The biodistribution of one of these compounds in mice shows 0.88% brain uptake after two minutes and 0.28% after 15 minutes respectively. Although the brain uptake is lower for this compound, it has longer retention in brain. So, the experiment results are valuable to the design of new brain imaging agent in the future.

Energy Technology Data Exchange (ETDEWEB)

Separations of metal ions on the basis of Donnan dialysis across anion-exchange membranes should be possible if the receiver electrolyte composition favors the formation of selected anionic complexes of the sample metal ions. Moreover, such a separation has the possibility of being better suited from some applications than batch or column experiments with anion-exchange resins. The above hypothesis are tested on the platinum-group metal ions, Pt(IV), Rh(III), Pd(II), Ir(III), and Ir(IV). 13 references, 4 tables.

Energy Technology Data Exchange (ETDEWEB)

Late 1994, the Geothermal Heat Pump Consortium (GHPC) was launched as a non-profit collaborative effort between the United States Department of Energy, US electric utilities and the GeoExchange (geothermal heat pump) industry to make ''geothermal heat pumps'' a significant component of the HVAC industry and avoid 1.5 million metric tons of carbon equivalent per year. The goal was to create a self-sustainable GeoExchange market. This report offers a summary of some of the lessons learned and an overview of some of the programs major accomplishments.

Energy Technology Data Exchange (ETDEWEB)

Staff exchanges, such as the one described in this report, are intended to facilitate communication and collaboration among scientists and engineers at DOE laboratories, in US industry, and academia. During the past 5 years, PNL has developed prototype instrumentation to automate the data collection required for electrochemical determination of corrosion rates and behavior of materials in various electrically conductive environments. The last version is labeled the Sentry 100 prototype corrosion data scanner. Applications include these in the pulp and paper industry and at hazardous waste sites.

Energy Technology Data Exchange (ETDEWEB)

A comprehensive presentation is made of state-of-the-art configurations and design methodologies for heat transfer devices applicable to industrial processes, automotive systems, air conditioning/refrigeration, cryogenics, and petrochemicals refining. Attention is given to topics in heat exchanger mechanical design, single-phase convection processes, thermal design, two-phase exchanger thermal design, heat-transfer augmentation, and rheological effects. Computerized analysis and design methodologies are presented for the range of heat transfer systems, as well as advanced methods for optimization and performance projection.

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the electricity exchanges between the US and Mexico and Canada during calendar year 1983. The construction, operation and maintenance of any electric transmission facility which crosses an international border of the United States requires a Presidential Permit. These permits have been granted by the Department of Energy (DOE) since its formation in 1977. Between 1953 and 1977, these permits were issued by the former Federal Power Commission. Prior to 1953, they were issued by the President of the United States. Presidential Permits require that an annual report be filed by the permit holder detailing all transactions with the foreign country.

British Library Electronic Table of Contents (United Kingdom)

I formulate a model in which money coexists with equity shares on a risky aggregate endowment. Agents can use equity as a means of payment, so shocks to equity prices translate into aggregate liquidity shocks that disrupt the mechanism of exchange. I characterize a family of optimal monetary policies and find that the resulting equity prices are independent of monetary considerations. I also study a perturbation of the family of optimal policies that targets a positive constant nominal interest rate and find that in this case the real equity return includes a liquidity return that depends on monetary considerations.