International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, ...

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, ...

UK PubMed Central (United Kingdom)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Our Andreev reflection measurements (Phys. Rev. Lett. 87 (2001) 137005) along with other experiments have led to a general consensus that MgB{sub 2} is a multiband superconductor with two main superconducting gaps closing at the same T{sub c}. Here we show the behavior of the small gap as a function of the temperature and magnetic field. This gap is isotropic with T{sub c} of the bulk material but with a specific small (crossover) critical magnetic field of about 1 T much lower than the real H{sub c2}. The latter field is anisotropic and is rather governed by the large gap and strongly anisotropic Fermi surface of the material.

Energy Technology Data Exchange (ETDEWEB)

Scheme of theoretical method of molecular configuration definition for small organic molecules in solution has been presented. The method bases on measurements of nuclear Overhauser effects for proton-proton interactions and molecular mechanics calculations. 3 refs, 1 fig.

Energy Technology Data Exchange (ETDEWEB)

This paper represents a parametric study of the amplification factor to account for rebound effects in the Energy Balance Method. Of the 66 distinct cases we chose for our parametric study, the amplification factor of 1.1 seems sufficient except in four borderline cases where the carbon steel pipes are small or have very small gaps between the pipes and the pipe whip restraints. We conclude that the amplification factor generally decreases as the parameters gap size, hinge-to-break distance and overhang increase.

UK PubMed Central (United Kingdom)

Phenazines are redox-active small molecules that play significant roles in the interactions between pseudomonads and diverse eukaryotes, including fungi. When Pseudomonas aeruginosa...Full Text Available

UK PubMed Central (United Kingdom)

The phenomenon of antibiotic resistance has created a need for the development of novel antibiotic classes with non-classical cellular targets. Unfortunately, target-based drug discovery against...Full Text Available

UK PubMed Central (United Kingdom)

The primary method for neuronal communication involves the extracellular release of small molecules that are packaged in secretory vesicles. We have developed a platform to separate, lyse, and...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

The design and operating principle of a small (50 mm in diameter and 100 mm in height) ???-73C vacuum spark gap are described. It is shown that it can be efficiently switched using a control circuit with a low (?900 V) supply voltage, which is based on an inductive energy storage and a diode opening switch that forms a high-voltage igniting pulse with a rise time of nanosecond duration. The ???-73C switching process is investigated at different rise times of igniting voltage pulses and different igniting current amplitudes. The results of tests of the spark gap operating in regimes of switching current pulses with an amplitude of 12 kA and a rise time of 800 ns are presented.

Science.gov (United States)

(TSM-TTP)(I3)5/3 is a 1/6 -filled one-dimensional system composed of an extended donor molecule which has two tetrathiafulvalene (TTF) units in a molecule, where TSM-TTP is 2,5-bis[4,5-bis(methylseleno)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalene. Nonlinear conductivity is observed in the insulating state below 20K , and the metallic state is restored above a very small threshold electric field of 0.3V/cm at 4.2K . The extremely sensitive nonlinearity is ascribed to the inhomogeneous insulating state generated by the weak and disordered anion potentials on the otherwise highly conducting intramolecular charge order state in the double-TTF molecule.

International Nuclear Information System (INIS)

The results of experimental measurements and theoretical simulations of circular dichroism in the angular distribution (CDAD) of photoemission from atomic core levels of each of the enantiomers of a chiral molecule, alanine, adsorbed on Cu(1 1 0) are presented. Measurements in, and out of, substrate mirror planes allow one to distinguish the CDAD due to the chirality of the sample from that due to a chiral experimental geometry. For these studies of oriented chiral molecules, the CDAD is seen not only in photoemission from the molecular chiral centre, but also from other atoms which have chiral geometries as a result of the adsorption. The magnitude of the CDAD due to the sample chirality differs for different adsorption phases of alanine, and for different emission angles and energies, but is generally small compared with CDAD out of the substrate mirror planes which is largely unrelated to the molecular chirality. While ...

Energy Technology Data Exchange (ETDEWEB)

We have studied freshly prepared lysozyme solutions in heavy water for two NaCl concentrations as a function of temperature. Lysozyme solubilities in this solvent are determined by static light scattering. By small angle neutron scattering, we evidence that interactions between lysozyme molecules are characterized by a second virial coefficient A{sub 2} whether the solution is under-saturated or supersaturated. From the variation of A{sub 2} as a function of temperature we have evaluated the enthalpy corresponding to the interaction between lysozyme molecules. We show that the interactions between protein molecules are higher in heavy water than in light water. (authors). 13 refs., 3 figs.

Energy Technology Data Exchange (ETDEWEB)

The pressure dependence of the photoluminescence (PL) transition associated with the fundamental band gap of ZnO nanowires has been studied at pressures up to 15 GPa. ZnO nanowires are found to have a higher structural phase transition pressure around 12 GPa as compared to 9.0 GPa for bulk ZnO. The pressure-induced energy shift of the near band-edge luminescence emission yields a linear pressure coefficient of 29.6 meV/GPa with a small sublinear term of -0.43 meV/GPa{sup 2}. An effective hydrostatic deformation potential -3.97 eV for the direct band gap of the ZnO nanowires is derived from the result.

International Nuclear Information System (INIS)

We report on the fabrication of nanomechanical devices for shuttling of electrons from one electrode to another. Each device consists of a 20 nm diameter gold nanoparticle embedded within the gap between two gold electrodes. In two different kinds of shuttle-junctions the nanoparticle is attached to the electrodes through either (i) a single layer of 1,8-octanedithiol or (ii) a multilayer of 1-octanethiol molecules. The thiol layers play the role of 'damped springs', such that when a sufficient voltage bias is applied to the junction, the nanoparticle is expected to start oscillating and thereby transferring electrons from one electrode to the other. For both kinds of shuttle-junctions we observed an abrupt increase in the transmitted current above a threshold voltage, which can be attributed to a transition from the stationary to the oscillating regime. The threshold voltage was found to be lower for single-layer shuttle-junctions.

Energy Technology Data Exchange (ETDEWEB)

The influence of small amounts of alloying elements (0.36% Cu and 0.47% Cr) on the semiconducting properties of passive films formed on weathering steels was investigated either in tetraborate/boric acid buffer solution (pH 9.2) or artificial atmospheric environment (SO{sub 2}-containing environment). The electrochemical behaviour was assessed by potentiodynamic polarisation, capacitance measurements and photoelectrochemistry. The chemical characterisation of the films was carried by Auger electron spectroscopy. The polarization results obtained in the buffer solution show that the addition of chromium decreases the passive current density. The capacitance results show that the films behave as an n-type semiconductor with shallow and deep donor levels situated in the forbidden gap. The presence of copper seems to affect the density of the shallow and of the deep donor levels in the forbidden gap, and as chromium, it also ...

UK PubMed Central (United Kingdom)

BackgroundThe orphan nuclear receptor estrogen-related receptor α (ERRα) is a member of the nuclear receptor superfamily. It was identified through a search for genes...Full Text Available

International Nuclear Information System (INIS)

Benzene molecules , present in the proto-planetary nebula CRL 618, are ionized and dissociated by ultraviolet (UV) and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time-of-flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum UV (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C_6H_6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to C-rays. Partial ion ...

British Library Electronic Table of Contents (United Kingdom)

A mechanical model with local resonators is proposed as an acoustic metamaterial that exhibits an unusual frequency-dependent effective stiffness. If treated as an equivalent elastic solid, its effective Young's modulus can become unbounded or vanishingly small at two respective frequencies. Moreover, in a certain frequency range, the effective Young's modulus would become negative, resulting in a band gap that coincides with this frequency range. The wave attenuation behavior and mechanism are studied through numerical simulations on the acoustic metamaterial model. The capability of the metamaterial to selectively block or filter unwanted waves is demonstrated by a numerical simulation example.

Science.gov (United States)

Spontaneous emission in photonic crystals with anisotropic three-dimensional dispersion relation is studied. If the upper level is below a characteristic frequency omega(1), or above omega(2), or between omega(1) and omega(2), the radiation is a localized field with a frequency in the band gap, or a propagating field with a frquency in the band, or a diffusion field, respectively. An analytical expression for the Lamb shift is obtained. The Lamb shift for the current case is small compared to that in an ordinary vacuum or in one- or two-dimensional photonic crystals due to lower density of states. PMID:11017227

British Library Electronic Table of Contents (United Kingdom)

Summation Copper-64 (T1/2?=?12.7 hours; ?+, 0.653?MeV [17.8 %]; ??, 0.579?MeV [38.4 %]) has decay characteristics that allow for positron emission tomography (PET) imaging and targeted radiotherapy of cancer. The well-established coordination chemistry of copper allows for its reaction with a wide variety of chelator systems that can potentially be linked to peptides and other biologically relevant small molecules, antibodies, proteins, and nanoparticles. The 12.7-hours half-life of 64Cu provides the flexibility to image both smaller molecules and larger, slower clearing proteins and nanoparticles. In a practical sense, the radionuclide or the 64Cu-radiopharmaceuticals can be easily shipped for PET imaging studies at sites remote to the production facility. Due to the versatility of 64Cu, ...

International Nuclear Information System (INIS)

We present the effects of heavy CP-even (H) and CP-odd (A) Higgs bosons on the production cross section of the process #gamma##gamma##->#tt at the energy around the mass poles of the Higgs bosons. It is found that interference between H and A with small mass gap, as well as the ones between Higgs bosons and continuum, contributes to the cross section, if the photon beams are polarized and if we observe the helicity of the top quarks. It is demonstrated in the framework of the minimal supersymmetric extension of the standard model that the H and A contributions can be sizable at future #gamma##gamma# colliders for small values of tan #beta#. The methods to measure the CP-parity of the Higgs boson are also presented. The statistical significance of detecting the Higgs signals and measuring the Higgs CP-parity is evaluated. (orig.)

British Library Electronic Table of Contents (United Kingdom)

In this article, several applications of nanomaterials in food packaging and food safety are reviewed, including: polymer/clay nanocomposites as high barrier packaging materials, silver nanoparticles as potent antimicrobial agents, and nanosensors and nanomaterial-based assays for the detection of food-relevant analytes (gasses, small organic molecules and food-borne pathogens). In addition to covering the technical aspects of these topics, the current commercial status and understanding of health implications of these technologies are also discussed. These applications were chosen because they do not involve direct addition of nanoparticles to consumed foods, and thus are more likely to be marketed to the public in the short term.

British Library Electronic Table of Contents (United Kingdom)

It is assumed that protein fibrils manifested in amyloidosis result from an aggregation reaction involving small misfolded protein sequences being in an `oligomeric' or `prefibrillar' state. This review covers recent optical spectroscopic studies of amyloid protein misfolding, oligomerization and amyloid fibril growth. Although amyloid fibrils have been studied using established protein-characterization techniques throughout the years, their oligomeric precursor states require sensitive detection in real-time. Here, fluorescent staining is commonly performed using thioflavin T and other small fluorescent molecules such as 4-(dicyanovinyl)- julolidine and 1-amino-8-naphtalene sulphonate that have high affinity to hydrophobic patches. Thus, populated oligomeric intermediates and related `pre...

International Nuclear Information System (INIS)

At room pressure and temperature the system EuOsub(1-x)Nsub(x) has two solid-solubility ranges, each with the NaCl structure: for 0 =< x =< 0.30 the system is ferromagnetic and semiconducting above the Curie temperature; for 0.92 =< x <1 it is metallic. Conductivity and Seebeck voltages indicate intrinsic behaviour above 310 K with an energy gap that decreases with increasing x for 0 =< x =< 0.30. Magnetic susceptibilities are consistent with 4f"6 configurations at x europium ions per molecule and a ferromagnetic Curie temperature Tsub(C) that increases with x. Low-temperature transport measurements were made only for 0.20 =< x =< 0.30: a minimum in the electrical conductivity, approximately 30 K above Tsub(C) correlates well with the onset of an anomalous low-temperature crystal contraction and with deviations from a Curie-Weiss law typical of short-range magnetic order. Below Tsub(C) there is a metal-to-semiconductor ...

International Nuclear Information System (INIS)

In the frame of the Primary Wall Module prototype manufacturing for ITER, a consistent R and D phase was conducted in order to identify the industrial allowable tolerances and manufacturing problems which would occur when joining pieces by HIPping process during the PW module manufacturing. The purpose of this development was to give as industrial as possible manufacturing routes for joining together large Stainless Steel or DS-Copper pieces with Stainless Steel tubes and for bonding Beryllium tiles onto a curved component surface. The study concerned surface preparations, allowable gaps and joint geometry, Beryllium tile geometry, Titanium interlayer thickness, etc. This R and D phase also allowed the development and validation of different ultrasonic inspection tools needed for plate-plate, tube-plate, edge to edge plate bonding.

Energy Technology Data Exchange (ETDEWEB)

'Regional climate change: hydrology and land-use' is a topic that is being intensively discussed for quite a while already. At the same time, this topic demands consequences both on the level of politics and other decision makers. We scientists bear a particular responsibility for the analysis of existing data, targeted additional research to fill information gaps, and the critical evaluation and interpretation of the obtained results. The currently gathered sub-population of the scientific community is, albeit small, quite representative of a wide spectrum of activities and can very well offer a deeper insight into the current state-of-the-art. We deliberately organized the contributions such as to offer both overviews and results from detailed projects, as well as a close proximity of very well founded results with rather provocative hypotheses. (orig.)

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 ...

CERN Document Server

Small angle neutron scattering (SANS) on the unilamellar vesicle populations (diameter 500 and 1000 angstrom) was used to characterize lipid vesicles from dimyristoylphosphatidylcholine (DMPC) at three phases (gel, ripple, and liquid). Parameters of vesicle populations and internal structure of the DMPC bilayer were characterized on the basis of the Separated Form Factor (SFF) model. Parameters of the internal bilayer structure (thickness of the membrane and the hydrophobic core, hydration, and surface area of lipid molecule) were determined on the basis of the Hydrophobic-Hydrophilic (HH) approximation of neutron scattering length density across the bilayer r(x) and of the Step Function (SF) approximation of r(x). It was demonstrated in frame of HH approximation that DMPC membrane thickness in liquid phase (T=30 degrees) depends on the membrane curvature. The dependence of the DMPC membrane thickness on temperature was restored from the SANS ...

Energy Technology Data Exchange (ETDEWEB)

The availability of new, high-intensity, cold and thermal neutron sources has opened the possibility of performing high-precision fundamental neutron physics experiments, including measurements that study the hadronic weak interaction and standard model test measurements, using neutron decay. The observables in these experiments are usually correlated with the direction of neutron polarization and are often very small (10 8 10 6). Mott-Schwinger scattering of polarized neutrons can produce spin-dependent shifts in beam centroids, which has the potential to produce significant systematic effects for these types of experiments. An accurate calculation of this process for neutral atoms and basic molecules has not been carried out for low neutron energies. In this work, we derive a general expression for the electromagnetic (Mott-Schwinger) contributions to the analyzing power for low-energy neutron scattering. We obtain numerical results for 11 ...

British Library Electronic Table of Contents (United Kingdom)

Purpose HER2 is a transmembrane tyrosine kinase, which is overexpressed in a number of carcinomas. The Affibody molecule ZHER2:342 is a small (7?kDa) affinity protein binding to HER2 with an affinity of 22?pM. The goal of this study was to evaluate the use of ((4-hydroxyphenyl)ethyl)maleimide (HPEM) for radioiodination of ZHER2:342 and to compare the targeting properties of monomeric and dimeric forms of ZHER2:342. Methods The biodistribution of different radioiodinated derivatives of ZHER2:342 was studied in BALB/C nu/nu mice bearing HER2-expressing SKOV-3 xenografts. Biodistributions of 125I-PIB-ZHER2:342 and site-specifically labelled 125I-HPEM-ZHER2:342-C were compared. Biodistributions of monomeric 131I-HPEM-ZHER2:342-C and dimeric 125I-HPEM-(ZHER2:342)2-C were evaluated using a paire...

Energy Technology Data Exchange (ETDEWEB)

Previously we have used atomic force anodisation lithography, with a self-assembled monolayer of hexadecyltrichlorosilane as a resist, to pattern silicon oxide nanostructures onto a p-type silicon (1 0 0) substrate. A condensation reaction was used to immobilise carbon nanotubes with high carboxylic acid functionality directly to the silicon oxide. A further condensation reaction using this surface attached the molecule ferrocenemethanol to the bound nanotubes. These new nanostructures were used as electrodes to observe the oxidation and reduction of ferrocene. However, because the small currents measured are near the detection limits of the electrochemical system used, important electrode kinetics could not to be obtained. A scribing approach made larger regions of oxidised silicon leading to the creation of larger scale patterned arrangements of carbon nanotubes allowing measurement of important electrochemical parameters such as electrode ...

British Library Electronic Table of Contents (United Kingdom)

An unsymmetrical squaraine dye which contains an arylamino group was synthesized and used in dye-sensitized solar cells. The molar extinction coefficient of the dye is 77793 M-1 cm-1. Because our synthesized molecule may have no diradical character or the contribution of the diradicaloid component to resonance is quite small, the newly designed squaraine dye has a maximum absorption at 546 nm in the visible region compared with the NIR squaraine sensitizers. Cyclic voltammetry and time dependent density function theory calculation were accomplished to scrutinize the sensitized performance of the dye. Meanwhile, the novel sensitizer has been used to sensitize nanocrystalline TiO2-based solar cell. Under standard global AM 1.5 solar conditions, the squaraine dye-sensitized cell gives a short...

British Library Electronic Table of Contents (United Kingdom)

Abstract Evaluation of pharmaceutical agents in children is now conducted earlier in the drug development process. An important consideration for this pediatric use is how to assess and support its safety. This article is a collaborative effort of industry toxicologists to review strategies, challenges, and current practice regarding preclinical safety evaluations supporting pediatric drug development with biopharmaceuticals. Biopharmaceuticals include a diverse group of molecular, cell-based or gene therapeutics derived from biological sources or complex biotechnological processes. The principles of preclinical support of pediatric drug development for biopharmaceuticals are similar to those for small molecule pharmaceuticals and in general follow the same regulatory guidances outlined by...

Science.gov (United States)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In particular, the study of transition metal complexes that bind DNA with specificity has been a burgeoning field. This growth has been due in large part to the useful properties of metal complexes, which possess a wide array of photophysical attributes and allow for the modular assembly of an ensemble of recognition elements. Here we review recent experiments in our laboratory aimed at the design and study of octahedral metal complexes that bind DNA non-covalently and target reactions to specific sites. Emphasis is placed both on the variety of methods employed to confer site-specificity and upon the many applications for these complexes. Particular attention is given to the family of complexes recently designed that target single base mismatches in duplex ...

British Library Electronic Table of Contents (United Kingdom)

Oxidative degradation of methylene blue (MB) by Co^2^+-HCO3^- system with H2O2 in aqueous solution was studied. Nearly complete decolorization of the dye was obtained in less than 50min in diluted NaHCO3 solution (25mM) in the presence of only 20mM Co^2^+ ions. Meanwhile, the conjugated structure and phenyl rings of the MB molecule were destroyed or even broken down into small organic acids and inorganic ions, as indicated by FT-IR spectra and ion-chromatography. Photoluminescence probing and radical scavenging technologies suggested that the reaction of MB degradation in this system mainly involved the generation and participation of hydroxyl radicals. Furthermore, by cyclovoltammetric measurements, the in situ formed different complexes between Co^2^+ and HCO3^- were observed at differen...

Energy Technology Data Exchange (ETDEWEB)

Y-zeolite supported catalysts were applied to the hydrocracking of coal-derived liquids. By the introduction of two-stage upgrading consisting of hydrotreating and hydrocracking, Wandoan coal-derived middle distillate was hydrocracked over Ni-Mo/Y-zeolite, producing a high gasoline fraction yield. Zeolite supported catalysts gave little hydrocracked compounds in the hydroprocessing of coal-derived heavy oils, even after hydrotreatment. The reaction inhibitors which seriously poison the active sites of zeolites were found to be small nitrogen-containing molecules. In the hydroprocessing of coal-derived heavy oils, zeolite supported catalysts were inferior to alumina supported catalysts. This is due to the high hydrocracking but low hydrogenation activity of zeolite supported catalysts. 22 refs., 5 figs., 11 tabs.

Science.gov (United States)

UV dwarf star evolution, using central and gap star models emphasizing photoneutrino emission

Science.gov (United States)

Calcium-activated chloride channels (CaCCs) are widely expressed in mammalian tissues, including intestinal epithelia, where they facilitate fluid secretion. Potent, selective CaCC inhibitors have not been available. We established a high-throughput screen for identification of inhibitors of a human intestinal CaCC based on inhibition of ATP/carbachol-stimulated iodide influx in HT-29 cells after lentiviral infection with the yellow fluorescent halide-sensing protein YFP-H148Q/I152L. Screening of 50,000 diverse, drug-like compounds yielded six classes of putative CaCC inhibitors, two of which, 3-acyl-2-aminothiophenes and 5-aryl-2-aminothiazoles, inhibited by >95% iodide influx in HT-29 cells in response to multiple calcium-elevating agonists, including thapsigargin, without inhibition of calcium elevation, calcium-calmodulin kinase II activation, or cystic fibrosis transmembrane conductance regulator chloride channels. These compounds also inhibited calcium-dependent chloride ...

Science.gov (United States)

In this paper, we evaluate the performance of the 1- and 5-site models of methane on the description of adsorption on graphite surfaces and in graphitic slit pores. These models have been known to perform well in the description of the fluid-phase behavior and vapor-liquid equilibria. Their performance in adsorption is evaluated in this work for nonporous graphitized thermal carbon black, and simulation results are compared with the experimental data of Avgul and Kiselev (Chemistry and Physics of Carbon; Dekker: New York, 1970; Vol. 6, p 1). On this nonporous surface, it is found that these models perform as well on isotherms at various temperatures as they do on the experimental isosteric heat for adsorption on a graphite surface. They are then tested for their performance in predicting the adsorption isotherms in graphitic slit pores, in which we would like to explore the effect of confinement on the molecule packing. Pore widths of 10 and 20 A are chosen in this ...

Energy Technology Data Exchange (ETDEWEB)

A method to identify hadronic molecules in the particle spectrum is reviewed and the conditions for its applicability discussed. Special emphasis is put on the discussion of molecule candidates in the baryon spectrum. (orig.)

Environmental Research Database

SummaryNanoparticles are increasingly being used in industry. Their potential to cause adverse health effects is due to their very small particles size (less than 100nm). A review is to be carried out to explore a) the use/release of nanoparticles in industry, b) current practices to control exposure and c) the potential levels of workplace exposure. The report will contain a discussion of what is current best practice to control exposure to nanoparticles. It will also indicate where the gaps in kn [continued...]ObjectivesA written report that draws upon disparate sources of available information and uses competent occupational hygiene expertise to form expert opinion on the implications. Key measures will the demonstration reasoned arguments supported by data from both current deliberate manufacturing of nanoparticles and incident nanoparticle production. The report will include all viable occupational exposure routes.Description1. Identify ...

Energy Technology Data Exchange (ETDEWEB)

An ignition device of the plasma jet type is disclosed. The device has a cylindrical cavity formed in insulating material with an electrode at one end. The other end of the cylindrical cavity is closed by a metal plate with a small orifice in the center which plate serves as a second electrode. An arc jumping between the first electrode and the orifice plate causes the formation of a highly-ionized plasma in the cavity which is ejected through the orifice into the engine cylinder area to ignite the main fuel mixture. Two improvements are disclosed to enhance the operation of the device and the length of the plasma plume. One improvement is a metal hydride ring which is inserted in the cavity next to the first electrode. During operation, the high temperature in the cavity and the highly excited nature of the plasma breaks down the metal hydride, liberating hydrogen which acts as an additional fuel to help plasma formation. A second improvement consists of a cavity ...

International Nuclear Information System (INIS)

The Department of Nuclear Engineering and Fluid Mechanics in the University of the Basque Country (UPV-EHU), has done calculations for the proposed benchmark problem, in the frame of the 11th international meeting of the IAHR working group on advanced nuclear reactors thermal-hydraulics (Obninsk-Russian Federation, 5-9 July 2004). The purpose of the benchmark is to compare experimental and analytical results of some experiments carried out in the State Scientific Center of Russian Federation 'Institute of Physics and Power Engineering' (SSC RF IPPE). These experiments were held to research the cooling of pin bundles by liquid metals in reference to the core of Nuclear Reactors such as BREST. The analytical results have been done with the Computational Fluid Dynamics (CFD) code FLUENT. Temperature and velocity fields are the main variables considered for the comparison, and some assumptions has been made in order to simplify a complicate geometry with grids and ...

Energy Technology Data Exchange (ETDEWEB)

GaP and AlGaP were grown by atmospheric pressure OMVPE on GaP substrates using tertiarybutylphosphine as the phosphorus source. A specular surface of GaP was obtained on a (100) just-oriented surface at 700deg C. Hazy but uniform thickness AlGaP was obtained. The growth efficiency for GaP was 1.2x10{sup 3}{mu}m/mol and that for AlGaP was 2.1x10{sup 3}{mu}m/mol.4.2 K photoluminescence showed near-edge emission from both GaP and AlGaP. (orig.).

DEFF Research Database (Denmark)

Udgivelsesdato: 1988-Jul

DEFF Research Database (Denmark)

Udgivelsesdato: DEC

Energy Technology Data Exchange (ETDEWEB)

A major factor for the achievement of the desirable performance, efficiency and lifetime of flexible organic electronic devices is the optimization of the encapsulation layers that protect the device active layers by atmospheric gas molecule permeation. The active layers consisted of small molecule and/or polymer organic semiconductors as well as the organic conductors need to be encapsulated into a transparent medium that will provide the necessary protection and maintain their charge generation and transport characteristics. The encapsulation layers are generally consisted of inorganic thin films (silicon oxide-SiO{sub x} and aluminium oxide-AlO{sub x}) deposited onto the polymeric substrates, such as PolyEthylene Terephthalate (PET). In this work, in situ and real-time Spectroscopic Ellipsometry in the ultraviolet spectral region has been implemented in order to investigate the growth of inorganic SiO{sub x} and AlO{sub ...

Energy Technology Data Exchange (ETDEWEB)

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations either by choosing a sufficiently ...

CERN Document Server

A simple analytical model of the barrier discharge in a long gap between opposing plane electrodes is developed. It is shown that the plasma density becomes uniform over large part of the gap in the course of the discharge development, so that one can speak of a formation of a dynamic positive column. The column completely controls the dynamics of the barrier discharge and determines such characteristics as the discharge current, discharge duration, light output, etc. Using the proposed model, all discharge parameters can be easily evaluated

CERN Document Server

The most striking feature of quantum mechanics is the existence of superposition states, where an object appears to be in different situations at the same time. Up to now, the existence of such states has been tested with small objects, like atoms, ions, electrons and photons, and even with molecules. Recently, it has been even possible to create superpositions of collections of photons, atoms, or Cooper pairs. Current progress in optomechanical systems may soon allow us to create superpositions of even larger objects, like micro-sized mirrors or cantilevers, and thus to test quantum mechanical phenomena at larger scales. Here we propose a method to cool down and create quantum superpositions of the motion of sub-wavelength, arbitrarily shaped dielectric objects trapped inside a high--finesse cavity at a very low pressure. Our method is ideally suited for the smallest living organisms, such as viruses, which survive under low vacuum pressures, ...

Energy Technology Data Exchange (ETDEWEB)

The single-electrode capacitance of a nano-porous carbon electrode used as an electric double layer capacitor was measured. The charged state of the electrolyte ion was discussed from the results. Single-electrode capacitance was not proportional to the specific surface area of the electrode. This implies that the whole surface of the electrode is not effective for the formation of an electric double layer. It is considered that edge orientation of the carbon structure would give a dominant contribution to capacitance. For measurements with aqueous solutions of various electrolytes, capacitance was about the same value for each salt compound. For aqueous acid solution, on the other hand, capacitance was twice to three times as large as that for salt compounds. This difference, however, became negligibly small if the concentration of electrolyte solution was lowered. Taking account of the hydrated ionic radius of each ion, it was considered that ions in salt ...

Science.gov (United States)

The recent development of matrix-assisted UV laser desorption (LD) mass spectrometry has made possible the ionization and detection of extremely large molecules (with molecular weights exceeding 100,000 Daltons). This technique has generated enormous interest in the biological community for the direct examination of large peptides and oligonucleotides. Although this matrix-assisted ionization method has been developed and used almost exclusively with time-of-flight (TOF) mass spectrometers, research is currently in progress to demonstrate this technique with trapped ion mass spectrometers, such as Fourier transform ion cyclotron resonance mass spectrometry (FTMS). The potential capabilities of FTMS for wide mass range, high resolution measurement, and ion trapping experiments suggest that this instrumental technique should be useful for the detailed structural characterization of large ions generated by the matrix-assisted technique. We have recently demonstrated ...

Energy Technology Data Exchange (ETDEWEB)

For many years, {beta} radioactivity has been used to label molecules and follow them in various biological processes. {beta} imaging is obtained by autoradiography. Classically made on films or on photographic emulsions, autoradiography is now supplanted by radio-imagers which are very performing. The phosphor-imager, {beta}-imager and {mu}-imager are the systems mainly used today and their operating principles and properties are compared. The great advantages of these imagers are: their rapidity to obtain results and their reliability for absolute quantification. All emitters ({beta}{sup -}, {beta}{sup -} -{gamma} and {beta}{sup +}) are detectable as well as the gamma emitters of nuclear medicine, by means of their low energy electrons ejected during y emission. Phosphor-imager is well suited to energetic tracers and large series of experiments. Real time radio-imagers ({beta}-imager and {mu}-imager) are preferred to verify experimental conditions. The ...

Energy Technology Data Exchange (ETDEWEB)

Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the normal hydration range of a working fuel ...

International Nuclear Information System (INIS)

The inducible transcription factor NF-#kappa#B regulates divergent signaling pathways including inflammatory response and cancer development. Selective inhibitors for NF-#kappa#B signaling are potentially useful for treatment of inflammation and cancer. NF-#kappa#B is canonically activated by preferential disposal of its inhibitory protein; I#kappa#B, which suppresses the nuclear translocation of NF-#kappa#B. I#kappa#B#alpha# (a major member of I#kappa#B family proteins) is phosphorylated with an I#kappa#B kinase (IKK) and subsequently polyubiquitylated by SCF"#beta#"T"r"C"P"1 ubiquitin-ligase in the presence of E1 and E2 prior to proteasomal degradation. Here, we describe a novel inhibitor termed GS143, which suppressed I#kappa#B#alpha# ubiquitylation, but not I#kappa#B#alpha# phosphorylation, MDM2-directed p53 ubiquitylation, and proteasome activity in vitro. GS143 markedly suppressed the destruction of I#kappa#B#alpha# stimulated by TNF#alpha# and a set of downstream responses ...

Energy Technology Data Exchange (ETDEWEB)

Three dimensional computational fluid dynamic (CFD) calculations of a typical prismatic very high temperature gas-cooled reactor (VHTR) were conducted to investigate the influence of gap geometry on flow and temperature distributions in the reactor core using commercial CFD code FLUENT. Parametric calculations changing the gap width in a whole core length model of fuel and reflector columns were performed. The simulations show the effects of core by-pass flows in the heated core region by comparing results for several gap widths including zero gap width. The calculation results underline the importance of considering inter-column gap width for the evaluation of maximum fuel temperatures and temperature gradients in fuel blocks. In addition, it is shown that temperatures of core outlet flow from gaps and channels are strongly affected by the ...

International Nuclear Information System (INIS)

Ultraveiolet spectroscopy of molecules in vapour phase gives valuable information about electronic structure of free molecules. But in many cases vaipour phase investigations are not possible and in order to isolate molecules within solid lattice, we used cryogenic temperature and high vacuum technology to study absorption spectrum within the spectral range (230-270)nm of an isolated benzene molecule in Argon, Krpton, Nitrogen, Carbon and methane matrices. The spectra shifts were measured and calculated in the matrix environment for the electronnic transition (B 24--A 19) in benzene molecule using the matrices mentioned above. Molar extinction coefficients and oscillator strength were measured too. (7 tabs., 32 figs., 50 refs.).

Energy Technology Data Exchange (ETDEWEB)

{sup 188}Re is a {beta}{sup -} (Emax=2.12 MeV) and {gamma} (155 keV) emitter. Since its chemistry is similar to that of the largely employed tracer, {sup 99m}Tc, molecules of hyaluronic acid (HA) have been labelled with {sup 188}Re to produce a target specific radiopharmaceutical. The radiolabeled compound, i.v. injected in healthy mice, is able to accumulate into the liver after a few minutes. To study the effect of metabolic radiotherapy in mice, we have built a small gamma camera based on a matrix of YAP:Ce crystals, with 0.6x0.6x10 mm{sup 3} pixels, read out by a R2486 Hamamatsu PSPMT. A high-sensitivity 20 mm thick lead parallel-hole collimator, with hole diameter 1.5 mm and septa of 0.18 mm, is placed in front of the YAP matrix. Preliminary results obtained with various phantoms containing a solution of {sup 188}Re and with C57 black mice injected with the {sup 188}Re-HA solution are presented. To increase the space resolution and to ...

UK PubMed Central (United Kingdom)

A method for the study of conjugated polyelectrolyte (CPE) photophysics in solution at the single-molecule level is described. Extended observation times of single polymer molecules are enabled by the...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Solid molecular orthohydrogen exhibits orientational order at low temperatures. The orthohydrogen molecules, which are quadrupoles, order in the Pa3 structure. We have simulated this ordering, and explored the behaviour under dilution by spherical parahydrogen molecules.

Energy Technology Data Exchange (ETDEWEB)

The hyperfine splitting in the rotational levels of the C/sub 2/H molecule is calculated as far as N = 10. Line strengths and transition probabilities are determined for permitted transitions with DN = 1, DF = 0, +- 1.

UK PubMed Central (United Kingdom)

Investigations of enzymes involved in DNA metabolism have strongly benefited from the establishment of single molecule techniques. These experiments frequently require elaborate DNA substrates, which...Full Text Available

International Nuclear Information System (INIS)

... carbon 14 cholera gels labelling membranes molecules proteins receptors

Energy Technology Data Exchange (ETDEWEB)

Systematic studies of the NdFeAsOF superconducting energy gap using point-contact Andreev-reflection (PCAR) spectroscopy are presented. At low temperatures the PCAR conductance spectra show a pair of gap-like peaks at about {+-} (4-7) mV and in most cases also a pair of humps at around {+-} 10 mV. Fits to the s-wave two-gap model of the PCAR conductance allowed to determine two superconducting energy gaps in the system. However, the energy-gap features disappear at T* = 15-20 K, much below the particular T{sub c} of the junction under study. At T* a zero-bias conductance (ZBC) peak emerges, which at higher temperatures usually overwhelms the spectrum with an intensity significantly higher than the conductance signal at lower temperatures. Possible causes of this unexpected temperature effect are discussed. In some cases the conductance spectra show just a reduced conductance around ...

International Nuclear Information System (INIS)

Isotopically selective IR multiphoton dissociation of molecules (SF_6, CF_3I) in a pulsed gas-dynamic flow interacting with a solid surface was studied for the first time. A noticeable (severalfold) increase in the yield of products (compared to excitation of molecules in an unperturbed flow) without a substantial decrease in the selectivity of the process was observed. Possible reasons for the effect are discussed. (laser applications and other topics in quantum electronics)

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new method for the determination of the energy gap of superconductors. The V/sub max//kT versus ..delta../kT curve was calculated from tunneling theory. The maximum voltage in differential conductance V/sub max/ was measured from the electron tunneling spectrum. From V/sub max//kT and the curve, one can easily calculate the energy gap value ..delta... This method is simple, and the accuracy almost approaches that of the curve-fitting method.

Energy Technology Data Exchange (ETDEWEB)

A new method for determining the energy gap of a superconductor using the maximum in the differential conductance curve of electron tunneling spectrum is given in this paper. The V/sub max//kT versus ..delta../kT curve was calculated from tunneling theory. V/sub max/, the voltage of the conductance maximum, can be measured from electron tunneling spectrum. ..delta../kT can be found from this curve, then the energy gap ..delta.. can be calculated. This method is simple, fast and accurate. The accuracy almost approaches that of the curve fitting method.

International Nuclear Information System (INIS)

This paper reports about in-situ corrosion studies on selected materials for long-term resistant high-level waste (HLW) packagings acting as a barrier in a rock salt repository. The materials (Ti 99.8-Pd, Hastelloy C4 and five iron-base materials) were investigated in heated boreholes in the Asse salt mine under simulated HLW disposal conditions prevailing in normal operation of repository and in certain accident scenarios. The experiments under normal operating conditions were performed at temperatures of 120 deg. C to 210 deg. C (vertical temperature profile in the boreholes) without and with gamma irradiation (3#centre dot#10"2 Gy/h, Co-60 source) within the framework of the German/US Brine Migration Test. In these experiments only small amounts of migrated brine inclusions (NaCl-rich) from the rock salt were present as corrosion medium. In the experiments carried out under simulated accident conditions with intrusion of larger amounts of NaCl brine into the HLW ...

Energy Technology Data Exchange (ETDEWEB)

A unique beam of pulsed electrons has been developed using the 19-MeV, 700-kA Hermes-III accelerator. The extended planar-anode diode is used to extract at large radius an annular electron beam from the accelerator and inject the resulting beam at small angle into a low-pressure gas cell, where the beam is rapidly charge neutralized and almost current neutralized. Under these conditions, the beam propagates nearly ballistically to a focus downstream of injection, where objects can be placed for irradiation and study. For a focal length of 78 cm, measurements with a segmented calorimeter show that this configuration can deliver an energy deposition of 200 J/g [20 Mrad] over a useful area of 70 cm{sup 2} and a 4-cm depth in graphite in 25 ns. Increasing the injection angle by reducing the AK gap permits higher doses over smaller areas to be achieved. Such beams are of interest for the study of material property changes from short-pulse ...

Energy Technology Data Exchange (ETDEWEB)

The group- V vacancy pair, the so-called E-center, has recently been demonstrated to have, both in Si and Ge, more complicated energy-level schemes in the energy gap than were previously assumed. The E-center in silicon has, in addition to its well-established single-acceptor level in the upper half of the band gap, also a donor level in the lower half of the band gap; this donor level has lain hidden for more than 40 years. The E-center in Ge has an even more complicated level scheme as it induces, in addition to two levels analogous to those found in Si, also a double-acceptor level in the upper half of the band gap. Thus the E-center in Si can exist in three charge states and the E-center in Ge in four.

Science.gov (United States)

... an Page 15. NSWC TR 86-32 exploding bridgewire detonator containing PETN rather, than a pri'mary explosive. However ...

International Nuclear Information System (INIS)

The disrupted magnetic braking theory for the period gap of cataclysmic variable systems is used to study the binary evolution of low-mass main-sequence-like stars with white dwarf companions. The model is able to reproduce the observed location and width of the gap provided that the average mass transfer rates above the upper edge of the gap are greater than about 1.9 x 10 to the -9th solar masses/yr. For the case of angular momentum loss by magnetic braking, the slope of the mass transfer rate with respect to orbital period is shown to range from 3.4 to 3.7. For the evolutionary sequences considered, the He-3 abundance at the surface of the secondary exceeds 0.0015 after the complete mixing phase, resulting in modifications in the nuclear burning development of nova explosions. 31 refs.

Energy Technology Data Exchange (ETDEWEB)

Energy flows in deep inelastic electron-proton scattering are investigated at a centre-of-mass energy of 296 GeV for the range Q{sup 2}{>=}10 GeV{sup 2} using the ZEUS detector. A comparison is made between events with and without a large rapidity gap between the hadronic system and the proton direction. The energy flows, corrected for detector acceptance and resolution, are shown for these two classes of events in both the HERA laboratory frame and the Breit frame. From the differences in the shapes of these energy flows we conclude that QCD radiation is suppressed in the large-rapidity-gap events compared to the events without a large rapidity gap. (orig.)

British Library Electronic Table of Contents (United Kingdom)

The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...

Energy Technology Data Exchange (ETDEWEB)

A theoretical analysis of formation and symmetry transformations is presented for Wigner molecules with N = 2,..., 20 electrons confined in quantum dots at high magnetic fields. Using the unrestricted Hartree-Fock method with the multicentre Gaussian basis, we have found that Wigner molecules with N {>=} 6 abruptly change their shape and symmetry with an associated jump in the first derivative of the ground-state energy, i.e. they undergo phase transitions. In particular, the phases of the Wigner molecules obtained just after emerging from the maximum-density droplet (MDD) phase possess a different symmetry from that formed at a high magnetic field. We show that the properties of the electron-electron interaction energy demonstrate very well both the breakdown of the MDD and the quasi-classical character of the Wigner molecule in the high magnetic field. Possible mechanisms of the MDD decay are ...

Energy Technology Data Exchange (ETDEWEB)

The aim of this project is to investigate the dependence of the cross sections for dissociative electron attachment to a molecule on the initial rovibrational state of the molecule. An enhancement of the cross section results in the enhancement of the rate of production of negative ion beams. Preliminary investigations reveal that for lithium dimers, Li/sub 2/, the peak attachment cross sections can increase by almost an order of magnitude if the molecule is initially vibrationally excited to the v = 1 level. Excitation to higher vibrational levels would result in further enhancement of the attachment rates. As part of present investigations, the cross sections for vibrational excitation of various molecules, using both resonant and nonresonant mechanisms is calculated.

Energy Technology Data Exchange (ETDEWEB)

The paper gives results of a study to identify active sites and surface functional groups that may contribute to the absorption of elemental mercury (Hg) by relatively inexpensive calcium (Ca)-based sorbents. The study investigated the formation of chlorine (Cl) sites in CA-based sorbents as well as their role and reactivity in the absorption of Hg. HCl-exposed calcium sulfate dihydrate (gypsum) exhibited a superior Hg sorption capability. Crystalline water molecules on the surface of the gypsum were confirmed to contribute indirectly to Hg uptake. These surface molecules may have absorbed HC1 through hydrogen bond formation between an oxygen atom of a crystalline water molecule and a hydrogen atom of an HCl molecule. Two adjacent, physically absorbed HCl molecules could then trap an Hg molecule through formation of a mercuric-chloride-like ...

CERN Document Server

Single-case and Small-n Experimental Designs

Energy Technology Data Exchange (ETDEWEB)

This report contains information about the effect of frequency on the breakdown voltage of an air gap at standard pressure and temperature, 76 mm Hg and O{degrees}C, respectively. The frequencies of interest are 47 MHz and 60 MHz. Additionally, the breakdown in vacuum is briefly considered. The breakdown mechanism is explained on the basis of collision and ionization. The presence of the positive ions produced by ionization enhances the field in the gap, and thus determines the breakdown. When a low-frequency voltage is applied across the gap, the breakdown mechanism is the same as that caused by the DC or static voltage. However, when the frequency exceeds the first critical value f{sub c}, the positive ions are trapped in the gap, increasing the field considerably. This makes the breakdown occur earlier; in other words, the breakdown voltage is lowered. As the frequency increases two decades or more, ...

Energy Technology Data Exchange (ETDEWEB)

Bone marrow is one of the most radiosensitive organs. Irradiation causes a marked decrease in the total number of hematopoietic cells in the bone marrow. The reticular meshwork structure of marrow stromal cells, however, is relatively resistant to irradiation. Unimpaired stromal cell structure has been thought to be a prerequisite for the repopulation of hematopoietic cells during recovery from the effects of irradiation. The reticular framework is maintained by cell adhesion apparatuses such as gap junctions. The in vitro radiobiologic survival values of a cloned stromal cell line, H-1/A, were studied (n = 1.8, D0 = 138 cGy). Radiation doses of up to 4000 cGy had no detectable effects on the production of colony-stimulating factor 1. H-1/A cells communicate with each other via gap junctions as determined by the sensitive dye-transfer method. Gap-junctional communication between H-1/A cells was resistant to different levels ...

Energy Technology Data Exchange (ETDEWEB)

The accurate prediction of local hot spot during normal operation is important to ensure core thermal margin in a very high temperature gas-cooled reactor because of production of its high temperature output. The active cooling of the reactor core determining local hot spot is strongly affected by core bypass flows through the inter-column gaps between graphite blocks and the cross gaps between two stacked fuel blocks. The bypass gap sizes vary during core life cycle by the thermal expansion at the elevated temperature and the shrinkage/swelling by fast neutron irradiation. This study is to investigate the impacts of the variation of bypass gaps during core life cycle as well as core restraint mechanism on the amount of bypass flow and thus maximum fuel temperature. The core thermo fluid analysis is performed using the GAMMA+ code for the PMR200 block-core design. For the analysis not only are some ...

Energy Technology Data Exchange (ETDEWEB)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, T{sub g}, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of T{sub g} is observed for small pore sizes and attractive surface while T{sub g} decreases for non ...

Energy Technology Data Exchange (ETDEWEB)

The purpose was to develop a simplified and reliable method of separating free from antibody-bound ligand using a precipitating antibody linked to a cellulose derivative. Dose-response curves and control sera were set up in parallel for various pituitary and placental polypeptides, steroid hormones, insulin, glucagon, triiodothyronine, thyroxine, angiotensin I, calcitonin, gastrin, cyclic AMP, and digoxin. After first-antibody reactions had reached equilibrium, free and bound ligand were separated using a double-antibody solid-phase system in parallel with conventional methods, including dextran-coated charcoal, double-antibody precipitation, single-antibody solid phase, organic solvents, salt precipitation, and anion-exchange resins. The effect of variations in temperature, incubation time, protein content, pH, and amount of separating material added were studied. The results showed that separation was complete within 1 hr for small ligand ...

Energy Technology Data Exchange (ETDEWEB)

A hyaluronic acid binding fraction was purified from the supernatant media of both 3T3 and murine sarcoma virus (MSV) transformed 3T3 cultures by hyaluronate and immunoaffinity chromatography. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis resolved the hyaluronate affinity-purified fraction into three major protein bands of estimated molecular weight (M/sub r,e/) 70K, 66K, and 56K which contained hyaluronate binding activity and which were termed hyaluronate binding proteins (HABP). Hyaluronate affinity chromatography combined with immunoaffinity chromatography, using antibody directed against the larger HABP, allowed a 20-fold purification of HABP. Fractions isolated from 3T3 supernatant medium also contained additional binding molecules in the molecular weight range of 20K. This material was present in vanishingly small amounts and was not detected with a silver stain or with (/sup 35/S)methionine label. The three protein species ...

Science.gov (United States)

The performance of intermolecular potential models on the adsorption of carbon tetrachloride on graphitized thermal carbon black at various temperatures is investigated. This is made possible with the extensive experimental data of Machin and Ross(1), Avgul et al.,(2) and Pierce(3) that cover a wide range of temperatures. The description of all experimental data is only possible with the allowance for the surface mediation. If this were ignored, the grand canonical Monte Carlo (GCMC) simulation results would predict a two-dimensional (2D) transition even at high temperatures, while experimental data shows gradual change in adsorption density with pressure. In general, we find that the intermolecular interaction has to be reduced by 4% whenever particles are within the first layer close to the surface. We also find that this degree of surface mediation is independent of temperature. To understand the packing of carbon tetrachloride in slit pores, we compared the performance of the ...

DEFF Research Database (Denmark)

There is very little known about the long-term evolution of the MHC and MHC-like molecules. This is because both the theory (the evolutionary questions and models) and the practice (the animals systems, functional assays and reagents to identify and characterize these molecules) have been difficult to develop. There is no molecular evidence yet to decide whether vertebrate immune systems (and particularly the MHC molecules) are evolutionarily related to invertebrate allorecognition systems, and the functional evidence can be interpreted either way. Even among the vertebrates, there is great heterogeneity in the quality and quantity of the immune response. The functional evidence for T-lymphocyte function in jawless and cartilagenous fish is poor, while the bony fish seem to have many characteristics of a mammalian immune system. The organization and sequence of fish Ig genes also indicate that important events in the ...

Energy Technology Data Exchange (ETDEWEB)

Alternative mechanisms of electron state excitation in diatomic molecules are examined with reference to CN and C2 molecules forming in chemical reactions behind strong shock wave fronts in a CO(CO2)-N2 gas mixture. The temperature range considered is 4000-8000 K. An effective excitation mechanism is proposed which involves rapid vibration-rotation excitation at all electron states and nonradiative transitions between perturbed electron states induced by collisions with the ambient gas particles.

Energy Technology Data Exchange (ETDEWEB)

The thermophotovoltaic (TPV) option was not selected for further deep space mission technology development in NASA for several reasons. Chief among them was the large radiator required to keep the photovoltaic cells at a sufficiently low operating temperature. This led to significant integration problems with the spacecraft and limited sensor view angles. It is clear that the issue of cell temperature is crucial for space applications because of radiator size and system impact. Many efforts have focused on matching cell band gap to appropriate emitters in the 1 to 2 {mu}m range, resulting in band gaps in the 0.5 to 0.8 eV range. However, low band gaps lead to low open circuit voltages ({approximately}0.25 to 0.45 V) caused by high intrinsic carrier concentrations (n{sub i}{sup 2}). Thus, in order to obtain high performance. Photovoltaic cell temperatures must be kept near room temperature. This leads to the inevitable ...

Science.gov (United States)

... the ct-neurotoxin from Dendroaspis viridis venom (a-DTX) , which binds to four sites on the AcChR molecule (Conti-Tronconi & Raftery 1986). ...

UK PubMed Central (United Kingdom)

There is considerable evidence that purines are vasoactive molecules involved in the regulation of blood flow. Adenosine is a well known vasodilator that also acts as a modulator of the response to...Full Text Available

UK PubMed Central (United Kingdom)

Schizophrenia is a heterogeneous psychiatric disorder in which multiple neurotransmitter systems have been implicated. Increased and decreased dopamine transmission in the subcortical meso-limbic and...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

On efficient glass capillary columns packed with graphitized thermal carbon black (GTCB) the stereoisomers of aromatic and saturated tricyclic hydrocarbons are completely separated and identified. The Henry's adsorption constants of the individual isomers were determined from mixture at different temperatures. Five isomers of perhydroanthracene, five isomers of perhydrofluorene, two isomers of perhydrophenalene, four isomers of perhydroacenaphthene, as well as phenalene, dihydrophenalene, acenaphthene and acenaphthylene were investigated. The increase of the hydrogenization degree of unsaturated tricyclic hydrocarbons reduces the retention. Among the saturated tricyclic isomers the retention becomes shorter with the larger bending of the molecules, i.e. from the molecule having more equatorial bonds to the molecules having more axial connections. The experimentally determined Henry's constants were ...

Energy Technology Data Exchange (ETDEWEB)

The present invention relates generally to an apparatus and method for separating high molecular weight molecules from low molecular weight molecules. More specifically, the invention relates to the use of microdialysis for removal of the salt (low molecular weight molecules) from a nucleotide sample (high molecular weight molecules) for ESI-MS analysis. The dialysis or separation performance of the present invention is improved by (1) increasing dialysis temperature thereby increasing desalting efficiency and improving spectrum quality; (2) adding piperidine and imidazole to the dialysis buffer solution and reducing charge states and further increasing detection sensitivity for DNA; (3) using low concentrations of dialysis buffer and shifting the DNA negative ions to higher charge states, producing a nearly 10-fold increase in detection sensitivity and a slightly decreased desalting efficiency, or (4) ...

International Nuclear Information System (INIS)

... kinetics chemical reactions energy dependence ion-molecule collisions milli

British Library Electronic Table of Contents (United Kingdom)

The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...

UK PubMed Central (United Kingdom)

PurposeTo analyze the expression of apoptosis and cell proliferation molecules in pterygium tissues of Chinese patients.MethodsThirty-three pterygia...Full Text Available

CERN Document Server

Calculations relating to two experiments that demonstrate coherent control of preformed rubidium-85 molecules in a magneto-optical trap using ultrafast laser pulses are presented. In the first experiment, it is shown that pre-associated molecules in an incoherent mixture of states can be made to oscillate coherently using a single ultrafast pulse. A novel mechanism that can transfer molecular population to more deeply bound vibrational levels is used in the second. Optimal parameters of the control pulse are presented for the application of the mechanism to molecules in a magneto-optical trap. The calculations make use of an experimental determination of the initial state of molecules photoassociated by the trapping lasers in the magneto-optical trap and use shaped pulses consistent with a standard ultrafast laser system.

UK PubMed Central (United Kingdom)

This paper describes attempts to isolate and characterize glycosaminoglycan (GAG)-binding molecules on the surface of lymphocytes and lymphoma cell lines and relate their expression to splenic and lymph...Full Text Available

Science.gov (United States)

Hydrogen molecule adsorption on the (0001) surface of double hexagonal closed packed americium has been studied in detail within the framework of density functional theory. Weak molecular hydrogen adsorptions were observed. The most stable configuration corresponded to a Hor2 approach molecular adsorption at the one-fold top site where the molecule's approach is perpendicular to a lattice vector. Adsorption energies and adsorption geometries for different adsorption sites will be discussed. The change in work functions, magnetic moments, partial charges inside muffin-tins, difference charge density distributions and density of states for the bare Am slab and the Am slab after adsorption of the hydrogen molecule will be discussed. Reaction barrier for the dissociation of hydrogen molecule will be presented. The implications of adsorption on Am 5f electron localization-delocalization will be summarized.

Science.gov (United States)

An estimate of the undercounted electrostatic energy terms in local-density-functional total-energy calculations for nonmetallic systems with separated electron-hole pairs is used to derive a simplified correction to density-functional - theory band gaps. The correction is evaluated for Ne, Ar, Kr, LiF, NaCl, CsCl, MgO, CaS, BaS, C, AlP, and Si. The band-gap errors are reduced from 40-50% to 10-15% for most of the systems studied. Conduction-band corrections are shown to be nearly as large as valence-band corrections in free-electron-like semiconductors. 28 references, 1 figure.

International Nuclear Information System (INIS)

The newly discovered oxypnictide family of superconductors show very high critical temperatures of up to 55 K. Whilst there is growing evidence that suggests a nodal order parameter, point contact Andreev reflection spectroscopy can provide crucial information such as the gap value and possibly the number of energy gaps involved. For the oxygen deficient NdFeAsO_0_._8_5 with a T_c of 45.5 K, we show that there is clearly a gap value at 4.2 K that is of the order of 7 meV, consistent with previous studies on oxypnictides with lower T_c. In addition, taking the spectra as a function of gold tip contact pressure reveals important changes in the spectra which may be indicative of more complex physics underlying this structure. (rapid communication)

Science.gov (United States)

This paper discusses the mechanisms of gas breakdown at low values of pressure and inter-electrode gap, i.e. in the vicinity of the Paschen minimum. In this area of pressure and inter-electrode gap values, breakdown occurs either through gas or vacuum mechanisms, and also the so called anomalous Paschen effect appears. Electrical breakdown of electropositive, electronegative and noble gases has been investigated theoretically, experimentally and numerically. Based on the results obtained, regions in which particular breakdown mechanisms appear have been demarcated. Special attention has been devoted to the anomalous Paschen effect as well as to the avalanche vacuum breakdown mechanism.

British Library Electronic Table of Contents (United Kingdom)

This paper presents a new method of extracting biologic particles from a mixture of particles. The method is based on the pumping effect in a p-shaped ultrasonic actuator, which has a gap between its two vibrating metal plates. An adhesive tape is placed at a proper position in the gap. Due to the pumping effect which is induced by the sound field in the gap, the particles with smaller mass and radius in the mixture can be pumped up to reach the adhesive tape; while the ones with larger mass cannot. Therefore, the particles with smaller mass and radius can be extracted from the mixture. A theoretical model which can well explain the operation principle and experimental phenomena is developed. By the experimental results and the theoretical analyses based on the model, the validity of the m...

British Library Electronic Table of Contents (United Kingdom)

Following Hurricane Katrina, the study of cantilevered sheet pile I-wall with gap or partial gap has become one of the central elements of the ongoing investigation pertaining to the re-building of hurricane protection systems in New Orleans, LA. Historically, the US Army Corps of Engineers (USACE) had mostly relied upon the Method of Planes (MOP) analysis procedure for slope stability analysis of I-wall systems. However MOP is a simplified procedure which does not satisfy total equilibrium. Nevertheless, MOP is still considered by USACE as a popular analysis tool because of its simplicity and ease of use in slope stability analysis. This paper demonstrates the applicability and suitability of MOP as a viable analysis tool for the analysis of New Orleans I-wall founded on layered cohesive ...

Energy Technology Data Exchange (ETDEWEB)

The analysis of oceanographic lidar systems measurements is often carried out with semi-empirical methods, since there is only a rough understanding of the effects of many environmental variables. The development of techniques for interpreting the accuracy of lidar measurements is needed to evaluate the effects of various environmental situations, as well as of different experimental geometric configurations and boundary conditions. A Monte Carlo simulation model represents a tool that is particularly well suited for answering these important questions. The PREMAR-2F Monte Carlo code has been developed taking into account the main molecular and non-molecular components of the marine environment. The laser radiation interaction processes of diffusion, re-emission, refraction and absorption are treated. In particular are considered: the Rayleigh elastic scattering, produced by atoms and molecules with small dimensions with respect to the laser ...

Norwegian Open Research Archives (NORA)

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UK PubMed Central (United Kingdom)

The effect of TP (triosephosphates:glyceraldehyde-3 phosphate, GAP, +dihydroxyacetone phosphate, DHAP) on respiration, phosphorylation and matrix ATP/ADP ratios of isolated oat mesophyll mitochondria...Full Text Available

International Nuclear Information System (INIS)

We compare experimental data for temperature dependence of the magnetic order parameter and the magnetic excitations (spin waves) in materials with a quenched orbital moment and a well-defined spin quantum number. It is observed that the thermal decrease of the two quantities proceeds according to the same analytical function of the type y(T)=1-cT"#epsilon# with an identical exponent #epsilon#. This power function applies not only asymptotically for T->0 but holds over a wide temperature range. The exponent #epsilon# is universal, i.e. independent of spin order type and lattice symmetry and depends only on the dimensionality of the relevant interactions and on whether the spin quantum number is integer or half-integer. The different T"#epsilon# functions are identified as representations of stable universality classes. The fact that order parameter and magnetic excitations follow the same T"#epsilon# function shows that the two quantities belong to the same universality class. The ...

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)

We studied the effects of co-doping with Li and Al on the energy gaps of MgB2 by performing point-contact Andreev-reflection spectroscopy (PCAR) in polycrystalline Mg1-x(Al?Li1-?)xB2 samples with x?0.4. Even though the lattice parameters and the critical temperature of the compound simply scale with the effective Al content ?x, irrespective of the Li concentration, the energy gaps do not. In particular, for a given effective Al content, the comparison with Mg1-y(Al)yB2 with y = ?x shows that the ? bandgap is practically the same while the ? bandgap is higher. A clear gap merging is observed in the most doped sample (x = 0.4) when Tc<20 K. The results are discussed within the two-band Eliashberg theory and compared to the outcomes of first-principles calculations of the effects of Li and Al co-doping on the electronic structure of magnesium diboride.

International Nuclear Information System (INIS)

The natural convection characteristics of gas in a vertical narrow annular gap which had its bottom opened to high temperature fluid and its upper shielding exposed to low temperature sealant have been evaluated from simulated fluid experiments using water and from calculations using the three-dimensional thermal hydraulic analysis computer code THERVIS-III. The following results were obtained: (1) The critical Rayleigh number which represented the limit of convection generation increased as the aspect ratios #epsilon#_1 (height/circumference) and #epsilon#_2 (height/gap distance) increased. (2) The flow pattern along the circumferential direction was seen to depend more strongly on the radiant heat from the side wall, rather than the aspect ratios #epsilon#_1 and #epsilon#_2. (3) The temperature difference along the circumferential direction in the annular gap obtained from the calculation code coincided with that obtained ...

Science.gov (United States)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

Energy Technology Data Exchange (ETDEWEB)

The method of double microwave--radio-frequency resonance has been used to obtain spectra of the 2/sub 11/reverse arrow2/sub 12/ and 3/sub 21/reverse arrow3/sub 22/ transitions in HCOOD, DCOOH, and HCOOH molecules. The constants of the quadrupole bond of the deuterons have been determined, magnetic interactions being taken into acocunt. A comparison with results of previous studies is given.

Science.gov (United States)

... Research on development of combustible cartridge cases for small arms was conducted in Germany during World War II. ...

International Nuclear Information System (INIS)

Experiments are described on a plasma cathode with biased grids to prevent entry of ions into the electron extraction gap. The cathode has potential applications to the generation of high-current pulsed electron beams. Operation at 20 A/cm"2 is theoretically possible. The source combines the low average power consumption of a plasma cathode with many of the attractive features of thermionic cathodes, such as space-charge-limited extractor gap electron flow, fast turn-on, and no diode closure. Initial experiments are reported at the 2 A/cm"2 level for pulse lengths to 160 #mu#s.

International Nuclear Information System (INIS)

The Gamma Physics (GaP) program of physical phenomena investigation is proposed on #gamma#p, #gamma#e and #gamma##gamma# colliders at TeV energies. The program contains specialized software (CompHEP system) created for automation of particle interaction processes calculations in the framework of various gauge models. Preliminary physical results are presented (heavy quark production, W, Z production, supersymmetry etc.), and further software development is suggested. (R.P.) 22 refs., 8 figs., 4 tabs.

International Nuclear Information System (INIS)

Hitherto in this laboratory, ionization coefficients alpha and attachment coefficients #eta# have been determined from Townsend's discharge experiments by a curve-fitting method. However, the method proved to be laborious, Formulae have been derived in this paper to give value of alpha and #eta# as a function of Isubo, Isub1 and Isub2 where Isubo is the photoelectric current at a gap setting d and Isub2 the current at another gap setting 2 d. The values of alpha and #eta# obtained give currents in agreement to within 3% in the best cases with the observed currents.

Energy Technology Data Exchange (ETDEWEB)

The dispersion curves E(k-bar) have been calculated for bound and resonant (110) surface states of AlSb, AlAs, and AlP. AlSb is predicted to have no surface states within the bulk fundamental band gap, but AlAs and AlP are predicted to have surface state band minima which are very near the conduction band edge, and could lie either within the gap or immediately above the edge.

Energy Technology Data Exchange (ETDEWEB)

Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first enzyme in the biosynthetic pathway of the branched-chain amino acids. It catalyzes the conversion of two molecules of pyruvate into 2-acetolactate or one molecule of pyruvate and one molecule of 2-ketobutyrate into 2-aceto-2-hydroxybutyrate. AHAS requires the cofactors thiamine diphosphate (ThDP), Mg{sup 2+} and FAD for activity. The herbicides that target this enzyme are effective in protecting a broad range of crops from weed species. However, resistance in the field is now a serious problem worldwide. To address this, two new sulfonylureas, monosulfuron and monosulfuron ester, have been developed as commercial herbicides in China. These molecules differ from the traditional sulfonylureas in that the heterocyclic ring attached to the nitrogen atom of the sulfonylurea bridge is monosubstituted rather than disubstituted. The structures of these ...

Energy Technology Data Exchange (ETDEWEB)

We summarize the results of point-contact Andreev-reflection (PCAR) spectroscopy in MgB{sub 2} doped by chemical substitutions, either magnetic (Mn) or non-magnetic (Al,C), obtained by us and by other groups in the last four years. Despite the variety of samples used (crystals and polycrystals of various origin) and some minor differences in the experimental techniques, these measurements have directly provided a complete and consistent picture of the effects of chemical substitutions on the gaps of MgB{sub 2} shedding light on other relevant parameters (scattering rates, DOSs) affected by doping. In Al-doped crystals and polycrystals, the gap amplitudes {delta}{sub {sigma}} and {delta}{sub {pi}} - obtained through a two-band Blonder-Tinkham-Klapwijk (BTK) fit of the Andreev-reflection conductance curves - decrease on increasing the Al content x (i.e. on decreasing the critical temperature of the contacts T{sub c}{sup A}), but remain clearly ...

International Nuclear Information System (INIS)

In summary, a scaling analysis of a water-cooled Reactor Cavity Cooling System (RCCS) system was performed based on generic information on the RCCS design of PBMR. The analysis demonstrates that the water-cooled RCCS can be simulated at the ANL NSTF facility at a prototypic scale in the lateral direction and about half scale in the vertical direction. Because, by necessity, the scaling is based on a number of approximations, and because no analytical information is available on the performance of a reference water-cooled RCCS, the scaling analysis presented here needs to be 'validated' by analysis of the steady state and transient performance of a reference water-cooled RCCS design. The analysis of the RCCS performance by CFD and system codes presents a number of challenges including: strong 3-D effects in the cavity and the RCCS tubes; simulation of turbulence in flows characterized by natural circulation, high Rayleigh numbers and low Reynolds numbers; validity of heat transfer ...

Science.gov (United States)

Pentaerythritol tetranitrate (PETN) is a relatively sensitive explosive used in many electroexplosive devices as well as in medicine. Of primary interest to LLNL is its use in items such as exploding bridgewire (EBW) detonators and exploding bridge foil initiators (EFI). In these devices the crystalline powder is pressed into a granular, low-density compact that can be initiated by an exploding wire or foil. The long-term stability of this pressed compact is of interest to weapon stockpile lifetime prediction studies. Key points about potential aging mechanisms can be summarized as follows: (1) There are a number of factors that can contribute to PETN instability. These include particle size, polymorphic phase transitions, crystal structure, impurities, moisture, occlusions, chemical incompatibility and biological (microorganism) action. of these factors the most important for long-term aging of high surface area powders used in detonators appears to be that of particle size growth. ...

International Nuclear Information System (INIS)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10"0 with primary energies between 200 eV and 15 keV. The energy resolution #DELTA#E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H_2"+ and 4430 eV N_2"+ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths. (orig.).

British Library Electronic Table of Contents (United Kingdom)

The cephalosporin class antibacterial agent, cefazolin, was intercalated into layered double hydroxides (LDHs) in order to improve the drug efficiency as well as to achieve the controlled release property. Cefazolin molecules were incorporated into LDH through conventional ion exchange reaction. X-ray diffraction pattern analyses confirmed that cefazolin molecules were intercalated between the interlayer spaces of LDH. Fourier-transform infrared spectra and high performance liquid chromatographs clearly showed that the drug molecules were stabilized in LDH lattice through electrostatic interaction and released without any changes in their chemical integrity. Antibacterial activity of the cefazolin-LDH nanohybrid was also examined by an in vitro test, such as the minimal inhibitory concentr...

International Nuclear Information System (INIS)

Pulse radiolysis studies of the formation kinetics and the yields of various phenylcarbenium ions from several different solutes in 1,2-dichloroethane solution have been carried out. The results indicate that there are two kinetically distinguishable cationic species of the solvent which react selectively with the different solutes to form the phenylcarbenium ions. It is suggested that one is a cation radical (yield 0.68 molecule/100 eV) and the other a carbocation (yield 0.20 molecule/100 eV). Rate constants for their separate reactions with selected aromatic compounds and with ammonia have been determined. Molar extinction coefficients have been estimated for benzyl cation, diphenyl cation radical, and anthracene cation radical. 6 figures, 1 table.

International Nuclear Information System (INIS)

The magnetic hyperfine constants of the V sub(K) center in CaF_2, SrF_2 and BaF_2 have been calculated, assuming a phenomenological model, based on the F"-_2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author).

International Nuclear Information System (INIS)

Full text: Pigments possessing the ability to confer high solar reflectance have received considerable attention in recent years. The inorganic class of NIR reflective pigments are mainly metal oxides and are primarily employed in two applications: (i) visual camouflage and (ii) reducing heat build up. More than half of the solar radiation consists of near-infrared radiation (52%), the remaining being 43% visible light and 5% ultraviolet radiation. Over heating due to solar radiation negatively affects comfort in the built environment and contributes substantially to electrical consumption for air conditioning and release of green house gases. A pigment which has strong reflections in the NIR region (780-2500 nm) can be referred to as a 'cool' pigment. However, most of the NIR reflective inorganic pigments particularly yellow (eg. cadmium yellow, lead chromate, chrome titanate yellow etc.) contain toxic metals and hence their consumption is being limited. Replacing them with ...

UK PubMed Central (United Kingdom)

Spin-lattice relaxation rates of protein and water protons in dry and hydrated immobilized bovine serum albumin were measured in the range of ¹H Larmor frequency from 10 kHz to 30...Full Text Available

UK PubMed Central (United Kingdom)

We describe a novel ¹³C enriched precursor molecule, sodium 1-¹³C acetylenedicarboxylate, which after hydrogenation by PASADE-NA (Parahydrogen and Synthesis Allows Dramatically...Full Text Available

UK PubMed Central (United Kingdom)

The effect of Escherichia coli lipopolysaccharide (LPS) on the expression of major histocompatibility complex (MHC) class II molecules by bovine mammary macrophages was examined. The ability of LPS-treated...Full Text Available

Science.gov (United States)

Trace gas molecules absorb specific wavelengths of incoming solar ... These data(with information collected from similar experiments carried on balloons, rockets, ... The ATMOS sensor instrumentis a state-of-the-art version of a 19th century ...

UK PubMed Central (United Kingdom)

Interactions between presynaptic and postsynaptic cellular adhesion molecules (CAMs) drive synapse maturation during development. These trans-synaptic interactions are regulated by alternative splicing...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYThe cytolytic activity of natural killer (NK) cells is regulated by inhibitory receptors that detect the absence of self molecules on target cells. Structural studies of...Full Text Available

UK PubMed Central (United Kingdom)

On rod disc membranes, single photoactivated rhodopsin (R*) molecules catalytically activate many copies of the G-protein (Gt), which in turn binds and activates the effector (phosphodiesterase). We...Full Text Available

UK PubMed Central (United Kingdom)

Nucleic acids are molecules of choice for both established and emerging nanoscale technologies. These technologies benefit from large functional densities of ‘DNA processing elements’...Full Text Available

UK PubMed Central (United Kingdom)

The objective of this study was to determine if inflammatory tolerance and enhancement of innate immune function could be induced by the gram-positive cell wall component peptidoglycan (PGN)....Full Text Available

UK PubMed Central (United Kingdom)

BackgroundGene promoters can be in various epigenetic states and undergo interactions with many molecules in a highly transient, probabilistic and combinatorial way, resulting in...Full Text Available

UK PubMed Central (United Kingdom)

The bulk alignment of actin filament sliding movement, powered by randomly oriented myosin molecules, has been observed and studied using an in vitro motility assay. The well established,...Full Text Available

UK PubMed Central (United Kingdom)

Microglia provide immune surveillance for the brain through both the removal of cellular debris and protection against infection by microorganisms and “foreign” molecules. Upon...Full Text Available

UK PubMed Central (United Kingdom)

E-cadherin is the primary cell adhesion molecule within the epithelium, and loss of this protein is associated with a more aggressive tumour phenotype and poorer patient prognosis in many cancers. Loss...Full Text Available

UK PubMed Central (United Kingdom)

In regions of high bone loading, the mechanoresponsive osteocytes inhibit osteoclastic bone resorption by producing signaling molecules. One possible candidate is matrix extracellular phosphoglycoprotein...Full Text Available

UK PubMed Central (United Kingdom)

The nicotinic acetylcholine receptor (AChR) controls signal transmission between cells in the nervous system. Abused drugs such as cocaine inhibit this receptor. Transient kinetic investigations indicate...Full Text Available

UK PubMed Central (United Kingdom)

Supercoiled double-stranded DNA molecules (plasmids) were isolated from plants infected with three laboratory strains of western aster yellows mycoplasma-like organism (AY-MLO) by using cesium chloride-ethidium...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Progress is reported in the following subject areas: (1) chemistry of the arogenate molecule; (2) plant enzymology at the organismal level; (3) isolation of regulatory mutants in tobacco; and (4) stability of the haploid state in Nicotiana sylvestris.

UK PubMed Central (United Kingdom)

The binding of amphiphilic molecules to lipid bilayers is followed by ¹⁹F NMR using chemical shift and line shape differences between the solution and membrane-tethered states of...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Explosives molecules have a number of unique properties. These properties are discussed. They include low vapor pressures, electronegativity, ''stickiness,'' frangibility, and thermal instability. The program for developing an advanced explosives detector is described.

UK PubMed Central (United Kingdom)

Myocarditis, often initiated by viral infection, may progress to autoimmune inflammatory heart disease, dilated cardiomyopathy and heart failure. Although cardiac myosin is a dominant autoantigen...Full Text Available

UK PubMed Central (United Kingdom)

The malaria parasite Plasmodium falciparum utilizes molecules present on the surface of uninfected red blood cells (RBC) for rosette formation, and a dependency on ABO antigens has...Full Text Available

UK PubMed Central (United Kingdom)

Tetherin (BST2/CD317) has been recently recognized as a potent interferon-induced antiviral molecule that inhibits the release of diverse mammalian enveloped virus particles from infected cells. By...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundNormal and pathological processes entail the production of oxidative substances that can damage biological molecules and harm physiological functions. Organisms have evolved...Full Text Available

UK PubMed Central (United Kingdom)

Functionalizing of single molecules on surfaces has manifested great potential for bottom-up construction of complex devices on a molecular scale. We discuss the growth mechanism for the initial layers...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments or the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

Energy Technology Data Exchange (ETDEWEB)

Two new surfactant molecules are reported which contain thermally labile Diels-Alder adducts connecting the polar and non-polar sections of each molecule. The two surfactants possess identical non-polar dodecyl tail segments but exhibit different polar headgroups. The surfactants become soluble in water when anionic salts are formed through the deprotonation of the surfactant headgroups by the addition of potassium hydroxide. When either surfactant is exposed to temperature above about 60.degree. C., the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments and the aqueous solutions of the surfactants subsequently exhibit loss of all surface-active behavior.

International Nuclear Information System (INIS)

Recent developments in the analysis of Mira atmosphere, the determination of the pulsation mode, the problem of mass loss, and the evolution of the Mira variables are covered. Model atmospheres for Mira variables, including the opacities of the molecules expected in very late M-type atmospheres are discussed. The pulsation constant for Omicron Ceti is evaluated using T(eff) = 2900 + or - 200 K, and it is concluded that Miras are fundamental mode pulsators. The importance of molecular opacity to the driving of mass loss is evaluated, and it is pointed out that the radiation pressure on molecules is not a major factor in driving mass loss from Mira. Mass loss is considered as a factor in the calculations of the periods for Mira variables. 30 refs.

Energy Technology Data Exchange (ETDEWEB)

We present recent results obtained in the Toulouse's group that deal with proton to base and nucleoside interactions. We stress the weakness of the sugar part in the nucleoside, i.e. the uridine molecule under scrutiny. Since some parts of the fragmentation spectrum correspond to the fragmentation of a 'pure' uracil molecule, i.e. the RNA base, an 'additivity rule' seems to prevail for the nucleoside, something that still has to be confirmed. Moreover, some results that deal with the secondary electronic emission from uracil are also displayed.

British Library Electronic Table of Contents (United Kingdom)

The total area (s m) of Voronoi-Dirichlet polyhedron faces corresponding to all intermolecular contacts of one molecule in the structure of crystals and the total volume of pyramids (V m) built on such faces and containing the nuclei of atoms participating in intermolecular contacts in their vertices were determined for 19 unsaturated hydrocarbons. The differential molar heat of adsorption of the hydrocarbons on graphitized thermal carbon black was found to be linearly related to the s m or V m integral parameters of their Voronoi-Dirichlet polyhedra. Aromatic hydrocarbons on the one hand and saturated hydrocarbons, olefins, and acetylene on the other are characterized by different dependences because of the special shapes of their molecular Voronoi-Dirichlet polyhedra.

British Library Electronic Table of Contents (United Kingdom)

Resonant scattering of atoms with formation of the Feshbach resonance in the presence of a laser radiation coupling the levels of two bound atoms (a molecule) is considered. The laser field leads to a second resonance in scattering and broadening of resonances, which facilitates the possibility of experimental observation of asymmetry of the total scattering cross-section arising because of interference between resonant and potential scatterings. The effects associated with interference of the two channels of decay of a bound system of two atoms (a molecule) in the laser field are studied. An expression is obtained for the scattering length in collision of two cold atoms in the field of laser radiation.

Energy Technology Data Exchange (ETDEWEB)

The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

Science.gov (United States)

The interaction between N-donor adsorbates such as ammonia and pyridine with Cu(II)-exchanged montmorillonite, beidellite, flourohectorite into smectite clays has been studied by electron spin resonance. Cu(II) cations exchanged into smectites coordinate five ammonia or pyridine molecules in beidellite, four ammonia of pyridine molecules in hydroxyhectorite. Thus, the Cu(II) cations bound to the interior surfaces of these smectite clays constitute strong Lewis acid sites. 26 refs., 7 figs., 1 tab.

International Nuclear Information System (INIS)

The far infrared free electron laser (FEL) has been being developed since 1990 using the L-band electron linac at the Institute of Scientific and Industrial Research, Osaka University. The first lasing was obtained in 1994 at wavelengths from 32 to 40 #mu#m. The FEL is now being modified suitable for user experiments. The wiggler with a fixed magnet gap used in the original FEL has been remodeled to make the magnet gap variable. In order to optimize the variable range of the gap, the gain and the diffraction loss were calculated. The peak gain is calculated to be 270% and the diffraction loss to be 22% at 150 #mu#m. The wavelength is expected to be variable from 25 up to at least 150 #mu#m. The two bending magnets in the optical resonator have been remodeled and the vacuum chambers with larger vertical sizes for them have been newly made so that the diffraction loss in these parts becomes smaller than that in the vacuum ...

Energy Technology Data Exchange (ETDEWEB)

Using the transfer matrix method we calculate the omni-directional band gap of a 1-D photonic crystal consisting of alternating layers of two dielectric materials A and B with refractive index n{sub A} and n{sub B}, respectively. The refractive index of layer A is constant and the refractive index of layer B varies according to the envelope of a Gaussian function. We find that under certain circumstances it is possible to obtain 100% reflectivity for both polarizations and any value of the incident angle of the electromagnetic waves. Although the structure considered does not posses a higher omni-directional band gap than the periodic sequence of low and high constant refractive indexes, it can be used to produce a new type of omni-directional mirrors without abrupt interfaces. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Science.gov (United States)

... FL, April 18-20, 2006 Using Advanced Computer Vision Algorithms on Small Mobile Robots G. Koguta,F. Birchmoreb,E ...

Science.gov (United States)

... Program: Quallion Matrix Design (small cells) - Investigate the feasibly of a hybrid battery matrix composed of small D-sized cells for use in HEVs ...

Medline Plus

... for a stapling or division of tissue the creation of a small gastric pouch which then assists ... follow up. Laparoscopic gastric bypass entails the surgical creation of a small gastric pouch, typically about an ...

International Nuclear Information System (INIS)

The Bragg-curve detector of the parallel plate ionization chamber type generates a signal that is a distorted replica of the original Bragg-curve. In result of this distortion, the signal peak height is not only a function of the atomic number of the heavy ion, as it is often stated, but also of the particle mass. This mass effect was studied with the aid of computer simulation, and it was found to be dependent on the Frisch grid to anode gap width and on the detector gas. The charge resolution of the detector is affected very significantly by this mass dependence of the signal peak height. Therefore, a careful selection of the detector gas and the grid to anode gap width is necessary, if good charge resolution over a wide range of heavy ions is required. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Purpose - The service-dominant (S-D) logic views supply chains as value co-creation networks. These networks promote knowledge growth amongst network members via resource deployment and coordination. The exchange of knowledge and utilization of operant resources among the network members leads to co-created service offerings and value proposals for the end-users, with the ultimate goal of transforming end-user experiences to perceptions of superior value-in-use. The purpose of this paper is to develop an illustration of the value co-creation concept and use this illustration as guide to examine the research gaps that are yet to be tapped in the area where supply chain networks and S-D logic intersects. Design/methodology/approach - The literature on S-D logic is reviewed and research gaps ...

International Nuclear Information System (INIS)

Morphology of castellated Be tiles from the belt limiter exposed to the JET plasma for 56,000 s was examined on both sides of castellated grooves, on plasma-facing and side surfaces of the tiles. The essential results are (i) deuterium retention in the castellated grooves and in other locations is associated with co-deposition of carbon; (ii) the decay length of deposition in the castellation is around 1.5 mm; (iii) no deuterium is detected in bulk Be; (iv) bridging of gaps by molten beryllium occurred but gaps were not filled with Be; (v) on side surfaces of the tiles the formation of BeO layer was detected at a distance of 20 mm and more from the plasma-facing surface. The consequences for a long-term operation of a reactor-class device with several different plasma-facing materials are addressed.

International Nuclear Information System (INIS)

Efficient, low-temperature conversion of infrared light into visible light (red, orange, green) is reported at single heterojunctions and undoped quantum wells of GaAs and ordered Al_xGa_1_-_xInP_2; an increase in photon energy of 700 meV is obtained. The signal originates from the high-band-gap layers and disappears only if the excitation energy is tuned below the GaAs band gap. The intensity of the up-converted photoluminescence (PL) is found to decrease significantly slower with increasing temperature than that of the regular PL and it remains observable up to 200 K. Interface-induced cold Auger processes along with the presence of trapped states for both electrons and holes in these ordered alloys account for this nonlinear mechanism. A colinear double-beam experiment confirms this. copyright 1996 The American Physical Society.

Energy Technology Data Exchange (ETDEWEB)

The IEA has identified energy efficiency as essential to achieving a sustainable energy future. In order to improve energy efficiency in industry one of the priority areas for further action is the promotion of more and higher quality energy management (EM) activity. However, there are significant gaps in the current implementation of EM. One method of bridging these gaps would be the creation of an EM Action NetworK (EMAK) to bring practical support to energy managers, connect energy managers to energy policy makers, and interconnect these networks globally. The paper describes possible aims, activities, scope, structure, timelines and approaches related to EMAK and looks at specific tasks that would be important in the set-up and implementation.

International Nuclear Information System (INIS)

The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir_3Si_5 is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru_2Si_3, Os_2Si_3, and OsSi_2.

Environmental Research Database

Objectives1. To establish the present capacity and capability across all the sectors within the UK for - a) Undertaking research in the areas of toxicology and ecotoxicology and environmental hazard and risk assessment work on chemical subtances including emerging containments (e.g. enginerred nanomaterials); and b) Applying these skills in the policy and regulatory context. 2) The range of chemicals involved should include pharmaceutical and medical products, crop protection agents, biocides, vet [continued...]DescriptionThe aim of this project is to identify the current status of the scientific community, areas of expertise, and identify the gaps in skills, knowledge or recruitment. The project will use a questionnaire approach to obtain this information for all sectors of the business community. The analysis will identify the gaps in provision, and areas where investment is needed in future training and/or recruitment.

British Library Electronic Table of Contents (United Kingdom)

Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

Science.gov (United States)

PMID:20113698

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Short communication.

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

A small cable yarding system for accumulations of slash on forested land and overstocked non-productive stands is described.

KoreaScience (Korea)

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International Science & Technology Center (ISTC)

Development, Investigation and Improvement of a System of Incinerating Crop Production Wastes in Small Capacity Boilers

Science.gov (United States)

... Descriptors : *COMBUSTIBLE CARTRIDGE CASES, STYPHNATES, PHYSICAL PROPERTIES, TENSILE PROPERTIES, PRIMERS ...

KoreaScience (Korea)

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International Nuclear Information System (INIS)

Based on proposed models for the tidal spin-up and magnetic braking of stars with a convective outer envelope, it is suggested that the rotation of secondaries in cataclysmic variables is not necessarily synchronized with the orbital revolution. This may provide an explanation for the observed large range in the mass transfer rate (at the same orbital period) of cataclysmic variables above the period gap. (author).

International Nuclear Information System (INIS)

The correlation between superconductivity and structural transformation in the A-15 compounds are examined in a unified way on the basis of the Gor'kov three-dimensional model and the anisotropic pairing interaction. The temperature dependence of the elastic modulus, the strain order parameter and the energy gaps of superconductivity are obtained and compared with the experimental data. (auth.).

Energy Technology Data Exchange (ETDEWEB)

A review of fission product yields and delayed neutron data for Np-237, Pu-242, Am-242m, Am-243, Cm-243 and Cm-245 has been undertaken. Gaps in understanding and inconsistencies in existing data were identified and priority areas for further experimental, theoretical and evaluation investigation detailed. (author)

UK PubMed Central (United Kingdom)

We demonstrate that expression of the UGA1, CAN1, GAP1, PUT1, PUT2, PUT4, and DAL4 genes is sensitive to nitrogen catabolite repression. The expression of all these genes, with the exception of UGA1...Full Text Available

International Nuclear Information System (INIS)

Photonic band gap structures with single or multiple defects show potential for use in single-beam and multi-beam klystrons and particle accelerators. The primary concerns are the coupling between the modes at each individual defect site and the damping of unwanted higher order modes. A conceptual design of a PBG based, multi-beam klystron and methods to damp HOMs and to cool and tune the structure are presented.

Energy Technology Data Exchange (ETDEWEB)

Experimentally it is found that at constant temperature the order-parameter relaxation time, tausub(..delta..), decreases with increasing power of the microwaves, coupled into a superconducting strip. If the same increase in critical current, that corresponds with a given power of the microwaves, is obtained by lowering the temperature, the decrease in tausub(..delta..) is smaller. This reflects the fact that quasiparticles are removed more efficiently from the gap edge by microwaves than by lowering the temperature in equilibrium. A modified time-dependent Ginzburg-Landau equation is shown to describe these results adequately.

Wastenet

... (restricted)] 2009, Volume 39, Issue 5 523-529 Parents, peers, or school inputs: Which components of school outcomes are capitalized into house value? by Brasington, David M. & Haurin, Donald R. [Downloadable! (restricted)] 530-541 Trade liberalisation and agglomeration with firm heterogeneity: Forward and backward linkages by Okubo, Toshihiro [Downloadable! (restricted)] 542-552 Alternative measures of homeownership gaps across segregated ...

UK PubMed Central (United Kingdom)

1. Using a grease-gap recording technique we have investigated the effects of some antagonists of P2-purinoceptors on the depolarization of the rat isolated superior cervical ganglion evoked by 100...Full Text Available

International Nuclear Information System (INIS)

The defect-induced electron lifetime and energy-gap anisotropy effects on the T/sub c/ of the A-15 compounds are examined. A self-consistent model calculation demonstrates that the various defect dependences of T/sub c/ can be qualitatively understood in terms of the electron-lifetime effect.