Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.

UK PubMed Central (United Kingdom)

The kinetic parameters of single bonds between neural cell adhesion molecules were determined from atomic force microscope measurements of the forced dissociation of the homophilic protein-protein bonds....Full Text Available

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

British Library Electronic Table of Contents (United Kingdom)

By assuming that not only counter-ions but DNA molecules as well are thermally distributed according to a Boltzmann law, we propose a modified Poisson-Boltzmann equation, at the classical level, as a starting point to compute the effects of quantum fluctuations of the electric field on the interaction among DNA-cation complexes. The latter are modeled here as infinite one-dimensional wires (?-functions). Our goal is to single out such quantum-vacuum-driven interaction from the counterion-induced and water-related interactions. We obtain a universal, frustration-free Casimir-like (codimension 2) interaction that extensive numerical analysis show to be a good candidate to explain the formation and stability of DNA aggregates. Such Casimir energy is computed for a variety of configurations of...

International Nuclear Information System (INIS)

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

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 ...

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)

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

Science.gov (United States)

Lanthanide-ion doped oxide nanoparticles were functionalized for use as fluorescent biological labels. These nanoparticles are synthesized directly in water which facilitates their functionalization, and are very photostable without emission intermittency. Nanoparticles functionalized with guanidinium groups act as artificial toxins and specifically target sodium channels. They are individually detectable in cardiac myocytes, revealing a heterogeneous distribution of sodium channels. Functionalized oxide nanoparticles appear as a novel tool particularly well adapted to long-term single-molecule tracking.

CERN Document Server

The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over many identical hydrated macromolecules running continuously in a single-file train across a continuous X-ray beam, and resolution is then limited only by the available molecular and X-ray fluxes and molecular alignment. Orientation of the diffracting molecules is achieved by laser alignment. We evaluate the incident X-ray fluence (energy/area) required to obtain a given resolution from (1) an analytical model, giving the count rate at the maximum scattering angle for a model protein, (2) explicit simulation of diffraction patterns for a GroEL-GroES protein complex, and (3) the frequency cut off of the transfer function following iterative solution of the phase problem, and reconstruction ...

UK PubMed Central (United Kingdom)

Two integrated hepatitis B virus (HBV) DNA molecules were cloned from two primary hepatocellular carcinomas each containing only a single integration. One integration (C3) contained a single linear...Full Text Available

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 ...

British Library Electronic Table of Contents (United Kingdom)

The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.

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)

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)

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.

International Nuclear Information System (INIS)

Measurements of absolute differential cross sections for H"+-H_2 direct, single-, and double-charge-transfer scattering at 0.5, 1.5, and 5.0 keV are reported at laboratory scattering angles less than 1 degree with an angular resolution of approximately 0.02 degree. The cross sections exhibit deep interference oscillations in single-charge-transfer scattering, but no such oscillations are present in direct and double-charge-transfer scattering. Theoretical cross sections derived using the diatoms-in-molecules method to describe the molecular states in a semiclassical molecular-orbital three-state close-coupling model within a semiclassical framework agree satisfactorily with the experimental results.

International Nuclear Information System (INIS)

... electron guns linear accelerators magnetrons multivibrators pulse generators

Science.gov (United States)

The ability to feed on vertebrate blood has evolved many times in various arthropod clades. Each time this trait evolves, novel solutions to the problem posed by vertebrate hemostasis are generated. Consequently, saliva of blood-feeding arthropods has proven to be a rich source of antihemostatic molecules. Vasodilators include nitrophorins (nitric oxide storage and transport heme proteins), a variety of peptides that mimic endogenous vasodilatory neuropeptides, and proteins that catabolize or sequester endogenous vasoconstrictors. A variety of platelet aggregation inhibitors antagonize platelet responses to wound-generated signals, including ADP, thrombin, and collagen. Anticoagulants disrupt elements of both the intrinsic and extrinsic pathways. Molecular approaches (termed 'sialomics') to characterize the full inventory of mRNAs transcribed in salivary glands have revealed a surprising level of complexity within a single species. Multiple ...

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 ...

CERN Document Server

By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.

International Nuclear Information System (INIS)

Cesium ions (Cs"+) are used for the production of the feed ions necessary to obtain Fourier transform mass spectra (FTMS). The molecule chosen for the initial study of this Cs"+ desorption ionization (DI-FTMS) was vitamin B-12 because of its nonvolatile, thermally labile character. 21 references.

British Library Electronic Table of Contents (United Kingdom)

Biomonitoring requires the application of batteries of different biomarkers, as environmental contaminants induce multiple responses in organisms that are not necessarily correlated. Omic technologies were proposed as an alternative to conventional biomarkers since these techniques quantitatively monitor many biological molecules in a high-throughput manner and thus provide a general appraisal of biological responses altered by exposure to contaminants. As the studies using omic technologies increase, it is becoming clear that any single omic approach may not be sufficient to characterize the complexity of ecosystems. This work aims to provide a preliminary working scheme for the use of combined transcriptomic and proteomic methodologies in environmental biomonitoring. There are difficulti...

Science.gov (United States)

The authors described a method for determination of tissue renin activity with heterologous substrate. The preparation of the substrate was performed at several stages: salting with amonium sulfate; dialisis of the precipitate till complete separation of amonium sulfate molecules; distruction of angiotensinases by interchangeble souring and alcalization of the medium; lyophylization of the pure substrate. The obtained renin-substrate was preserved in ampules and its usage had a series of advantages--duration, economic, a possibility for standartization of the determination, etc., which were described in details in the article. The described in details also the quantitative determination of the renin activity in the tissues (renal and cerebral) with the help of the obtained substrate as the moments, modiied by the authors, were indicated. PMID:436712

Energy Technology Data Exchange (ETDEWEB)

The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

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 ...

Science.gov (United States)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints ...

International Nuclear Information System (INIS)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and is in principle suitable for any flexible molecule. To test the method on three systems of increasing complexity, we used as constraints ...

Energy Technology Data Exchange (ETDEWEB)

The carbon content of silicon single crystals and polycrystals has been measured by charged particle activation analysis (CPAA) and infrared absorption. The authors obtained a linear relationship between the absorption coefficient at 605 cm/sup -1/ and the carbon content obtained by CPAA. They obtained a conversion factor of (1.00 +- 0.03) 10/sup 17//cm/sup 2/ for a 100% substitutional carbon.

CERN Document Server

Motivated by recent experiments on KIF1A, a representative member of single-headed kinesin motor proteins family, we develop a theoretical model of intra-cellular transport by mutually interacting molecular motors. The model explicitly accounts not only for the hydrolysis of ATP, but also for the ratchet mechanism which is believed to drive each individual KIF1A motor. We study the model by a combination of analytical and numerical techniques. A remarkable feature of this model is that all the parameters in it can be completely evaluated from experimental data. Our results in the dilute limit are in excellent quantitative agreement with the empirical data from single molecule experiments. In the high density regime the predictions of the model also agree qualitatively with the corresponding experimental observations. We derive a phase diagram that shows the influence of hydrolysis and Langmuir kinetics on the collective ...

DEFF Research Database (Denmark)

We present a new photonic technology and demonstrate that it allows for precise immobilisation of biomolecules to sensor surfaces. The technology secures spatially controlled molecular immobilisation since immobilisation of each molecule to a support surface can be limited to the focal point of the ultraviolet (UV) beam, as small as a few micrometers. We can immobilise molecules according to any pattern, from classical microarrays to diffraction patterns creating unique watermarking safety patterns. Given that suitable protein markers exists for all relevant diseases it is entirely feasible to test for a range of disease indicators (antigens and other markers) in a single test. Few micrometer spotsize allows for a virtually unlimited number of protein spots in a multipotent microarray. This new technology produces radically new photonics based microarray sensing technology and watermarking and has clear potential for ...

International Nuclear Information System (INIS)

Kaolinite intercalated with potassium acetate is of great interest in the areas of environmental remediation and industrial application; however, its exact atomic structure and the changes which occur when heated have remained largely elusive. Here, neutron pair distribution function analysis is used to investigate the local structural characteristics of this complex material, revealing that hydrated potassium acetate exists as a single layer in the interlamellar spacing of kaolinite. Furthermore, the potassium ions within the intercalated complex are most likely associated with the resonance structure of the acetate molecules, and upon heating (and decomposition of the carbon containing molecules), these ions become strongly associated with the negative charge located on the oxygen atoms in the alumina layers of dehydroxylated kaolinite. Several possible orientations of hydrated potassium acetate within the interlamellar ...

Energy Technology Data Exchange (ETDEWEB)

We report a simple method for the label-free detection of double-stranded DNA using surface-enhanced Raman scattering (SERS). We prepared cetyltrimethylammonium bromide (CTAB)-capped silver nanoparticles and a DNA-nanoparticle complex by adding silver nanoparticles to {lambda}-DNA solutions. In the present study, the utilization of CTAB-capped silver nanoparticles facilitates the electrostatic interaction between DNA molecules and silver nanoparticles; at the same time, the introduction of DNA avoids adding aggregating agent for the formation of nanoparticle aggregates to obtain large enhancement of DNA, because the DNA acts as both the probe molecules and aggregating agent of Ag nanoparticles. Atomic force microscopy (AFM) studies show that the morphology of DNA-Ag nanoparticle complexes seems to be determined by the concentrations of the DNA and the nanoparticles. Surface-enhanced Raman scattering (SERS) studies show that ...

Energy Technology Data Exchange (ETDEWEB)

The authors attemps to confirm a modification of the phase-absprotion method applicable to the study of the decay rate of energy stored in the upper level in the active medium of a CO/sub 2/-laser. The essence of the method is described. Relationships are determined which allow one to obtain the unknown parameters of the experimentally measured phase shift. The work exeprimentally shows the possibility of studying vibratioanl relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method using both ordinary and isotope-substitued molecules.

Science.gov (United States)

We report on the single-particle properties of lanthanide-ion doped oxide nanoparticles. We have demonstrated that their size can be accurately determined from their luminosity. The optically determined size distribution is in very good agreement with the distribution obtained from transmission electron microscopy (TEM). We also showed that the photobleaching of these nanoparticles is related to a reduction process and that we can use it to sense in a concentration-dependent manner the presence of an oxidant like H2O2. Finally, we propose a way to perform nanoparticle-protein coupling and to determine the protein-nanoparticle ratio at the single-particle level.

UK PubMed Central (United Kingdom)

BackgroundObtaining single parasite clones is required for many techniques in malaria research. Cloning by limiting dilution using microscopy-based assessment for parasite growth...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Both solvent extraction and spectrophotometric techniques were used to show the alterations that gamma radiation causes in the behavior of tetracycline molecule as far as its extracting and complexing power are concerned. The effect of gamma radiation on the solid tetracycline molecule, benzyl alcohol and on the solution of both was examined in solvent extraction systems whose aqueous phases were made up by {sup 152} Eu-{sup 154}Eu radioactive tracer solutions and whose organic phases were constituted by tetracycline-benzyl alcohol solutions. Experiments were performed in order to determine whether or not the water used for the pre-saturation of benzyl alcohol would influence the radiolysis of tetracycline. Solvent extraction and spectrophotometry were the techniques used to obtain the necessary data. Absorption spectra of irradiated tetracycline benzyl alcohol solutions submitted to several gamma radiation doses were ...

Science.gov (United States)

We show that the size of a lanthanide-ion doped nanoparticle can be accurately determined from its luminosity. The optically determined size distribution is in very good agreement with the distribution obtained from transmission electron microscopy. These data confirm that single nanoparticles are visualized in microscopy experiments. Nanoparticles as small as 13 nm are detectable with integration times of 500 ms.

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 properties 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 ...

CERN Document Server

The interaction energies between the different types of bases of a single strand of DNA molecule have been calculated. Using these original values of energies the harmonic behavior of a number of base patterns of DNA has been studied. In view of the great interest aroused by the discovery of the role of the telomere segment of the DNA in the replication process and its possible link with the aging process, we have investigated, with simple models, the harmonic behavior of the telomeric pattern of bases as well as the thermodynamic response in the biological system. With these results a conclusion on the probable role of the telomeric pattern on aging has also been drawn. Here the calculated values of harmonic frequencies of the telomeric pattern of bases and of other possible patterns show that the telomeric pattern is associated with the highest vibrational frequency among all patterns of base combinations at the replication end of DNA. This ...

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

Science.gov (United States)

This study addresses the modeling of transdermal diffusion of drugs, to better understand the permeation of molecules through the skin, and especially the stratum corneum, which forms the main permeation barrier of the skin. In transdermal delivery of systemic drugs, the drugs diffuse from a patch placed on the skin through the epidermis to the underlying blood vessels. The epidermis is the outermost layer of the skin and can be further divided into the stratum corneum (SC) and the viable epidermis layers. The SC consists of keratinous cells (corneocytes) embedded in the lipid multi-bilayers of the intercellular space. It is widely accepted that the barrier properties of the skin mostly arises from the ordered structure of the lipid bilayers. The diffusion path, at least for lipophilic molecules, seems to be mainly through the lipid bilayers. Despite the advantages of transdermal drug delivery compared to other drug delivery routes such as oral ...

Energy Technology Data Exchange (ETDEWEB)

Variations in thermal energy costs of single module solar central receiver systems using one, two, three, and four aperture cavity receivers at a location corresponding to Barstow, California are investigated for nominal power ratings ranging from 100 MWt to 900 MWt. Also considered are the effects on energy costs of changes in plant latitude, and the energy cost impact of the replacement of the single module design with multiple connected modules producing the same thermal power. The results, obtained with the aid of the DELSOL2 computer program, indicate that solar central receiver plant energy costs are insensitive functions of power level, latitude, and configuration. No clear cost of energy advantage between single and multiple modules is seen.

Science.gov (United States)

Proposed future space-based beam weapons systems will most probably require an intense neutral particle beam for effective operation across geomagnetic field lines. Such neutral beams can most efficiently be obtained by stripping excess electrons from negative ion beams. The objective of this work is to study the process of dissociative attachment of electrons. Specifically, to measure the cross sections for polar dissociation and dissociative attachment for production of H(-). It is suspected that these dissociative attachment cross sections for the production of H(-) from alkali hydrides are large. The insight gained from this study will be extremely helpful in the fabrication of high current density H(-) beam sources for use in the production of intense neutral hydrogen beams. A selection of alkali hydride molecules will be investigated in order to determine the largest cross sections for the production of H(-) by electron impact. The ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

Abstract: We report for the selective-area chemical synthesis of semiconductor single-crystal organic nanowires of silver-tetracyanoquinodimethane (Ag-TCNQ). Straight and smooth Ag-TCNQ nanowires can be produced and patterned on micrometer and nanometer scale on silicon substrates covered with a thin layer of Ag film through the reaction of TCNQ and Ag in a simple gas-solid chemical reaction process. Ag-TCNQ nanowires are characterized by UV-vis, IR and Raman spectroscopy, respectively. The Ag-TCNQ nanowires grows preferentially along the [100] direction of strong - stacking of Ag-TCNQ molecules. Nanodevices based on these nanowires are fabricated using focus ion beam (FIB) technique. Electrical properties are characterized and I-V hysteresis is observed, which shows memory effect with electrical switching of three orders on-off ratio. These nanowires could be potential for use in optical storage, ultrahigh-density nanoscale memory and logic ...

Energy Technology Data Exchange (ETDEWEB)

One of the main goals in the determination of three-dimensional macromolecular structures from electron microscope images of individual molecules and complexes (single particles) is a sufficiently high spatial resolution, about 4 A, at which the interpretation with an atomic model becomes possible. To reach high resolution, an iterative refinement procedure using an expectation maximization algorithm is often used that leads to a more accurate alignment of the positional and orientational parameters for each particle. We show here the results of refinement algorithms that use a phase residual, a linear correlation coefficient, or a weighted correlation coefficient to align individual particles. The algorithms were applied to computer-generated data sets that contained projections from model structures, as well as noise. The algorithms show different degrees of over-fitting, especially at high resolution where the signal is weak. We demonstrate ...

International Nuclear Information System (INIS)

The process of infrared multiple photon dissociation (IRMPD) of molecules is of great fundamental importance and has practical significance, such as isotope separation etc. Unfortunately, a clear insight into the process has been hindered by the bewildering array of important variables affecting MPD. The dissociation probability #gamma#(#phi#) i.e. the yield has been found to be a sensitive function of laser fluence #phi# along with numerous other parameters like laser frequency, gas pressure etc. We have shown that in single frequency IRMPD an accurate quantitative characterization of the dissociation probability can be adequately expressed by a 'power law' model with two fitting parameters namely critical fluence, #phi#c and multi photon order, m. This model was exploited in analysing our MPD results on various systems. However, the small isotope shift encountered in heavy elements and the sticking phenomenon observed in small light ...

Energy Technology Data Exchange (ETDEWEB)

The diminishing clean oil reserve is driving the search for new or improved ways to reduce the level of NSO-containing species found in high abundance in heavy crude oils. Hydrotreatment is the currently preferred technique to remove those polar species. Unfortunately, nitrogen-containing compounds cause coke formation on the surface of the hydrotreatment catalyst, leading to partial or complete deactivation. Here, positive- and negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) identify those nitrogen compounds that resist hydrotreatment. ESI preferentially ionizes polar (e.g., heteroatom-containing) species: basic molecules are detected as positive ions and acidic/neutral molecules as negative ions. FT-ICR MS resolves thousands of species in a single mass spectrum, allowing for unambiguous determination of elemental composition, C{sub c}H{sub h}N{sub n}O{sub ...

Energy Technology Data Exchange (ETDEWEB)

The object and the purpose of the present work was to develop, to assemble and to start running a new TOF (time of flight) mass spectrometer for imaging SNMS analytic which is optimized for the analysis of highly molecular secondary ions. The most important purpose was the characterization of the TOF mass spectrometer. The obtained mass spectra of indium, tantalum and silver clusters reflect the excellent properties of the TOF mass spectrometer for the detection of large clusters with good detection efficiency up to masses of 16000 amu. The possibility of the deflection of selected saturated atom and cluster peaks serves for further improvement of the detection efficiency for large molecules. The accessible mass resolution was determined to be of the order of m/{delta}m=1000 in the high mass region. Numerous measurements were carried out to characterize the useful yield of this spectrometer. For a best possible adaptation of the TOF mass ...

British Library Electronic Table of Contents (United Kingdom)

The thermal stability of nanoscale grains in cryomilled aluminum powders containing 1% diamantane was investigated. Diamantane is a diamondoid molecule consisting of 14 carbon atoms in a diamond cubic structure that is terminated by hydrogen atoms. The nanostructures of the resulting cryomilled powders were characterized using both transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques. The average grain size was found to be on the order of 22?nm, a value similar to that obtained for cryomilled Al without diamantane. To determine thermal stability, the powders were heated in an inert gas atmosphere at constant temperatures between 423 and 773?K (0.51T m to 0.83T m) for exposure times of up to 10?h. The average grain size for all powders containing diamantane was obse...

Science.gov (United States)

The thermal conductivity of liquid CHCl3, C6H6, and CCl4 is measured by a steady-state method under saturated vapor pressure in the temperature regions corresponding to pre-crystallization temperatures. The experimental results obtained are used to investigate the isobaric thermal conductivity jump ??p at the crystal-liquid phase transition in CHCl3, C6H6, and CCl4. The contributions of the phonon-phonon and phonon-rotational interaction to the total thermal resistance in solid and liquid state are specified using a modified method of reduced coordinates. The decrease in the thermal conductivity at the crystal-liquid phase transition, ??p, is explained by a combined effect of variations in positional distribution of molecules and in the form of rotational molecular motion.

Energy Technology Data Exchange (ETDEWEB)

A widely used veterinary antibiotic, tetracycline (TC), has been incorporated in Langmuir-Blodgett (LB) films of dipalmitoylphosphatidic acid (DPPA) by means of two different procedures: co-transfer and incubation in solution. The resulting structures were characterized by means of contact angle and ellipsometric measurements. The presence of the antibiotic in the phospholipid film was evidenced by means of UV-Vis electronic absorption and infrared vibrational spectroscopy. The two sets of measurements unambiguously indicated the presence of the drug in the LB layer films obtained with both methods, although incubation led to a smaller content of immobilized tetracycline. In both cases, the drug was found to reside in the hydrophilic portion of the layers due to specific interactions of the dimethylamino group of the molecule with the polar head groups of the phospholipid.

International Nuclear Information System (INIS)

Pulsed atomic beams produced in vacuum by laser induced ablation from a lithium target are analyzed by laser induced fluorescence (LIF). The 1-mixing processes induced in the n = 9, 10 Li Rydberg states by collisions with CO_2 molecules illustrate the application of the method. Resolution is limited by the 1 mm diameter of the probe laser beam. Combining LIF and absorption measurements gives n_L_i as a function of time at various distances from the target surface. The investigation of the Li-C0_2 1-mixing process in a heat pipe oven proved impossible due to the high reactivity of Li with C0_2. This problem was solved by renewing the Li atoms at each laser shot. Values obtained for n = 9, n = 10 are k = 17 x 10"-"8 and 15 x 10"-"8 cc/sec, respectively.

Energy Technology Data Exchange (ETDEWEB)

A new fuel-cell electrocatalyst based on highly porous carbonized polyacrylonitrile (PAN) microcellular foam with platinum particles was prepared recently in this laboratory. Its surface morphology, one of the most important aspects of a practical electrocatalyst, has been examined in terms of fractal theory and methods. The fractal dimension of the platinum particles dispersed in porous carbonized PAN foam was determined by using chronometric and rotating-disk-electrode methods in oxygen-saturated solutions. A fractal dimension smaller than 2 was obtained, which was attributed to the partially active nature of the surface of this electrocatalytic material. This value of fractal dimension is also proposed to be considered as a reaction dimension. A reaction dimension smaller than 2 may indicate that not all of the platinum particle surface is accessible to the incoming oxygen molecules.

British Library Electronic Table of Contents (United Kingdom)

Orientational constraints obtained from solid state NMR experiments on anisotropic samples are used here in molecular dynamics (MD) simulations for determining the structure and dynamics of several different membrane-bound molecules. The new MD technique is based on the inclusion of orientation dependent pseudo-forces in the COSMOS-NMR force field. These forces drive molecular rotations and re-orientations in the simulation, such that the motional time-averages of the tensorial NMR properties approach the experimentally measured parameters. The orientational-constraint-driven MD simulations are universally applicable to all NMR interaction tensors, such as chemical shifts, dipolar couplings and quadrupolar interactions. The strategy does not depend on the initial choice of coordinates, and...

International Nuclear Information System (INIS)

The chemical properties of alloys in a given environment are to a large extent governed by the surface composition. Changes of the surface composition during passivation are important features in this respect. Previous studies of single crystal Ni-Mo alloys surfaces have been reported. The aim of this work was to obtain quantitative data, for the natural oxide and the passive films formed on Ni-6% Mo(100) and (110) alloys, using Rutherford backscattering spectroscopy and nuclear reaction analysis. (author).

Energy Technology Data Exchange (ETDEWEB)

The proton momentum distributions of (39)K,(40)Ca and (48)Ca are calculated from the model-independent charge distributions obtained from analyses of electron elastic scattering and muonic atoms, and also from the charge distributions calculated from the single-particle potential method in the framework of the flucton model. The sensitivities of the momentum distribution to different regions of the charge distribution are determined. The analysis is extended to the neutron distributions using the single-particle potential method, and the differences between the proton and neutron momentum distributions are examined. The resulting momentum distribution in the case of (40)Ca is used for analyzing the quasielastic electron scattering.

International Nuclear Information System (INIS)

We calculate the normalized factorial moments of multiplicity distributions through three models for elastic hadron scattering (Chou-Yang, Henzi-Valin and Menon-Pimentel). Connections between the moments and the inelastic overlap function and/or eikonal function are obtained by means of an impact parameter representation for the multiplicity distribution. The predictions are compared with experimental data on factorial moments from both inelastic and non-single-diffractive events. The model results present best agreement with the inelastic events and data favour the model by Henzi and Valin. (author)

Energy Technology Data Exchange (ETDEWEB)

This work presents a study of the {sup 1}P{sup 0} excited states of He that can be reached by absorption of a single photon carrying an energy close to the double ionization threshold (DIT) (79 eV). Above the DIT, these states are the double continuum states; below, they are the double excited states. These two types of states are tightly coupled to the single continuum states with or without excitation of the residual ion He{sup +}, owing to their degeneracy in energy. In a one-photon process, these states can only be formed owing to the electronic correlations in the system which must be well described to obtain quantitative good results. Our study is a part of the work which aims at a united description of all these doubly excited, ionized-excited, and double continuum states. We use the Hyperspherical R-Matrix with Semiclassical Outgoing Waves (HRM-SOW) method, initially dedicated to double photoionization studies. We ...

Science.gov (United States)

We report here results of an application of single-nucleon stripping reactions at high energies (65 MeV/u) in inverse kinematics to obtain spectroscopic factors. From measurements of the partial cross-sections for ground and excited states in residual nuclei formed in one-proton stripping reactions, single particle orbits and occupancies of light nuclei have been studied in the s-d shell. Single proton stripping cross-sections of {sup 25}Al and {sup 26,27,28}P on a Be target have been measured using the S800 spectrograph and the NaI(Tl) array at the NSCL. These results indicate that this technique may provide a general tool for the intermediate energy range analogous to transfer (pick-up) reactions at low-energy.

Science.gov (United States)

This is a continuation of our paper [Liu, M., Wang, K., 2010. Persistence and extinction of a stochastic single-species model under regime switching in a polluted environment, J. Theor. Biol. 264, 934-944]. Taking both white noise and colored noise into account, a stochastic single-species model under regime switching in a polluted environment is studied. Sufficient conditions for extinction, stochastic nonpersistence in the mean, stochastic weak persistence and stochastic permanence are established. The threshold between stochastic weak persistence and extinction is obtained. The results show that a different type of noise has a different effect on the survival results. PMID:20816991

Energy Technology Data Exchange (ETDEWEB)

Since information has been regarded os a physical entity, the field of quantum information theory has blossomed. This brings novel applications, such as quantum computation. This field has attracted the attention of numerous researchers with backgrounds ranging from computer science, mathematics and engineering, to the physical sciences. Thus, we now have an interdisciplinary field where great efforts are being made in order to build devices that should allow for the processing of information at a quantum level, and also in the understanding of the complex structure of some physical processes at a more basic level. This thesis is devoted to the theoretical study of structures at the nanometer-scale, 'nanostructures', through physical processes that mainly involve the solid-state and quantum optics, in order to propose reliable schemes for the processing of quantum information. Initially, the main results of quantum information theory and quantum computation are ...

Energy Technology Data Exchange (ETDEWEB)

The Rotary Mode Core Sample System (RMCSS) is used to obtain stratified samples of the waste deposits in single-shell and double-shell waste tanks at the Hanford Site. The samples are used to characterize the waste in support of ongoing and future waste remediation efforts. Four sampling trucks have been developed to obtain these samples. Truck I was the first in operation and is currently being used to obtain samples where the push mode is appropriate (i.e., no rotation of drill). Truck 2 is similar to truck 1, except for added safety features, and is in operation to obtain samples using either a push mode or rotary drill mode. Trucks 3 and 4 are now being fabricated to be essentially identical to truck 2.

DEFF Research Database (Denmark)

Udgivelsesdato: 1988-Jul

Energy Technology Data Exchange (ETDEWEB)

Six safety initiatives have been identified for accelerating the resolution of waste tank safety issues and closure of unreviewed safety questions. Safety Initiative 5 is to reduce safety and environmental risk from tank leaks. Item d of Safety Initiative 5 is to complete corrosion studies of single-shell tanks to determine failure mechanisms and corrosion control options to minimize further degradation by June 1994. This report has been prepared to fulfill Safety Initiative 5, Item d. The corrosion mechanisms that apply to Hanford Site single-shell tanks are stress corrosion cracking, pitting/crevice corrosion, uniform corrosion, hydrogen embrittlement, and microbiologically influenced corrosion. The corrosion data relevant to the single-shell tanks dates back three decades, when results were obtained from in-situ corrosion coupons in a few single-shell tanks. Since that time there ...

International Nuclear Information System (INIS)

Single-crystalline cadmium selenide nanoparticles were obtained using high-temperature solution phase synthesis (HTSPS) synthesis. X-Ray powder diffraction and transmission electron microscopy were used to confirm the crystallinity and morphology of the resulting nanoparticles. To study the action of CdSe on antioxidant activity, we selected two biotechnological important strains of microalgae: cyanobacteria Spirulina platensis and red microalgae Porphyridium cruentum. In the case of Porphyridium cruentum, the obtained results demonstrated an increase in the productivity. For Spirulina platensis, the presence of the compound in the cultivating medium decreased the productivity of cyanobacteria.

Energy Technology Data Exchange (ETDEWEB)

Electron scattering data have been used to obtain transition charge densities for the low-lying E2 transitions in /sup 88/Sr, /sup 89/Y, and /sup 90/Zr. These charge densities show a characteristic shape indicative of their microscopic constituency, modified by core-polarization effects. A good description of transitions in the even-even nuclei is obtained by using the measured single-particle transitions in /sup 89/Y as effective densities. .ID LV2086 .PG 19 22

British Library Electronic Table of Contents (United Kingdom)

Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV?Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl2?2H2O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl?...

International Nuclear Information System (INIS)

We have developed a photon accumulated laser mass spectrometer that enables us to identify isomers of polychlorinated dibenzo-p-dioxin and polychlorinated dibenzofuran. This system is comprised of a high temperature (230 deg. C) pulsed gas injector (PGI), multimirror multipath system (MMS), and the conventional time-of-flight mass spectrometer. The PGI induces the formation of a choked supersonic jet gas pulse that cools down to a temperature to restrain fragmentation and reduces vibrational and rotational thermal noises. The results suggest that the excited lifetime numbers and fragment dynamics of these species change completely with jet cooling of molecules. The MMS enhances the soft ionization efficiency (by a factor of 1000 over a single path system) through photon accumulation by extending the irradiation duration (to about 40 ns) and volume, and it further minimizes fragmentation by carefully controlling the laser intensity distribution ...

Energy Technology Data Exchange (ETDEWEB)

The discovery of nearly sixty molecules, often unstable or complexes, in the interstellar space has been one of the greatest surprises of contemporary astronomy. We may, indeed, be surprised that molecules having up to 13 atoms might be synthetized in an extremely diluted space and at a very low temperature. That these molecules are, most of all, organic molecules is another astonishing subject, at least for the non-specialist. The interstellar molecule formation is indeed well understood nowadays, at least for the simplest ones. This article takes stock of interstellar chemistry which is essentially an ionic chemistry very different from laboratory chemistry.

Energy Technology Data Exchange (ETDEWEB)

The crystallization dynamics of Nylon 66/Nylon 48 blends, the crystalline/crystalline polymer blend, was analyzed by differential scanning calorimetry (DSC) under isothermal conditions. The equilibrium melting temperature (T{sub m}{sup 0}), crystal growth rate (G) and the nucleation rate (N) depended on both the degree of supercooling ({delta}T) and the blend fraction (phi). The {delta}T/T{sub m}{sup 0} values obtained at the fixed G, which corresponded to the chemical potential different between molecules in the liquid and the crystal states, and the surface free energy parameters evaluated from G and N depended on phi for blends. The results suggested that Nylon 66/Nylon 48 blends are miscible in all blend fractions. The result agrees with the intermolecular interaction parameter ({chi}) obtained from T{sub m}{sup 0} depression. Infrared spectroscopic and X-ray diffraction data indicated that the hydrogen bond became weak ...

International Nuclear Information System (INIS)

Computer simulated small-angle neutron scattering curves of spherical poly disperse extruded unilamellar liposomes from saturated 1,2-diacylphosphatidylcholines in the aqueous phase are evaluated by using a multi shell model, which divides the lipid bilayer of liposomes into the polar head group region, and the nonpolar hydrocarbon region consisting of the chains of methylene groups and of the region of methyl groups. In the each of these regions, the coherent neutron scattering length density is supposed to by homogeneous. The evaluation is based on obtaining of radius of gyration from Kratky-Porod plot of small-angle neutron scattering data in the Guinier region of small scattering vector values. From radii of gyration obtained at several different molar fractions N_D_2_O/(N_D-2_O + N_H_2_O) in the aqueous phase (contrasts) and independent volumetric data, the lipid surface area A_L (or the bilayer thickness d_L) and the number of water ...

British Library Electronic Table of Contents (United Kingdom)

Rice, the world's major staple crop, is a poor source of essential micronutrients, including folates (vitamin B9). We report folate biofortification of rice seeds achieved by overexpressing two Arabidopsis thaliana genes of the pterin and para-aminobenzoate branches of the folate biosynthetic pathway from a single locus. We obtained a maximal enhancement as high as 100 times above wild type, with 100 g of polished raw grains containing up to four times the adult daily folate requirement.

International Nuclear Information System (INIS)

Bone images obtained by single exposure dual energy subtraction with computed radiography, a new image processing method, were evaluated for the detectability of calcification in lung nodules in both phantom and clinical studies. In the phantom study, five simulated nodules containing known and uniformly distributed amounts of calcium hydroxide were placed in a human chest phantom and images were obtained the following five techniques: 1) conventional radiography (CXR), 2) low kV conventional radiography (Low), 3) Fuji computed radiography (FCR), 4) bone images with conventional singles exposure energy subtraction (ES) and 5) bone image with fine single exposure energy subtraction (FES). The detectability of calcification in the simulated nodules was evaluated by six radiologists using ROC analysis and two-way analysis of variance. In the clinical study, images of 42 lung nodules ...

Energy Technology Data Exchange (ETDEWEB)

Superconducting MgB{sub 2} samples were prepared by the sintering of a mixture of fine Mg (or Mg alloy) powder produced by gas-atomization and B powder. The single MgB{sub 2} phase with a superconducting onset temperature of 38 K was obtained by sintering at 1073 K for the pure Mg or AZ31 alloy powders. In the case of AZ31, the superconducting MgB{sub 2} was obtained by sintering at a low temperature of 873 K for 50 h although a long sintering time of 100 h is needed to obtain a single MgB{sub 2} phase for Mg powder. This indicates that the AZ31 alloy enhances a formation rate of superconducting MgB{sub 2} at the low temperature through the formation of the partial melting phase. Thus, the gas-atomized fine Mg or AZ31 alloy powders are useful for preparation of a superconducting MgB{sub 2} and in particular AZ31 alloy is effective for the low temperature fabrication of MgB{sub 2}. ...

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)

This thesis contains the candidate's original work on excitonic structure and energy transfer dynamics of two bacterial antenna complexes as studied using spectral hole-burning spectroscopy. The general introduction is divided into two chapters (1 and 2). Chapter 1 provides background material on photosynthesis and bacterial antenna complexes with emphasis on the two bacterial antenna systems related to the thesis research. Chapter 2 reviews the underlying principles and mechanism of persistent nonphotochemical hole-burning (NPHB) spectroscopy. Relevant energy transfer theories are also discussed. Chapters 3 and 4 are papers by the candidate that have been published. Chapter 3 describes the application of NPHB spectroscopy to the Fenna-Matthews-Olson (FMO) complex from the green sulfur bacterium Prosthecochloris aestuarii; emphasis is on determination of the low energy vibrational structure that is important for understanding the energy transfer process associated within three ...

Energy Technology Data Exchange (ETDEWEB)

The growth power-time curves of a strain of petroleum bacteria, B-2, in various kinds of cultures containing different kinds of carbon sources, glucose, n-tetradecane, n-hexadecane and n-octadecane, and different kinds of microemulsions have been determined by using a 2277 Thermal Activity Monitor. The curves showed a single peak for cultures containing a single carbon source, glucose, and two peaks for cultures containing two kinds of carbon sources, glucose and one of the n-alkanes. The first peak indicated that bacteria grew by consuming glucose and the second peak indicated that bacteria grew by consuming n-alkane. The curves were complex when the bacterium grows in a microemulsion culture. According to a kinetic equation of bacterial growth under limited conditions, the rate constants of bacterial growth were obtained. The results showed that the microemulsion culture was more appropriate to bacteria to grow on ...

Energy Technology Data Exchange (ETDEWEB)

This document reproduces the final project of David San Fabian Ayuso, presented on May 26, 2005, for the obtention of the engineer degree of the Carlos III University of Madrid. A single-phase, isothermal model, including both electron and proton transport, is introduced for the simulation of polymer electrolyte fuel cells (PEM). The model is implemented in the commercial code Fluent 6.0, through the use of UDFs (User Defined Functions). In order to validate the model, a single canal of a PEM monocell is simulated in three dimensions. The obtained result are qualitatively satisfactory. It is observed that it is not essential to solve the current collectors when a monocell is considered (and not a stack). in the present study, the number of nodes is the computational grid appears to be too low in the membrane zone in order to make a complete validation of the model. (Author) 20 refs.

International Nuclear Information System (INIS)

LaPO4 single crystals lightly doped with Er3+, and codoped with Er3+ and Yb3+ have been grown by spontaneous nucleation in a lead phosphate flux. Absorption and luminescence spectra have been measured in the visible and near-IR regions and the excited state dynamics has been studied upon pulsed laser excitation. The obtained results have allowed the evaluation of the effective emission cross-sections around 1.5 ?m, that have been found to be similar to important oxide laser crystals doped with Er3+. Efficient visible upconversion has been observed upon excitation at 980 nm in the codoped crystals. This behaviour is attributed to Yb3+-Er3+ energy transfer processes.

Energy Technology Data Exchange (ETDEWEB)

The interaction of thermal radiation with conduction and convection in thermally developing absorbing, emitting, nongray gas-particulate turbulent suspension flow through a circular tube is investigated. The contribution of thermal radiation is obtained through evaluation of the total hemispherical emittance of the particulate cloud and through evaluation of single band absorptances for molecular gases, modified to account for the interaction with the particles. The governing differential equation is derived as a (nonlinear) energy equation, coupled with integral equations to find the thermal radiation contributions. The energy equation is solved numerically by an implicit finite difference method with an iterative procedure. Qualitative results for Nusselt numbers are shown for a variety and range of parameters, such as optical thickness of particulates and single molecular gas bands, relative gas band position and band ...

International Nuclear Information System (INIS)

In view of no satisfactory mathematical model is presently available for the dose-response curve of immunoradiometric assay, a three parameter model based on single binding site mass action law has been derived. A curve fitting method based on similar principle of linear robust regression was designed and a software was prepared for use on IBM personal computers. Experiments revealed that the model is applicable to a variety of IRMA systems as well as to time-resolved immunofluorometric assay of hAFP. When there was outlier(s) of the calibration curve, the average bias of unknown samples obtained with this method is significantly smaller than methods using four parameter logistic model or four parameter single site mass action model.

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.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Thin films of the protein, lysozyme, have been deposited by the matrix-assisted pulsed laser evaporation (MAPLE) technique. Frozen targets of 0.3-1.0 wt.% lysozyme dissolved in ultrapure water were irradiated by laser light at 355 nm with a fluence of 2 J/cm{sup 2}. The surface quality of the thin lysozyme films of different thickness deposited on 7 mm x 7 mm Si-<1 0 0>-wafers was investigated with scanning electron microscopy and atomic force microscopy. Already at comparatively low thickness, {approx}20 nm, the substrate is covered by intact lysozyme molecules and fragments. The concentration of lysozyme in the ice matrix apparently does not play any significant role for the morphology of the film. The morphology obtained with MAPLE has been compared with results for direct laser irradiation of a pressed lysozyme sample (i.e. pulsed laser deposition (PLD))

Energy Technology Data Exchange (ETDEWEB)

Magnetic fluids (MFs) with a similar narrow size distribution of the iron oxide core were stabilized with lauric acid (MF 1), oleate (MF 2) or, after dialysis in the presence of liposomes, with phospholipid molecules (MF 3 and MF 4, respectively). The hydrodynamic sizes of the MF 1 and MF 3 were half those found for MF 2 and MF 4. The MFs were exposed to inductive heating in an alternating magnetic field at a frequency of 200 kHz and a maximum magnetic field strength of 3.8 kA m{sup -1}. Specific absorption rates (SAR) of 294 {+-} 42 (MF 1), 214 {+-} 16 (MF 2), 297 {+-} 13 (MF 3) and 213 {+-} 6 W g{sup -1} Fe (MF 4) were obtained. The data for MF 2 and MF 4 were identical to those found for the commercially available ferucarbotran. The biomedical relevance of the phospholipid-coated MFs is briefly discussed.

Energy Technology Data Exchange (ETDEWEB)

We numerically constructed elementary phase-correct global quantum gates by using molecular electronic and vibrational states to encode two qubits and implement the Deutsch-Jozsa algorithm. The calculations were based on optimal control theory (OCT). The molecular species we chose were Na{sub 2} and Li{sub 2}. The electronic X{sup 1}{sigma}{sub g}{sup +} and A{sup 1}{sigma}{sub u}{sup +} states were taken as two orthonormalized energy levels of the electronic qubit. The vibrational qubits were those involved in these electronic states. The time duration of the optimized pulses with high fidelity was typically 500-900 fs, which reflects the wavepacket dynamics in electronically ground and excited states. When implementing the Deutsch-Jozsa algorithm by combining these elementary gates, we obtained a maximum probability 83.12% for Li{sub 2} molecule, which indicates that the electronic-vibrational qubits are worse than the vibrational-vibrational ...

Energy Technology Data Exchange (ETDEWEB)

The NiMo sulfide supported on Ketjen Black (KB) was more effective and yielded lighter oil products containing light fractions with their boiling point below 300{degree}C during the two stage liquefaction combining low temperature and high temperature hydrogenation the conventional NiMo/alumina catalyst and FeS2 catalyst. Although the NiMo/alumina yielded increased oil products during the two stage liquefaction, the lighter oil fractions did not increase and the heavier fractions increased mainly. This suggests that the hydrogenation of aromatic rings and successive cleavage of the rings are necessary for producing the light oil, which is derived from the sufficient hydrogenation of aromatic rings using catalysts. For the two stage reaction with NiMo/KB catalyst, it was considered that sufficient hydrogen was directly transferred to coal molecules at the first stage of the low temperature reaction, which promoted the solubilization of coal and the successive ...

Scientific Electronic Library Online (English)

Abstract in english Higher olefins are produced as a by product in a number of refinery processes and are one of the potential raw materials to produce propylene. In the present study, FCC model feed compound was considered to explore the olefin cracking features and options to enhance propylene using 30% SAPO-34 zeolite as catalyst in a micro-reactor. The superior selectivity of propylene (73 wt%) and higher total olefin selectivity was obtained over 30% SAPO-34 catalyst than over Y or ZSM- (more) 5 zeolite catalysts. The thermodynamical constraints were found to be relatively less serious in the case of 1-hexene conversion. Most of the 1-hexene follows a direct cracking pathway to give two propylene molecules, due to weak acid sites and better diffusion opportunities. The higher temperature and short residence time could also suppress the hydrogen transfer reactions. From OPE (olefins performance envelop) the products were classified as ...

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space (dimension 1,778,966; ...

Energy Technology Data Exchange (ETDEWEB)

Pulsed laser deposition (PLD) is known for its capacity to reproduce a target composition on a substrate. The authors have used this deposition technique to produce thin films of transition metal chalcogenides. However, the deposits were always deficient in Te relative to the starting material (composed by a refractory metal (niobium) and a chalcogene (tellurium)). Variations of the interreticular distances have been observed with respect to fluence and substrate temperature. The authors show that spatial composition of the films is determined by a degree of crystallinity of deposit and by the reaction of formation of Te{sub 2} molecule within laser induced plume. Two kinds of deposits have been obtained: Nb{sub 5}Te{sub 4}-type thin films which have a one-dimensional structure and NbTe{sub 2}-type thin films which have a two-dimensional structure. While NbTe{sub 2} films have been realized by sputtering, it is the first time that Nb{sub ...

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)

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)

Location of transmission line faults are traditionally estimated by measuring the apparent impedance from a line terminal to the fault and converting the reactive component of the impedance to line length. None of the methods proposed to date address adequately the problems of fault location on distribution systems that have single or multiphase laterals and/or tapped loads. The research for this dissertation resulted in the development of a technique that estimates the location of a shunt fault on a radial distribution system that has several single and/or multiphase laterals. The technique takes into account load taps and non-homogeneity of the system, and has been tested for its ability to handle single-phase-to-ground, two-phase-to-ground, phase-to-phase and balanced three-phase faults. Computer simulations indicate that the technique is more accurate than the reactive component method. Results from a prototype of the ...

CERN Document Server

Recent high spatial and spectral resolution investigations of the diffuse interstellar medium (ISM) have found significant evidence for small-scale variations in the interstellar gas on scales less than or equal to 1 pc. To better understand the nature of small-scale variations in the ISM, we have used the KPNO WIYN Hydra multi-object spectrograph, which has a mapping advantage over the single-axis, single-scale limitations of studies using high proper motion stars and binary stars, to obtain moderate resolution (~12 km/s) interstellar Na I D absorption spectra of 172 stars toward the double open cluster h and Chi Persei. All of the sightlines toward the 150 stars with spectra that reveal absorption from the Perseus spiral arm show different interstellar Na I D absorption profiles in the Perseus arm gas. Additionally, we have utilized the KPNO Coude Feed spectrograph to obtain high-resolution (~3 km/s) ...

International Nuclear Information System (INIS)

High quality graphene sheets are synthesized through efficient oxidation process followed by rapid thermal expansion and reduction by H2. The number of graphene layers is controlled by tuning the oxidation degree of GOs. The higher the oxidation degree of GOs is getting, the fewer the numbers of graphene layers can be obtained. The material is characterized by elemental analysis, thermo-gravimetric analysis, scanning electron microscopy, atomic force microscopy, transmission electron microscopy and Fourier transform infrared spectroscopies. The obtained graphene sheets with single, triple and quintuplicate layers as anode materials exhibit a high reversible capacity of 1175, 1007, and 842 mA h g-1, respectively, which show that the graphene sheets with fewer layers have higher reversible capacity. -- Graphical abstract: The typical TEM images of the graphene sheets derived from GO3(a), GO2(b) and GO1(c). Display Omitted ...

International Nuclear Information System (INIS)

Measurements have been made of certain parameters relevant to the operation of electron-counting detectors. An experimental chamber consisting of a uniform-field drift tube and a coaxial proportional counter thas been employed to obtain data, at very low drift fields (E/p<0.02 V/cm Torr), on electron mobility and lifetimes in a range of gas mixtures. These mixtures included argon, methane, nitrogen and carbon dioxide. Measurements of single-electron spectra showed that, unexpectedly for the standard gas mixtures employed, useful departure from an exponential spectrum was not possible without the production of cathode secondaries. Although the present studies employed only the counter electrical signal the information obtained should be directly relevant to the operation of practical light-pulse systems. Examples of electron-counting spectra for soft X-rays are shown. (orig.).

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

International Nuclear Information System (INIS)

Fuji computed radiography (FCR) utilizing imaging plates stimulated by a scanning lazer has been developed in Japan and come to be widely available in diagnostic radiology. This system is advantageous because many processed images can be obtained with a single exposure. However, no reports have been published on the exact conditions necessary under which the FCR image processing method will produce improved visibility of pulmonary abnormal shadows on chest radiographs. In this report, chest FCR images obtained from 50 patients were analyzed, and the best practical image processing conditions were determined for each pathological state. Fundamental analysis was also performed for spatial and contrast resolution with FUNK chart and Burger's phantom using various thickness of acryl plate. Ninety processing images per exposure were analyzed, and the best practical conditions were determined. (author).

International Nuclear Information System (INIS)

One of the key issues in safety assessment of high-level nuclear waste disposal is evaluating the effects of uncertainty inherent in radionuclide migration parameter values. In this paper, radionuclide transport parameter values and error variances (uncertainties) from in-situ tracer experiments, carried out in a single fracture at the Aespoe Hard Rock Laboratory (HRL) in Sweden, are identified by solving the inverse problem in a framework of the maximum likelihood theory. From the results, it is found that the parameter value uncertainty caused by a conceptual model of radionuclide migration is greater than that caused by a fluctuation in the observed breakthrough curve data. (author)

Energy Technology Data Exchange (ETDEWEB)

We demonstrate the rapid optical characterization of large numbers of individual metal nanoparticles freely diffusing in colloidal solution by confocal laser spectroscopy. We find that hollow gold nanospheres and solid silver nanoparticles linked with a bifunctional ligand, both designed nanostructures, exhibit significantly higher monodispersity in their Rayleigh and Raman scattering response than randomly aggregated gold and silver nanoparticles. We show that measurements of rotational diffusion timescales allow sizing of particles significantly more reliably than can be obtained using translational diffusion timescales.

Science.gov (United States)

Laser Doppler velocimetry and other photometric techniques are evaluated for measuring the average particle velocity in an ensemble of free-falling particles. The ability to obtain measurements in the presence of a radiant flux as high as 0.6 MW/m/sup 2/ was part of the evaluation. Optically dissimilar particles with diameters ranging from 0.1 mm to 1 mm were used in the study. Experimental results indicate that ensembles of particles do not behave as single isolated particles. The particle motion is dependent on particle volume fraction, and is quite unstable for falls greater than one meter.

Science.gov (United States)

The design of the lead/lag network in a conventional power system stabilizer (PSS) is intended to provide the correct compensation in order to obtain an electrical torque component in phase with the speed variation. It is shown that, for a multimachine system, the conventional design analysis and synthesis tend to oversimplify the system representation and hence the interaction effects. A more rigorous approach is preferred considering four torque (or power) components instead of the conventional single component. Based on modal analysis, the significance of these other components is revealed, the more comprehensive treatment using a generalized multimachine representation is justified and a reliable means for optimizing the PSS parameters is explained.

International Nuclear Information System (INIS)

The fission fragments from spontaneous fission of 252Cf have been measured with the spectrometric and position-sensitive semiconductor pixel detector Medipix2. Fragments are identified by pattern recognition of clusters generated in the Medipix2 pixel matrix sensor upon heavy particle hit. From analysis of cluster area, the distribution of kinetic energy of fission fragments is obtained. Together with a novel USB readout interface, the Medipix2/USB system operates as active nuclear emulsion in single-quantum and on-line tracking mode.

British Library Electronic Table of Contents (United Kingdom)

A method to achieve NMR of dilute samples in the earth's magnetic field by applying para-hydrogen induced polarization is presented. Maximum achievable polarization enhancements were calculated by numerically simulating the experiment and compared to the experimental results and to the thermal equilibrium in the earth's magnetic field. Simultaneous 19F and 1H NMR detection on a sub-milliliter sample of a fluorinated alkyne at millimolar concentration (1018 nuclear spins) was realized with just one single scan. A highly resolved spectrum with a signal/noise ratio higher than 50:1 was obtained without using an auxiliary magnet or any form of radio frequency shielding.

CERN Document Server

We present large field HI-line emission maps obtained with the single-dish Green Bank Telescope centered on the dwarf irregular galaxies Sextans A, NGC 2366, and WLM. We do not detect the extended skirts of emission associated with the galaxies that were reported from Effelsberg observations (Huchtmeier et al. 1981). The ratio of HI at 10^19 atoms cm^-2 to optical extents of these galaxies are instead 2--3, which is normal for this type of galaxy. There is no evidence for a truncation in the HI distribution >/=10^19 atoms cm^-2.

Science.gov (United States)

Effective-index approach is applied for modeling of channel plasmon polaritons (CPPs) propagating in rectangular grooves (trenches) and triangular (V-shaped) grooves in gold, accounting for the main features of CPP guiding and elucidating its underlying physics. The effective indexes of CPP modes along with the corresponding propagation lengths are calculated for different configurations and wavelengths while varying the groove depth. The results obtained allow one to identify the parameter range for realizing the single-mode CPP guiding featuring subwavelength confinement and moderate propagation loss at telecom wavelengths.

CERN Document Server

Based on the exact results obtained by Bethe ansatz, we demonstrate the existence of stable bound pair (BP) wave packet in Bose Hubbard model with arbitrary on-site interaction U. In large-U regime, it is found that an incoming single-particle (SP) can coherently pass through a BP wave packet and leave a coherent shift in the position of it. This suggests a simple scheme for constructing a BP charge qubit to realize a quantum switch, which is capable of controlling the coherent transport of one and only one photon in a one-dimensional waveguide.

International Nuclear Information System (INIS)

Both microstructural graded and homogenous single-phase #alpha#-Sialon is obtained from Si_3N_4 powder for a broad range of compositions of practical interest. Elongated grains of #alpha#-Sialon could be developed in the monophase material by controlled mechanism of nucleation and growth. Tailoring of microstructure was realized through slow transformation reaction from Si_3N_4 to #alpha#-Sialon at lower temperature than sintering temperature when the composition is near the #alpha#-Sialon phase boundary. The mechanical properties are strongly correlated with the microstructure and are enhanced greatly in the optimized Sialon composition. (author)

Energy Technology Data Exchange (ETDEWEB)

The light gain due to S/sub 2/ molecules in a supersonically cooled gas mixture is calculated. The S/sub 2/ molecules formed due to the recombination of the sulfur atoms, and the combustion gas mixture was preheated in a precombustion chamber. Optimal gas flow and nozzle parameters are found which correspond to the highest possible light gain using Cs/sub 2/-Ar and S/sub 2/-Ar gas mixtures. The steady state gas flow in the nozzle was calculated, taking into account the chemical reactions in the one-dimensional approximation. It is shown that the maximum gain values vary in the 0.0001-0.002 range for gas pressures in the precombustion chamber in the range 10-100 atm. The optimal initial relative concentration of Cs/sub 2/ molecules and S/sub 2/ molecules are given. 32 references.

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)

Studies of various established human bladder and renal carcinoma cell lines cultured in vitro demonstrated the presence of specific, saturable, high affinity binding sites for /sup 125/I-labeled human interferon Beta ser IFN-beta ser). This recombinant produced interferon labeled with approximately one atom of /sup 125/I/molecule of IFN expressed minimal or no loss of antiviral activity. A single class of binding sites (1000-2000/cell) with an affinity constant of 10(10)-10(11) L/M was measured at 4 degrees C for cells exhibiting widely different sensitivity to the antiproliferative effect of IFN-beta ser. Major fluctuations in the binding of /sup 125/I-labeled IFN-beta ser to cellular receptors were observed during in vitro proliferation of four of five cell lines examined. A significant decrease (P less than 0.001) in specific binding was observed 48 h after cultures were established. Cell cycle analysis suggested that within the first 24 h ...

International Nuclear Information System (INIS)

This paper deals with an analysis of a single specimen of Tentaculites crotalinus SALTER emend. CIGUEL et al. (1984) that present a possible partial preservation of the shell. It comes from an outcrop of the Grossa Formation (Devonian) near Jaguariaiva, State of Parana. The skeletal microstructure of the Tentaculitoidea shell rather poorly Known. Thus, the phylogenetic relationships of these invertebrates still uncertain. Tentaculitids are very common fossils in Devonian Ponta Grossa Formation (Parana Basin) but so far Known only from external and internal moulds. The objective of this study is to demonstrate wheter the layer found in between the internal and external mould is or not a case shell preservation. The chemical composition of this layer and of the external mould was analysed by X rays. X rays difratometry was applied only to the matrix (at the external mould). The structure of the supposed shell remain was studied by binocular stereomicroscope and ...

Science.gov (United States)

A way to synthesize the transient zwitterionic silylene L'Si: 8 {L'=CH[(C=CH(2))CMe(N(tBu))(2)]} and achieve its facile dimerization to the remarkable N-heterobicyclic disilane 8(2) is described. At first, employing the beta-diketiminate ligand L [L=CH(CMeN(tBu))(2)], both starting materials LH (2) and its N-lithium salt LLi (3) can react with SiBr(4) to yield the silylene precursor L'SiBr(2) (4) by silicon-induced C-H activation at an exocyclic methyl group on the backbone of the ligand. Compound 4 reacts with SiBr(4) above room temperature to afford the unexpected terminal CH(SiBr(3))-substituted dibromosilane 6 along with the unique tricyclic trisilane 7. Reduction of 4 with KC(8) at 0 degrees C furnishes the novel N-heterobicyclic disilane 8(2), which is a formal dimer of the desired zwitterionic silylene L'Si: (8). It has been reasoned that compound 8(2) may results from [4+1] cycloaddition of two molecules of 8 to give the transient dimer 8(2)', which ...

Energy Technology Data Exchange (ETDEWEB)

A number of ion exchange materials are being evaluated as part of the Tank Waste Remediation System (TWRS) Pacific Northwest Laboratory (PNL) Pretreatment Project for the removal of {sup 137}Cs from aqueous tank wastes. Two of these materials are organic resins; a phenol-formaldehyde resin (Duolite CS-100) produced by Rohm and Haas Co. (Philadelphia, Pennsylvania) and a resorcinol-formaldehyde (RF) resin produced by Boulder Scientific Co. (Mead, Colorado). One of the key parameters in the assessment of the organic based ion exchange materials is its useful lifetime in the radioactive and chemical environment that will be encountered during waste processing. The focus of the work presented in this report is the radiation stability of the CS-100 and the RF resins. The scope of the testing included one test with a sample of the CS-100 resin and testing of two batches of the RF resin (BSC-187 and BSC-210). Samples of the exchangers were irradiated with a {sup 60}Co source to a total ...

International Nuclear Information System (INIS)

A formalism for the dynamical treatment of the molecular orbitals of valence nucleons in nucleus-nucleus collisions is developed with the use of the coupled-reaction-channel (CRC) method. The Coriolis coupling effects as well as the finite mass effects of the nucleon are taken into account in this model, of rotating molecular orbitals, RMO. First, the validity of the concept is examined from the viewpoint of the multi-step processes in a standard CRC calculation for systems containing two identical [core] nuclei. The calculations show strong CRC effects particularly in the case where the mixing of different l-parity orbitals - called hybridization in atomic physics - occurs. Then, the RMO representation for active nucleons is applied to the same systems and compared to the CRC results. Its validity is investigated with respect to the radial motion (adiabaticity) and the rotation of the molecular axis (radial and rotational coupling). Characteristic molecular orbitals of covalent ...

International Nuclear Information System (INIS)

Immobilization of long-lived fission products (LLFP) such as radioactive Tc, Cs and Sr into #alpha#-SiAlON ceramics was evaluated using stable isotopes instead of radioactive isotopes, and the applicability of #alpha#-SiAlON ceramics as the inert matrix for transmutation of LLFP was investigated. In the case of single addition of SrO, SrCO_3, Cs_2CO_3 or ReO_2 to the starting materials, #alpha#-SiAlON, single phase was not formed after hot-pressing. When Y_2O_3 was added with SrO, SrCO_3 or Cs_2CO_3 to the starting materials (#alpha#-Si_3N_4, AlN and #alpha#-Al_2O_3) in optimum compositions, #alpha#-SiAlON single phase was obtained after hot-pressing at 1700degC or 1800degC. From the EDS analysis, Sr and Y were detected from grains. It is suggested that Y would assist the expansion of interstices of #alpha#-SiAlON lattice, resulting in the incorporation of Sr"2"+ into #alpha#-SiAlON lattice. In the case ...

International Nuclear Information System (INIS)

Atoms in very high Rydberg states, 100 approx-lt n approx-lt 1100, are used to investigate electron-molecule interactions at electron energies extending down to a few microelectronvolts. At such energies the cross section for electron capture by CCl_4 is observed to vary inversely with electron velocity, indicative of an s-wave process. Studies with the polar target CH_3Cl suggest that dipole-supported states may be important in inelastic electron-polar molecule scattering at very low electron energies.

International Nuclear Information System (INIS)

Short communication.

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) ...

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

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

Science.gov (United States)

SLPL molecule to stimulate sufficient growth to have nerve sprouts enter the electrode and establish a neural interface for prosthesis control. ...

UK PubMed Central (United Kingdom)

Summary of recent advancesA family of small molecules called ascarosides act as pheromones to control multiple behaviors in the nematode Caenorhabditis elegans....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.

CERN Document Server

We use a superspin Hamiltonian defined on an infinite-dimensional Fock space with positive definite scalar product to study localization and delocalization of noninteracting spinless quasiparticles in quasi-one-dimensional quantum wires perturbed by weak quenched disorder. Past works using this approach have considered a single chain. Here, we extend the formalism to treat a quasi-one-dimensional system: a quantum wire with an arbitrary number of channels coupled by random hopping amplitudes. The computations are carried out explicitly for the case of a chiral quasi-one-dimensional wire with broken time-reversal symmetry (chiral-unitary symmetry class). By treating the space direction along the chains as imaginary time, the effects of the disorder are encoded in the time evolution induced by a single site superspin (non-Hermitian) Hamiltonian. We obtain the density of states near the band center of an infinitely long ...

CERN Document Server

Utilizing form factors calculated within the light-cone sum rules, we have evaluated the decay branching ratios of $B_s\\to \\phi\\gamma$ and $B_s\\to \\phi \\ell^+\\ell^-$ in a single universal extra dimension model (UED), which is viewed as one of the alternative theories beyond the standard model (SM). For the decay $B_s \\to \\phi \\ell^+\\ell^-$, the dilepton invariant mass spectra, the forward-backward asymmetry, and double lepton polarization are also calculated. For each case, we compared the obtained results with predictions of the SM. In lower values of the compactification factor 1/R, the only parameter in this model, we see the considerable discrepancy between the UED and SM models. However, when 1/R increases, the results of UED tend to diminish and at $1/R = 1000 \\mathrm{GeV}$, two models have approximately the same predictions. Compared with data from CDF of $B_s \\to \\phi \\mu^+ \\mu^-$, the 1/R tends to be larger than $350 ...

International Nuclear Information System (INIS)

The oscillation experiment of free-electron laser (FEL) was carried at the wave length 488 nm. The space and time properties and power of FEL were investigated. The typical macropulse structure indicated the time interval 20 ms and the pulse width 2 to 3 ms. About 1 ns was necessary to build up FEL. The space distribution of FEL showed beautiful TEM_0_0 mode, TEM_0_1 and TEM_0_2 mode. On the basis of data, 39 #mu#W average power was calculated at 2.9 mA accumulated current per bunch by integrating each response of pixel of CCD camera. The peak power was 1.2 W. In the oscillator, FEL power was average 1.2 W, peak 38 kW. On the electron beam, the stability of head tail was controlled by 6-pole-Quadrupole-6-pole (SQS) system made by an experimental basis. We succeeded the single set test, setting up single set in the ring. The characteristic properties of electron beam evaporation mirror of photo oscillator were studied and then new type photo ...

International Nuclear Information System (INIS)

Studying the structure of nanoparticles as a function of their size requires a correlation between the image and the diffraction pattern of single nanoparticles. Nanobeam diffraction technique is generally used but requires long and tedious TEM investigations, particularly when nanoparticles are randomly oriented on an amorphous substrate. We bring a new development to this structural study by controlling the nanoprobe of the Bright and Dark Field STEM (BF/DF STEM) modes of the TEM. The particularity of our experiment is to make the STEM nanoprobe parallel (probe size 1 nm and convergence angle <1 mrad) using a fine tuning of the focal lengths of the microscope illumination lenses. The accurate control of the beam position offered by this technique allowed us to obtain diffraction patterns of many single nanoparticles selected in the digital STEM image. By means of this technique, we demonstrate size effects on the ...

British Library Electronic Table of Contents (United Kingdom)

Single crystal tungsten oxide (WO3) nanoparticles were prepared via a microwave-assisted method. Electrochemical activity for hydrogen evolution reaction (HER) on WO3 supported on carbon black (WO3/C) electrocatalyst was first studied in acid solution (0.5 M H2SO4) and alkaline solution (1.0 M KOH) at room temperature. The overall experimental results revealed that the electrocatalytic activity for HER on WO3/C is one order magnitude higher than those obtained with carbon black in 0.5 M H2SO4 and is six times than in the case of carbon black in 1.0 M KOH. These results demonstrated that WO3 could enhance the electrocatalytic activity for hydrogen evolution reaction in acid solution (0.5 M H2SO4) and alkaline solution (1.0 M KOH). On the other hand, the kinetic reaction mechanisms were disc...

CERN Document Server

Present and future ultra-high-energy-cosmic-ray facilities (e.g., the Pierre Auger Observatory with South and North components) and TeV-gamma-ray telescope arrays (e.g., HESS/VERITAS and CTA) have the potential to set stringent indirect bounds on the nine Lorentz-violating parameters of nonbirefringent modified Maxwell theory minimally coupled to standard Dirac theory. Theoretically, the most interesting case is isotropic Lorentz violation, which is described by a single parameter [taken to vanish for the case of the standard Lorentz-invariant theory]. It appears possible to obtain in the future an upper (lower) indirect bound on this single isotropic Lorentz-violating parameter at the +10^{-21} (-10^{-17}) level. Comparison is made with existing and future direct bounds from laboratory experiments. The possible physics implications of upper bounds at the 10^{-21} level are also briefly discussed.

International Nuclear Information System (INIS)

A wear-resistant nitrided layer was formed on a 304L austenitic stainless steel substrate by DC plasma nitriding. Effects of DC plasma nitriding parameters on the structural phases, micro-hardness and dry-sliding wear behavior of the nitrided layer were investigated by optical microscopy, X-ray diffraction, scanning electron microscopy, micro-hardness testing and ring-on-block wear testing. The results show that the highest surface hardness over a case depth of about 10 #mu#m is obtained after nitriding at 460 deg. C. XRD indicated a single expanded austenite phase and a single CrN nitride phase were formed at 350 deg. C and 480 deg. C, respectively. In addition, the S-phase layers formed on the samples provided the best dry-sliding wear resistance under the ring-on-block contact configuration test.

International Nuclear Information System (INIS)

Energy confinement in W7-AS has been analyzed in terms of dimensionally exact form free functions employing Bayesian probability theory. The confinement function was set up as a linear combination of dimensionally exact power law terms as already proposed very early by Connor and Taylor. Generation of this expansion basis is dictated by the basic plasma model which one assumes. Based upon data accumulated in W7-AS, which contains the energy content for a wide variety of variable settings, predictions for single variable scans are made. The scaling functions for density and power scans, respectively, are in quantitative agreement with data collected in W7-AS. The result of a single variable scan is therefore already hidden in the data obtained for arbitrary variable choices and can be extracted from the latter by a proper data analysis. Furthermore, the optimal model for the description of the global transport in W7-AS is ...

International Nuclear Information System (INIS)

We have tested the suitability of a new single-aliquot regenerative-dose protocol for estimating the equivalent dose (D_e) in polymineral fine grains extracted from colluvia from various sites in Germany. First, we report the behaviour of three OSL signals: (i) blue-stimulated, (ii) infrared-stimulated luminescence, and (iii) blue-stimulated luminescence following infrared (IR) stimulation, using a near-UV (290-380 nm) detection window in each case. For these three signals, there is a significant change in sensitivity with regeneration cycle; this change can be compensated for using the response to a fixed test dose after each natural or regenerated measurement. The source of the three luminescence signals is then investigated using pulse-anneal and elevated-temperature experiments. Fading tests on laboratory-induced signals show that although the IR signals fade by up to 23% in 15 days at 100 deg. C, the post-IR blue signals are stable. The preheat dependence of ...

Energy Technology Data Exchange (ETDEWEB)

Time-resolved characterizations of electron beams using optical transition radiation (OTR) as a prompt conversion mechanism have recently been extended on the Los Alamos Free-electron Laser (FEL) facility 40-MeV linac. Two key timescales for rf-linac driven FELs are the micropulse (10 ps) and the macropulse (5 {mu}s to 1 ms). In the past we have used gated, intensified cameras to select a single or few micropulses (25 to 400 ns gate width) out of the pulse train to evaluate submacropulse effects. Recently, we have obtained some of the first measurements of micropulse bunch length (7 to 10 ps) and submacropulse spatial position and profile using OTR and a Hamamatsu streak camera. Additionally, micropulse elongation effects and head-to-tail transverse kicks are reported as a function of charge.

British Library Electronic Table of Contents (United Kingdom)

The results of studies performed for the development of a new process of the thermal cracking of tar as a suspension with ground Baltic oil shale in order to obtain motor fuel components are reported. The experimental results suggest undoubted advantages of the process over industrial thermal cracking because the deep degradation of tar (the yields of a gasoline fraction with bp to 180?C, middle distillates with bp of 180?360?C, and feedstock for catalytic cracking with bp of 360?520?C were ~12, 43?44, and ~15?16 wt % on an initial tar basis) was achieved upon the single-stage processing of the raw material under relatively mild conditions (5 MPa, 425?C, and a feed space velocity of 1.0 h?1). The resulting coke-like products and V and Ni contained in the raw material were deposited on the ...

British Library Electronic Table of Contents (United Kingdom)

We investigated phase transition of ilmenite-type AgSbO3 to pyrochlore by post-heat treatment and the synergy effect of the mixed phases of AgSbO3 on the photocatalytic activities to enhance the activities. The AgSbO3 with an ilmenite structure was prepared by a cation-exchange method. Phase transition from the ilmenite to pyrochlore occurred by proper control of post-heat treatment. The sample that was obtained by post-heat treatment of ilmenite-type AgSbO3 at 660^oC for 3h consisted of both of the ilmenite and pyrochlore phases, and the sample at 685^oC for 4h mainly consisted of the pyrochlore phase. Together with an increase in the ratio of the pyrochlore phase, the optical absorption spectra blue-shifted. The band gaps of single phases of the ilmenite and the pyrochlore were 2.4 and 2...

International Nuclear Information System (INIS)

We have performed extended X-ray absorption fine structure (EXAFS) analysis for artificial Cr-goethite to elucidate the local structure around Cr in Cr-goethite. The spectra were obtained using synchrotron radiation X-rays at the Photon Factory in Tsukuba. The first shell contributions were isolated by Fourier filtering EXAFS data, and the inverse Fourier transformed single-shell data were analyzed using a curve fitting method. The results show that Cr is coordinated with (7#+-#1)O"2"- ions. The protective characteristics of the Cr-goethite protective rust layer on weathering steel can be interpreted in terms of the O"2"- coordination around Cr"3"+ resulting in the creation of negative fixed charge in the Cr-goethite particles. (author)

Science.gov (United States)

We have obtained convincing evidence for localization of the optical electron on a single-ring fragment of a chelated bipyridine-like'' ligand (ie., pyridylpyrazine or 4-Methyl-bipyridine). In addition we have completed studies of Ru(bipyrazine){sub 3}{sup 2+} in aqueous sulfuric acid (0--98% by weight) and find clear evidence for sequential addition of six-protons to the six peripheral nitrogen atoms. Studies of zeolite-entrapped complexes are continuing and a series of homo- and heteroleptic complexes have been prepared and characterized. Finally, the synthesis of zeolite-entrapped metallophthalocyanines has now been developed and the copper and cobalt analogues synthesized. The characterization of these materials is now in progress.

Energy Technology Data Exchange (ETDEWEB)

The influence of a periodic electromagnetic field on the radiative corrections to the atomic energy levels is studied for the case of ''strong fields'' for which the interaction between the atom and field is of the order or greater than the radiative effects. The analysis is carried out on the basis of the Schwinger-Dirac equation for the propagation function of a bound electron in the field and on the basis of the density matrix in the Furry representation. It is shown that in the strong field approximation the radiative shifts and widths are manifest as radiative corrections to the quasi-energies. In super-high resolution experiments intensity effects in the radiative corrections to the atomic levels are obtained in the case of single-photon resonance. Some multiphoton processes are condidered by taking into account the effect of the field on the radiative structure of the levels.

British Library Electronic Table of Contents (United Kingdom)

This paper analyzes the F-policy M/M/1/K queueing system with working vacation and an exponential startup time. The F-policy deals with the issue of controlling arrivals to a queueing system, and the server requires a startup time before allowing customers to enter the system. For the queueing systems with working vacation, the server can still provide service to customers rather than completely stop the service during a vacation period. The matrix-analytic method is applied to develop the steady-state probabilities, and then obtain several system characteristics. We construct the expected cost function and formulate an optimization problem to find the minimum cost. The direct search method and Quasi-Newton method are implemented to determine the optimal system capacity K, the optimal thre...

Energy Technology Data Exchange (ETDEWEB)

A three-dimensional mathematical thermo-fluid model coupling the electrochemical kinetics with fluid dynamics was developed to simulate the heat and mass transfer in planar anode-supported solid oxide fuel cell (SOFC). The internal reforming reactions and electrochemical reactions of carbon monoxide and hydrogen in the porous anode layer were analyzed. The temperature, species mole fraction, current density, overpotential loss and other performance parameters of the single cell unit were obtained by a commercial CFD code (Fluent) and external sub-routine. Results show that the current density produced by electrochemical reactions of carbon monoxide cannot be ignored, the cathode overpotential loss is the biggest one among the three overpotential losses, and that the proper decrease of the operating voltage leads to the increase of the current density, PEN structure temperature, fuel utilization factor, fuel efficiency and power output of the ...

International Nuclear Information System (INIS)

Differential cross sections for the excitation of the first octupole-vibrational state in the closed-neutron-shell nuclides "8"8Sr and "9"0Zr and in the closed-proton shell-nuclei sup(116,118,120,124)Sn by 11 MeV neutrons are presented. The distorted-wave Born approximation is used to obtain deformation lengths, delta(3"-) for each state. Results are compared with earlier measurements of inelastic proton scattering to the same states. Although limited resolution in the neutron time-of-flight spectrometer complicates the interpretation of the Sn data, the overall conclusion that deltasub(nn')(3"-) approx. deltasub(pp')(3"-) is supported by all of the measurements. (orig.).

British Library Electronic Table of Contents (United Kingdom)

Abstract Metastases to the thyroid gland diagnosed by means of fine needle cytology or by excision have been reported in the literature. To our knowledge, metastatic neoplasms to the parathyroid gland have never been described up to now. In this article, we introduce a rare case of metastatic breast carcinoma to a parathyroid adenoma in a 56-year-old woman, which clinically simulated a left thyroid nodule. The patient had a history of left breast carcinoma; the recent discovery of a palpable mass in the left thyroid area had elicited fine needle cytology sampling for its diagnostic evaluation. The obtained cytopathological sample was cellular but limited to a single Diff-Quik-stained smear; hence, no ancillary studies could be entertained. A cytopathological diagnosis of positive for malig...

International Nuclear Information System (INIS)

Measurements are made on the principal magnetic susceptibilities and anisotropies of praseodymium selenate octahydrate single crystals in the temperature range 90 to 300 K. Although the effective magnetic moment is close to the free ion value, the anisotropy is quite high at room temperature. A least sequares fit of the Curie-Weiss law to the observed average susceptibility yields -36.5 K as the paramagnetic Curie temperature. An analysis of the results with a crystal field (CF) of D_4 symmetry, explains the observed results quite well. The CF and the spin-orbit interaction matrix is block diagonalized in the complete 33 dimensional basis of the "3H term in order to obtain the Stark energies and their eigenstates. Intermediate coupling effects are also considered. The ground state being a singlet, the g-factors are absent. Some predictions on the electronic heat capacity and the electronic quadrupole splitting are made in the light of the ...

British Library Electronic Table of Contents (United Kingdom)

This paper introduces the application of independent component analysis mixture modelling (ICAMM) in non-destructive testing (NDT). The application consists of discriminating patterns for material quality control from homogeneous and defective materials inspected by impact-echo testing. This problem is modelled as a mixture of independent component analysis (ICA) models, representing a class of defective or homogeneous material by an ICA model whose parameters are learned from the impact-echo signal spectrum. These parameters define a kind of particular signature for the different defects. The proposed procedure is intended to exploit to the maximum the information obtained with the cost efficiency of only a single impact. To illustrate this capability, four levels of classification detail...

Energy Technology Data Exchange (ETDEWEB)

Stability and decomposition of PtSi, NiSi, and PdSi in contact with single crystal or amorphous Si is examined. PtSi, PdSi and NiSi are thermally stable both with Si, but are unstable in contact with metal film. It is shown that epitaxial Si layers can be obtained using both Pd and Al as metal film and layers can be electrically doped by the addition of a doping layer to the thin film structure prior to the heat treatment or by inclusion of Al atoms so that n/sup +/ and p/sup +/ conductivity can be achieved in the grown epilayer. The effects of impurities, substrate orientation on the growth kinetics are also discussed. (LEW)

Energy Technology Data Exchange (ETDEWEB)

Time-resolved characterizations of electron beams using optical transition radiation (OTR) as a prompt conversion mechanism have recently been extended on the Los Alamos Free-electron Laser (FEL) facility 40-MeV linac. Two key timescales for rf-linac driven FELs are the micropulse (10 ps) and the macropulse (5 [mu]s to 1 ms). In the past we have used gated, intensified cameras to select a single or few micropulses (25 to 400 ns gate width) out of the pulse train to evaluate submacropulse effects. Recently, we have obtained some of the first measurements of micropulse bunch length (7 to 10 ps) and submacropulse spatialposition and profile using OTR and a Hamamatsu streak camera. Additionally, micropulse elongation effects and head-to-tail transverse kick effects are reported as a function of charge.

International Nuclear Information System (INIS)

Biomass combustion is an important part in a sustainable energy system, but as well a source of submicron (particles < 1 #mu#m) particles in the air. Consequently, to obtain a good air quality together with increased biomass combustion there is a need for a better understanding of particle formation. This work is a part of a larger project about formation and emissions of particles from biofuel combustion. The report includes the work performed in the project during the year 2004. The aim of the project is to describe the release of inorganic components, which cause particle emissions, during combustion of single fuel particles of biofuel, e.g. wood pellets. The work is carried out by emission measurements, systematic combustion experiments and modelling work. The results are expected to contribute to the understanding of which parameters that influence the formation of fine particles and thus gain a better insight into practical measures ...

Science.gov (United States)

The phase stability of silicides of Ni, Pt and Pd in contact with single crystal or amorphous silicon is examined. The presence of a particular silicide phase is identified by X-ray diffraction, and Rutherford backscattering is used to study composition. It is concluded that Pt or Pd silicides are suitable for Schottky barriers. Layers of silicon can be grown quickly by solid phase epitaxy at temperatures of 300-500C and using an intermediate metal film. Experimental results are reported. Doped layers have been obtained which have electrical characteristics suitable for the junctions in solar cells. The effects of impurities and orientation of the substrate on the growth kinetics are discussed.

Energy Technology Data Exchange (ETDEWEB)

Thin Pt, Pd, Pt/sub 2/Si, PtSi, Pd/sub 2/Si, Ni, Mo, W, Nb, Ti, V films deposited on Si single crystal were treated by using electron beam pulses of 60 ns duration in the 0.4-4 J/cm/sup 2/ energy density range. Irradiation of these structures produces at the same time many phases. Post-thermal annealing of the reacted layer induces the formation of a stable phase, the same obtained by only thermal treatment in a conventional furnace. A linear relationship between the energy density range and the lowest eutectic temperature of the compounds formed has been found. Further SEM observations seem to identify a liquid layer from which the phases are forming by subsequent fast cooling.

International Nuclear Information System (INIS)

Dense samples of #beta#-sialons (with z from 1 to 4) were pressuressly sintered for different time (15-240 minutes) and at relatively low temperature of 1600 C using single-phase #beta#-sialon powders synthesized by combustion nitridation. The samples were characterized using ultrasonic method for determination of elastic properties (E,G,#mu#). Also, hardness by Knoop and fracture toughness by Vickers indentation microfracture method was estimated. With increasing z number Young's modulus decreases from 293 to 179 GPa. Simultaneously Poisson ratio increases by about 30%. The highest values of hardness and fracture toughness were obtained for sialon with z equal to 1. (orig.).

International Nuclear Information System (INIS)

The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V_3Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author).

British Library Electronic Table of Contents (United Kingdom)

Forced harmonic vibration of a non-uniform elastic beam with attached dynamic vibration absorbers (DVA) is studied. Analytical approximation of the solution is obtained by the functional perturbation method (FPM). The problem has application to cutting tools operations where the resistance of the tool holder against regenerative chatter can be enhanced by optimizing the real part of the frequency response function (FRF). A test case of a beam with step-like heterogeneity and single DVA at the tip shows that the FPM solution is very accurate for up to ?40 percent deviation in both stiffness and mass density. Using the analytical results and Sims approach, optimal DVA tuning is found for each set of beam heterogeneity parameters by solving a set of nonlinear algebraic equations numer...

CERN Document Server

We construct the Baxter Q-operator and the representation of the Separated Variables (SoV) for the homogeneous open SL(2,R) spin chain. Applying the diagrammatical approach, we calculate Sklyanin's integration measure in the separated variables and obtain the solution to the spectral problem for the model in terms of the eigenvalues of the Q-operator. We show that the transition kernel to the SoV representation is factorized into the product of certain operators each depending on a single separated variable. As a consequence, it has a universal pyramid-like form that has been already observed for various quantum integrable models such as periodic Toda chain, closed SL(2,R) and SL(2,C) spin chains.

British Library Electronic Table of Contents (United Kingdom)

Background: Apheresis is a procedure to selectively obtain blood components. For the collection process citrate is routinely used. It inhibits coagulation by binding to ionized calcium and leads to metabolic alkalosis. Objective: Whether regular apheresis affects bone and mineral metabolism is unknown. The intention of this study was to investigate 1) the acute effects of apheresis on acid-base balance, bone and mineral metabolism and 2) to compare bone mineral density (BMD) at the lumbar spine and hip of donors to matched control subjects. Design: In this open, observational, single-center, cross-sectional study we enrolled 102 regular plasma and thrombocyte donors to pursue objective 1) and compared those to 102 matched controls (CTR) for objective 2). Results: Platelet donation led to s...

International Nuclear Information System (INIS)

The raw materials used in manufacturing of phosphate fertilizer products were derived from rocks. Rocks contain a remarkable of natural radioactivity. Uranium and phosphorous were originally initiated at the same time of the initiated rocks. The purpose of this research is to investigate solubility of uranium phosphate species at the phosphate fertilizer samples, samples including; raw phosphate material, single super phosphates (SSP) granules and powdered, triple super phosphates (TSP) and phosphogypsum samples were obtained from Abu-Zabal factory in Egypt. Solubility of uranium phosphate species was estimated. It was found that, less than half of the uranium phosphate species are soluble in water. The soluble uranium may be enter into the food chains by plant. Therefore, restriction should be done in order to limit contamination of land and the public.

Energy Technology Data Exchange (ETDEWEB)

A novel adaptive stabilizer, called an Adaptive Governor Power System Stabilizer (AGPSS), which operated on the governor turbine system, was described. There has been extensive research on adaptive excitation control of generators in power systems with the goal of achieving better dynamic performance. AGPSS tracks the frequency and damping of oscillations in a power system, and adjusts to ensure that there is always sufficient damping in the system. There is no interaction between stabilizers on different generating units, and each one acts independently, consuming oscillation energy locally. These stabilizers are easy to design and this facilitates their use in multimachine systems. Results obtained by nonlinear simulation of a single-machine and a three-machine power system were discussed, illustrating the effectiveness of the stabilizers in supplying damping and improving stability. It was pointed out that the operation of AGPSS does not ...

British Library Electronic Table of Contents (United Kingdom)

An analytical method was proposed for calculating radiative fluxes incident on a planar circular detector from a volume multiple point chemi- or bio-luminescent source inside a coaxial cylindrical reactor. The method was designed for a cylindrical reactor when the surface reflections were neglected and when chemi- or bio-luminescence reaches a detector embedded in the same homogeneous optical medium as the point emitters of the volume multiple point source model. The radiative fluxes from arbitrarily distributed point emitters were expressed by one generalized quadruple-integral formula. Then some double- and single-integral formulas were obtained for calculating radiative fluxes from identically radiating point emitters uniformly distributed within the reactor. Selected results were compu...

CERN Document Server

A set of mode-coupled excitation equations for the slowly-growing amplitudes of dielectric waveguide eigenmodes is derived as a description of the electromagnetic signal field of a high-gain free-electron laser, or FEL, including the effects of longitudinal space-charge. This approach to describing the field basis set has notable advantages for FEL analysis in providing an efficient characterization of such eigenmodes, and in allowing a clear connection to free-space propagation of the input (seeding) and output radiation. A simple transformation converts the coupled differential excitation equations into a set of coupled algebraic equations and yields a matrix determinant equation for the FEL eigenmodes. A quadratic index medium is used as a model dielectric waveguide to obtain an expression for the predicted spot size of the dominant eigenmode, in the approximation that it consists of a single gaussian mode.

British Library Electronic Table of Contents (United Kingdom)

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.

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.

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.

UK PubMed Central (United Kingdom)

The tumor suppressor p53 is often inactivated in breast cancer cells because the overexpression of its repressors (e.g., MDM2 and MDMX). Restoration of p53 activity by small molecules through counteracting...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The analytical results of blowdown characteristics and thrust forces were compared with the experiments, which were performed as pipe whip and jet discharge tests under the PWR LOCA conditions. The blowdown thrust forces were obtained by Navier-Stokes momentum equation for a single-phase, homogeneous and separated two-phase flow, assuming critical pressure at the exit if a critical flow condition was satisfied. The following results are obtained: (1) The node-junction method is useful for both the analyses of the blowdown thrust force and of the water hammer phenomena. (2) The Henry-Fauske model for subcooled critical flow is effective for the analysis of the maximum thrust force under the PWR LOCA conditions. The jet thrust parameter of the analysis and experiment is equal to 1.08. (3) The thrust parameter of saturated blowdown has the same one with the value under pressurized condition when the stagnant pressure is chosen ...

Energy Technology Data Exchange (ETDEWEB)

Propylene and ethylene glycol deicers are commonly used at airports in the US and other countries to remove and retard the accumulation of snow and ice on aircraft. Deicers may not only enter water bodies without treatment, due to excessive storm-related flow, but also may expose terrestrial organisms to high concentrations through surface runoff. Most available toxicity data are for aquatic vertebrates and invertebrate species; this study examined effects on terrestrial and aquatic plants. Terrestrial plant species included both a monocot (rye grass, Lolium perenne) and a dicot (lettuce, Lactuca saliva). Aquatic species included a single cell alga (Selenastrum capricomutum), and an aquatic macrophyte (duckweed, Lemna minor). Glycol deicers were obtained in the formulated mixtures used on aircraft. Pure ethylene and propylene glycol were obtained from Sigma{reg_sign}. Parameters measured included germination, root and shoot ...

International Nuclear Information System (INIS)

Ionic motion of a divalent cation, Ba"2"+, in a single crystal of Ba-Al-priderite was studied using "2"7Al as an NMR probe. Several pairs of satellite peaks due to electric quadrupole interaction were observed superposed on broad satellite tails on both sides of the main peak of "2"7Al. These peak pairs indicate the existence of some stable three-dimensional configurations of Ba"2"+ ions in the structure, and the broad shoulders show a random substitution of Al"3"+ for Ti"4"+ sites. The temperature dependence of the spin-lattice relaxation time T"*_l measured in the temperature range from 161 to 1176 K was analyzed by a curve fitting method on the assumption that there are two types of Ba"2"+ ions. An activation energy of 0.47 eV was obtained for the motion of Ba"2"+ ions which are easy to move, and a broad distribution of activation energies spread over a range from 0.95 to 2.45 eV was obtained for the motion of Ba"2"+ ...

Energy Technology Data Exchange (ETDEWEB)

The real-time neutron radiography system of the Kyoto University Reactor (KUR) has been practically applied to penetrating the side plates containing boron burnable poison to test MTR type reactor fuels and to investigation of moving objects. Compared with the image obtained by the direct film method, however, the image from the TV system is in low-contrast and poor-resolution. This paper presents some digital processing approaches to improve the image quality and the neutron TV system is successfully applied to neutron computed tomography (NCT). The frame summing technique is effective to increase the quality of the radiographic image. By using the NTV system in NCT, the projection data are able to be acquired in a single measurement as observing the projection image on a CRT monitor. Two weighting functions based on the Fourier-convolution algorithm are employed to obtain the reconstructed image. The image quality could ...

Energy Technology Data Exchange (ETDEWEB)

The transient enhanced diffusion of low and high dose implanted beryllium in undoped gallium arsenide during post-implant rapid thermal annealing in the temperature range of 700-900 C for 60-240 s has been studied and successfully simulated by the kick-out diffusion model, involving singly positively charged Be interstitials and doubly positively charged Ga self-interstitials. Using the ''plus one'' approach for Ga interstitial generation after implantation with the local Ga interstitial sink concept as well as the appropriate initial and boundary conditions for involved mobile species, and taking into account Fermi-level and built-in electric field effects, the obtained partial differential equations have been solved numerically by means of an explicit finite difference method. The thermal equilibrium concentrations and the diffusivities of Be and Ga interstitials, all as a function of temperature, have been ...

International Nuclear Information System (INIS)

The bioavailability of lead was studied in rats fed various baby foods (Babymix-turkey, Babymix-vegetables, Frutolino-fruit, Frutamix-bananas, Babyron-S-26, Truefood), cow's milk, bread, liver and standard rat diet. Lead absorption was determined by measuring the whole body retention of "2"0"3Pb 6 days after a single oral application. Highest absorption values ranging from 17 to 20% were obtained in animals fed cow's milk and fruit foods. Rats on other human diets absorbed between 3 and 8% of the radioactive lead dose. Only in animals on rat diet lead absorption was below 1%. It is concluded that rats fed human diets show absorption values similar to those in humans. This might indicate that the bioavailability of lead is primarily dependent on dietary habits. This experimental model, if confirmed by further work, might be useful for obtaining preliminary data on the bioavailability of metals from various foods.

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)

A fermentation waste, Corynebacterium glutamicum, was successfully employed as a biosorbent for Reactive Black 5 (RB5) from aqueous solution. This paper initially studied the effect of pretreatment on the biosorption capacity of C. glutamicum toward RB5, using several chemical agents, such as HCl, H{sub 2}SO{sub 4}, HNO{sub 3}, NaOH, Na{sub 2}CO{sub 3}, CaCl{sub 2} and NaCl. Among these reagents, 0.1 M HNO{sub 3} gave the maximum enhancement of the RB5 uptake, exhibiting 195 mg/g at pH 1 with an initial RB5 concentration of 500 mg/l. The solution pH and temperature were found to affect the biosorption capacity, and the biosorption isotherms derived at different pHs and temperatures revealed that a low pH (pH 1) and high temperature (35 deg. C) favored biosorption. The biosorption isotherm was well represented using three-parameter models (Redlich-Peterson and Sips) compared to two-parameter models (Langmuir and Freundlich models). As a result, high correlation coefficients and low ...

Energy Technology Data Exchange (ETDEWEB)

The present results indicate that maximum selectivity to acrylic acid can be reached over V-P-Zr-O catalysts. When the hydrocarbon concentration is 5.1 vol.% the selectivity is about 30% at quite high paraffin conversion. Conclusively, some explanations to the observed facts can be given. The V-P-O catalyst promotion with lanthanum by means of mechanochemical treatment is distinguished by the additive uniform spreading all over the matrix surface. Such twophase system is highly active in propane conversion (lanthanum oxide) and further oxidation of the desired products. The similar properties are attributed to V-P-Bi-La-O catalyst. Bismuth, tellurium and zirconium additives having clearly defined acidic properties provoke the surface acidity strengthening and make easier desorption of the acidic product (acrylic acid) from the surface lowering its further oxidation. Additionally, since bismuth and zirconium are able to form phosphates and, according to, to create space limitations for ...

International Nuclear Information System (INIS)

Full text: In case of lanthanide (Ln) compounds the bis(trimethylsilyl)amido (btmsa) ligand is considered as a steric and electronic equivalent of the bis(trimethylsilyl)methanido (btmsm) group . Because of their extreme air and moisture sensitivity the chemistry of Ln(btmsm)_3 is very poor, whereas that of comparatively stable Ln(btmsa)_3 is much more developed. As we wish to extend the chemistry of Ln(btmsm)_3 and plan to derive and to parameterize the crystal field (CF) splitting patterns of the target molecules, it is recommended to study in advance the electronic structures of the corresponding compounds derived from Ln(btmsa)_3 . Beside (btmsa)_3 Nd(m-Cl)Li(THF)_3 a number of mono base adducts [(btmsa)_3 Ln.B] with sterically less demanding bases such as OPPh_3 , NCtBu or CNtBu have been described and were partly structurally characterized. Considering only the immediately coordinating atoms, the effective CF is of C_3_v symmetry. According to recent ...

International Nuclear Information System (INIS)

Reactive Magnetron Sputtering is a complex process and huge efforts are made addressing the understanding of its fundamental phenomena and the simulation of the deposition process by e.g. Particle in Cell/Monte Carlo (PIC/MC). One of the most uncertain parameters in this reactive sputtering process is the incorporation coefficient of the reactive gas in the growing layer, i.e. the real-time sticking coefficient during deposition. In this work, mass spectrometry is used to deliver more insights on this complex matter. Earlier, a method was developed to determine the incorporation coefficient of the reactive gas molecules in the growing metal film, using mass spectrometry combined with thin film analysis techniques (electron probe microanalysis and x-ray photoelectron spectroscopy). This method delivers a global, realistic incorporation coefficient which can be used in models for the reactive sputtering process. In this work, new insights have been added to the ...

Energy Technology Data Exchange (ETDEWEB)

Formaldehyde, a well-identified indoor pollutant, was recently classified as carcinogenic. New regulations for the air quality are expected and therefore there is a need for low-cost sensors, sensitive and selective with a fast response time for the detection of formaldehyde at ppb level. In the present work, we had developed a chemical sensor based on nano-porous matrices doped with Fluoral-P and optical methods of detection. The nano-porous matrices, elaborated via the Sol-Gel process, display nano-pores whose cavity is tailored for the trapping of the targeted pollutant. They provide a first selectivity with the discrimination of the pollutants by their size. A second selectivity is obtained with a molecular probe, Fluoral-P, which reacts specifically with formaldehyde leading to the 3,5- di-acetyl-1,4-dihydro-lutidine (DDL). The kinetics of formation of DDL was studied as function of many parameters such as the concentration of Fluoral-P in the matrix, the ...

Energy Technology Data Exchange (ETDEWEB)

Infrared spectra of bicyclo[1.1.1]pentane (C5H8) have been recorded at a resolution (0.0015 cm-1) sufficient to resolve for the first time individual rovibrational lines. This initial report presents the ground state constants for this molecule determined from the detailed analysis of three of the ten infrared-allowed bands, v14(e?) at 540 cm-1, v17(a2?) at 1220 cm-1, v18(a2?) at 832 cm-1, and a partial analysis of the v11(e?) band at 1237 cm-1. The upper states of transitions involving the lowest frequency mode, v14(e?), show no evidence of rovibrational perturbations but those for the v17 and v18 (a2?) modes give clear indication of Coriolis coupling to nearby e? levels. Accordingly, ground state constants were determined by use of the combination-difference method for all three bands. The assigned frequencies provided over 3300 consistent ground state difference values, yielding the following constants for the ground state (in units of cm-1): B0 = 0.2399412(2), ...

Energy Technology Data Exchange (ETDEWEB)

The first overtone spectrum of solid parahydrogen with various low ortho impurity levels has been studied in detail using a White-type external multireflection system. For the Q{sub 2{l_arrow}0}(0) transition the authors have observed the fully resolved threefold splitting due to the crystal field effect. Furthermore, the authors have obtained a rich satellite spectrum associated with the transitions Q{sub 2{l_arrow}0}(0) and Q{sub 2{l_arrow}0}(1) at different ortho-H{sub 2} contents revealing information about the ortho-H{sub 2} pair interaction in the second vibrationally excited state of the hydrogen molecule. A preliminary analysis and assignment of these satellite transitions will be presented. Another point of study was the spectral region around 8300 cm{sup -1}, where the double transitions of the type Q{sub 1{l_arrow}0}(n) + Q{sub 1{l_arrow}0}(n{prime}) (n, n{prime} = 0,1) are located. The most remarkable features here are the Q{sub ...

International Nuclear Information System (INIS)

Thin films (1-10 ?m thickness) of nanocomposites (NC) based on organic coordinated compound (OCC) Eu(TTA)2(Ph3PO)2NO3 (where TTA is thenoyl trifluoroacetonate (C8H5F3O2S), Ph3PO - triphenylphosphine (C6H5PO) and polymer-polyvinylpyrrolidone ((C6H9NO)n) (PVP)) were obtained by chemical methods and with different molar ratios into organic polymer matrix. NC have been characterized by measurements of optical transmission, excitation spectra of photoluminescence (PL) and photoluminescence of NC at different concentrations of Eu(TTA)2(Ph3PO)2NO3 in NC. In the optical transmission of NC, the characteristic parameters of NC such as threshold absorbance, dependence on the concentration of the organic coordinated compound in NC, etc., have been determined The displacement of threshold absorption to infrared is observed with increasing of the concentration of the coordination material in NC. The excitation spectrum of photoluminescence of NC led the range from 200 to 400 nm ...

International Nuclear Information System (INIS)

High-resolution "1H and "3"1P nuclear magnetic resonance spectroscopy has been used to investigate the binding of 2,3-diphosphoglycerate to human normal adult hemoglobin and the molecular interactions involved in the allosteric effect of the 2,3-diphosphoglycerate molecule on hemoglobin. Individual hydrogen ion NMR titration curves have been obtained for 22-26 histidyl residues of hemoglobin and for each phosphate group of 2,3-diphosphoglycerate with hemoglobin in both the deoxy and carbonmonoxy forms. The results indicate that 2,3-diphosphoglycerate binds to deoxyhemoglobin at the central cavity between the two #beta# chains and the binding involves the #beta#2-histidyl residues. Moreover, the results suggest that the binding site of 2,3-diphosphoglycerate to carbonmonoxyhemoglobin contains the same (or at least some of the same) amino acid residues responsible for binding in the deoxy form. As a result of the specific interactions with ...

Energy Technology Data Exchange (ETDEWEB)

A fully implicit compositional simulator was written to predict the drawdown and buildup responses for a single well in a gas condensate reservoir. The model uses the Redlich-Kwong equation of state to compute fluid properties and to determine phase equilibrium. The accuracy of the model predictions in the two-phase flow regime is tested using the results of a steady-state theory developed here. Two new correlating functions for transient flow - the reservoir integral and the sandface integral - are presented. The reservoir integral is shown to be a good liquid analogue during transient flow (drawdown). The sandface integral correlates with the liquid solution only in the slope. These two theoretical functions are shown to reduce to a computable pseudopressure function by using the results of the steady-state theory. The usefulness of this pseudopressure function for computing the permeability-thickness product and the skin factor is documented. For pressure ...