International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical ...

British Library Electronic Table of Contents (United Kingdom)

The interfacial tension g of the hexane solution of 1H,1H,10H,10H-perfluorodecane-1,10-diol (FC10diol) and 1H,1H,2H,2H-perfluorododecanol (TFC12OH) mixture against water was measured as a function of the total molality m and composition of TFC12OH in the mixture X2 at 298.15K under atmospheric pressure. The interfacial pressure p vs. mean area per adsorbed molecule A curves and the phase diagram of adsorption (PDA) were constructed in order to shed light on the effect of the molecular orientation on the state of and the miscibility of FC10diol and TFC12OH in the adsorbed film. The p vs. A curves demonstrated that the mixed system exhibits three kinds of film states, parallel-condensed, normal-condensed, and multilayer states, depending on m and X2. The PDA indicated that film composition X...

Energy Technology Data Exchange (ETDEWEB)

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 ...

UK PubMed Central (United Kingdom)

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

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 performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ?-sheet and ?-helical conformations ranges from 0.8 to 6.2 ppm depending on the residue ...

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

LCTs (liquid crystal thermosets) have significant potential as a new class of structural materials. Through appropriate processing techniques using magnetic fields, the authors can orient the liquid-crystalline molecules and significantly improve the mechanical properties of the material. Most notably, the use of magnetic field processing can increase the tensile modulus threefold over the modulus in the unoriented material. This modulus value is only obtained in conventional epoxies in highly filled systems. Further investigation of the full set of mechanical properties of oriented LCTs will validate their approach to processing these materials. In the long run, the development of an economical and viable route to oriented LCTs will provide opportunities to expand the use of lightweight polymers in structural applications.

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)

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 ...

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

In this paper we review and classify the various patterns of isosteric heat versus loading for adsorption of gases on graphitised thermal carbon black at temperatures ranging from below the 3D triple point to temperatures above it, but less than the 3D critical point. We have identified the features of heat curve and highlighted the microscopic origin of these features. The patterns vary with temperature and with the relative strength of the fluid-fluid interaction and solid-fluid interaction. For simple adsorptives (by simple we meant there is no strong association between fluid particles), the heat curve is typified by fluid-fluid attraction and layering phenomena. For adsorptives showing strong association such as water, ammonia and methanol, the heat curve essentially begins below the condensation heat and then approaches it as loading is increased. This is mainly due to the strong hydrogen bonding in these fluids. A third group includes adsorptives such as ...

Science.gov (United States)

We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest ...

UK PubMed Central (United Kingdom)

The hydrogen bonding of ligated water in ferric, high-spin, resting-state substrate complexes of heme oxygenase from Neisseria meningitidis has been systematically perturbed...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The high resolution spectrum of the parahydrogen Q{sub 3}(0) transition at 11758 cm{sup -1} has allowed specific quantum state assignment of the ten lines which compose this transition. The transition cannot occur unless a dipole moment is induced in the parahydrogen by an external field. The quadrupole field of an impurity o-H{sub 2} molecule provides this field, and the transition occurs in the orientationally dependent field of the orthohydrogen molecule. Transitions induced by the quadrupolar field of the J=1 H{sub 2} in the nearest neighbor as well as in the next nearest neighbor shells have been observed. By lowering the impurity orthohydrogen concentration, the authors have observed lines with linewidths of approximately 15 MHz hwhm with a Ti:Sapphire laser having a sensitivity of 3x10{sup -5} ({Delta}I/I) using the toneburst method. Additionally, the second vibrational overtone of the impurity orthohydrogen ...

British Library Electronic Table of Contents (United Kingdom)

This communication reports the formation of complex Langmuir monolayer at the air-water interface by charge transfer types of interaction with the water soluble N-cetyl Formula Not Shown -trimethyl ammonium bromide (CTAB) molecules doped with rosebengal (RB), with the stearic acid (SA) molecules of a preformed SA Langmuir monolayer. The reaction kinetics of the formation of RB-CTAB-SA complex monolayer was monitored by observing the increase in surface pressure with time while the barrier was kept fixed. Completion of interaction kinetics was confirmed by FTIR study. This complex Langmuir films at the air-water interface was transferred onto solid substrates at a desired surface pressure to form multilayered Langmuir-Blodgett films. Spectroscopic characterizations reveal some molecular lev...

International Nuclear Information System (INIS)

A transient flow reduction burnout experiment was conducted with water in a uniformly heated, vertically oriented tube. Test pressures ranged from 0.5 to 3.9 MPa. An analytical method was developed to obtain transient burnout conditions at the exit. A simple correlation to predict the deviation of the transient burnout mass velocity at the tube exit from the steady state mass velocity obtained as a function of steam-water density ratio and flow reduction rate. The correlation was also compared with the other data. (author).

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Perylene bisimides (PBIs) represent an important class of organic n-type semiconductors exhibiting a relatively high electron affinity among large-band-gap materials. Herein synthesis and characterization of several unsymmetrical N-substituted PBI dyes is presented and the thermotropic behavior, which is strongly affected by the respective N-substituents was investigated. Two different series of highly soluble and fluorescent derivatives have been synthesized: (1) PBIs bearing swallow-tailed alkyl chains, different in size or (2) one swallow-tailed alkyl chain and one branched oligoethylenglycolether. Synthesis of these PBIs is generally feasible by two distinct divergent synthesis approaches. Thermotropic behavior was studied by DSC, POM and XRD measurements. Inherent {pi}-{pi} interactions between cofacially orientated perylene molecules and the elliptic shape of the molecule favor the ordering in columns and ...

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)

This renewal request for DOE grant DE-FG02-86ER45238, is dedicated to providing a complete thermodynamic profile of solids fluids, and fluid mixtures, over a wide range of temperatures and pressures. We are partially motivated by technological interest in detonation, combustion, superhard high pressure materials, and high temperature superconductors, which are important components of interest of various DOE laboratories. Our work on fluids and solids, composed of simple molecules, involves the determination of structures, phase transitions, pressure-volume relations, phonon, vibron, and libron modes of excitation, sound velocities, specific heats, thermal expansion, virial coefficients, sublimation energies, and orientational translational, and magnetic correlations. We hope that the study of these systems under extreme thermodynamic conditions will lead to exotic new materials of value, as well as enhanced fundamental understanding.

British Library Electronic Table of Contents (United Kingdom)

Abstract Dynamic testing of a phosphoric acid-based high temperature PEM fuel cell shows a peculiar phenomenon. A certain current loss is observed after temperature cycling at constant voltage. This loss is incidentally recovered by applying a cell voltage spike to open circuit voltage. Experimental investigations into temperature, cell voltage, and ageing effects show that this phenomenon might occur due to the orientation of the adsorbed phosphate species on the platinum catalyst surface. Along with some supporting literature and experimental results, a hypothesis is presented in order to explain this occurrence. Phosphoric acid adsorption hysteresis on platinum catalyst due to temperature cycling could cause the temporary cell current loss. Electrode potential-dependent molecule symmetr...

British Library Electronic Table of Contents (United Kingdom)

Abstract The air-water interface presents several interesting features, namely a) a molecularly flat environment, b) a boundary region between two phases with different dielectric constants, c) permits or promotes dynamic interactions within the interface region, and d) a point of interaction between hydrophobic compounds and aqueous molecules. Accordingly, Langmuir monolayers at the air-water interface have several unique characteristics and properties, which require investigation. In this review-type personal account, typical examples of molecular recognition and molecular patterning at air-water interfaces are first introduced, followed by descriptions of specific and unusual properties of monolayers on water. In addition, two examples of our own results concerning Langmuir monolayers a...

Energy Technology Data Exchange (ETDEWEB)

Yucca Mountain, Nevada is a potential site for a high-level radioactive-waste repository. Uncertainty and sensitivity analyses were performed to estimate critical factors in the performance of the site with respect to a criterion in terms of pre-waste-emplacement ground-water travel time. The degree of failure in the analytical model to meet the criterion is sensitive to the estimate of fracture porosity in the upper welded unit of the problem domain. Fracture porosity is derived from a number of more fundamental measurements including fracture frequency, fracture orientation, and the moisture-retention characteristic inferred for the fracture domain.

International Nuclear Information System (INIS)

The Ni(H_2O)_6 ion is located at an inversion center. Six octahedral water molecules surround the Ni"I"I ion and form hydrogen bonds with the sulfate groups. Each ammonium group binds to the sulfate groups through hydrogen bonds. (orig.).

Energy Technology Data Exchange (ETDEWEB)

We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H2O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (?) between 5 and 6 H2O/SO3- as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by two orders of magnitude when the ? value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a ? value of 15 is about 1.1x10-5 cm2/s in agreement with experiment. The results provide quantitative ...

British Library Electronic Table of Contents (United Kingdom)

Pressurized hot water extraction (PHWE) is a very useful technique for recovering bioactive molecules from natural materials using subcritical compressed liquid water in the temperature range of 50-150degreeC. A novel process has been developed for making a natural sweetener from licorice (Glycyrrhiza glabra) roots involving selective chemical reaction and easy separation, for recovering mono-ammonium glycyrrhizate (MAG) using hot water with dissolved ammonia and pressurized with carbon dioxide. The performance of the novel PHWE process has been evaluated to ascertain the optimum process parameters to maximize the recovery of MAG by varying the parameters, such as temperature (30-120degreeC), pressure (1-10atm), extraction time (60-120min), water-to-feed ratio (20-40ml/g), number of stages...

CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

Energy Technology Data Exchange (ETDEWEB)

Polycyclic aromatic hydrocarbons (PAH`s) are ubiquitous hydrophobic organic pollutants in the marine environment. Many of the PAM`s are classified as possible carcinogens or mutagens, therefore they are of considerable concern to human and environmental health. The highest concentrations are found in coastal regions due to anthropogenic activities including oil spills, tanker operations, incomplete fossil fuel combustion and runoff. The sources and distribution of PAM`s in sediments are fairly well known, while the fate and transport of PAH`s in the marine environment are less known. Desorption is an important factor influencing the fate and transport of hydrophobic molecules at the seawater/sediment interface. The desorption of PAH`s from contaminated marine sediments to the water column/pore water affects the availability of the pollutant to biota. The sorption of PAH`s is determined in part by the organic carbon content ...

British Library Electronic Table of Contents (United Kingdom)

In this paper, a robust water level control system for the horizontal steam generator (SG) using the quantitative feedback theory (QFT) method is presented. To design a robust QFT controller for the nonlinear uncertain SG, control oriented linear models are identified. Then, the nonlinear system is modeled as an uncertain linear time invariant (LTI) system. The robust designed controller is applied to the nonlinear plant model. This nonlinear model is based on a locally linear neuro-fuzzy (LLNF) model. This model is trained using the locally linear model tree (LOLIMOT) algorithm. Finally, simulation results are employed to show the effectiveness of the designed QFT level controller. It is shown that it will ensure the entire designer's water level closed loop specifications.

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium ...

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 of an electron density ...

Environmental Research Database

ObjectivesNot EnteredDescriptionMethane hydrate in an ice-like substance consisting of molecules of methane gas combined chemically with water. It is stable at high pressures and low temperatures. Since the ocean floor is normally cold, but temperatures increase with depth inside the Earth, such conditions normally prevail for a few hundred meters below the seafloor where the ocean depth is more than a few hundred metres. Methane beneath the ocean floor is formed by the decomposition of organic material. At the edges of the co [continued...

International Nuclear Information System (INIS)

Incorporation of tritium into body constituent molecules from tritiated water and its in vivo behaviors were studies using rats. In single administration of HTO, "3H behaviors were studied in lipids that are rich in hydrogen. Incorporation of "3H into the lipid fraction from HTO and its release differed by each organ and by the type of lipid components. Of routes of administration, the oral and parenteral routes showed same results, and no prominent difference was noted by inhalation. By consecutive administration, the urine "3H concentration showed no difference according to the route, but increased as the concentration of administered HTO increased. When administration was discontinued after the urine "3H concentration reached a plateau, the biological half-life was about 4.5 days, almost in agreement with the value by single administration. In relation to water intake, increase in the urine volume and accompanying ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

A submerged nuclear power station has been proposed as an alternative power station with a relatively low environmental impact for use by both industrialized and developing countries. The station would be placed 10 m above the seabed at a depth of 30--100 m and a distance of 10--30 km from shore. The submerged nuclear power station would be manufactured and refueled in a central facility, thus gaining the economies of factoryfabrication and the flexibility of short-lead-time deployment. To minimize the size of the submerged hull, horizontal steam generators are proposed for the primary-to-secondary heat transfer, instead of the more traditional vertical steam generators. The horizontal steam generators for SNPS would be similar in design to the horizontal steam generators used in the N-Reactors except the tube orientation is horizontal (the tube's inlet and outlet connection points on the tubesheet are at the same elevation). Previous RELAP5 input decks ...

International Nuclear Information System (INIS)

A submerged nuclear power station has been proposed as an alternative power station with a relatively low environmental impact for use by both industrialized and developing countries. The station would be placed 10 m above the seabed at a depth of 30--100 m and a distance of 10--30 km from shore. The submerged nuclear power station would be manufactured and refueled in a central facility, thus gaining the economies of factoryfabrication and the flexibility of short-lead-time deployment. To minimize the size of the submerged hull, horizontal steam generators are proposed for the primary-to-secondary heat transfer, instead of the more traditional vertical steam generators. The horizontal steam generators for SNPS would be similar in design to the horizontal steam generators used in the N-Reactors except the tube orientation is horizontal (the tube's inlet and outlet connection points on the tubesheet are at the same elevation). Previous RELAP5 input decks for ...

Energy Technology Data Exchange (ETDEWEB)

A study was undertaken of the effect of monovalent cations (Li/sup +/, Na/sup +/, K/sup +/) on the dielectric constant (epsilon) of the water-lipid interface of unilamellar phosphatidylcholine (PC) vesicles, i.e., the ester carbonyl oxygen region of the PC molecules or the neighborhood of the oxygen atoms of the phosphorylcholine moiety. epsilon was determined by reacting the free radical 1,1-diphenyl-2-picrylhydrazyl with ..cap alpha..-tocopherol incorporated in the lipid vesicles. The results are consistent with a decrease of epsilon (LiCl: 35.5 to 29.5; NaCl: 34 to 29; KCl: 33 to 29) as the concentration of the salts in the solvent media increases from 0.025 to 0.5 M. These effects can be rationalized in terms of dielectric saturation at the water-lipid interface brought about by ion-induced local electric fields. In the unilamellar PC vesicles the effect of the ions on epsilon follows the sequence K/sup +/ > Na/sup ...

Energy Technology Data Exchange (ETDEWEB)

The e.s.r. spectra of (AsPh/sub 4/)(TcNCl/sub 4/), Cs/sub 2/(TcNCl/sub 5/), (AsPh/sub 4/)(TcNBr/sub 4/), and Cs/sub 2/(TcNBr/sub 5/) have been studied in non-aqueous and concentrated aqueous acid solutions. None of the spectra shows evidence for the co-ordination of a fifth halide ligand in the trans position, even under circumstances such as a 2 000-fold excess of halide ion, which would be expected to favour the formation of the pentahalogenonitridotechnetate ion. The predominant species in solution is the tetrahalogenonitridotechnetate ion, where the trans position may be vacant or occupied by a solvent molecule in the case of the non-aqeuous solvents and by a water molecule in the case of HCl and HBr solutions. This conclusion may be contrasted with the behaviour of a number of tetra- and penta-halogeno-oxometal complexes, where the equilibrium (MOX/sub 4/)sup(n-) + X/sup -/< - - > (MOX/sub 5/)sup(n + 1)/sup -/ is ...

Science.gov (United States)

The growth of an oxide interfacial layer was recently found to increase the open-circuit voltage (OCV) and efficiency by up to 60 per cent in GaAs metal-semiconductor solar cells. Details of oxidation techniques to provide the necessary oxide thickness and chemical structure and using ozone, water-vapor-saturated oxygen, or oxygen gas discharges are described, as well as apparent crystallographic orientation effects. Preliminary results of the oxide chemistry obtained from X-ray, photoelectron spectroscopy are given. Ratios of arsenic oxide to gallium oxide of unity or less seem to be preferable. Samples with the highest OVC predominantly have As(+3) in the arsenic oxide rather than As(+5). A major difficulty at this time is a reduction in OCV by 100-200 mV when the antireflection coating is vacuum deposited.

Energy Technology Data Exchange (ETDEWEB)

An all-atom polarizable chloroform (CHCl{sub 3}) potential model has been developed using the classical molecular dynamics techniques. This potential is shown to reproduce reasonably well the structural, dynamical, and thermodynamic properties of bulk liquid CHCl{sub 3} at various temperatures and pressures. With this potential, we carried out computer simulations to investigate the CHCl{sub 3}-H{sub 2}O liquid/liquid interface. Detailed structural and electrical properties at the interface will be analyzed via the density profile, radial distribution functions, molecular orientation, hydrogen bonding, and the z-dependent dipole distributions. Comparison will also be made to the results of the CCl{sub 4}-H{sub 2}O liquid/liquid interface.

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 ...

UK PubMed Central (United Kingdom)

The purpose of this study was to investigate the extent of consumer demand for patient-oriented pharmacy services. Data, collected via a self-administered questionnaire distributed to 300 households,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

British Library Electronic Table of Contents (United Kingdom)

In this work, a highly-sensitive polymeric membrane ion selective electrode for determination of tetracycline was constructed by using molecularly imprinted polymer (MIP) particles as quasi-ionophore. The water-compatible MIP particles targeting tetracycline were synthesized with tetracycline as a template molecule, methacrylic acid as a functional monomer, ethylene glycol dimethacrylate as a cross-linker, 2,2?-azobisisobutyronitrile as an initiator and lanthanum ion as a mediator. Benefited from the distinctive performance of the quasi-ionophore and the optimized composition of the membrane and the inner filling solution, the lower detection limit of the electrode was decreased to about 1 ? 10?8 mol/l. It exhibited a good electrode slope 59.8 mV/decade near the theoretical Nernstian one, ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The /sup 252/Cf-source-driven neutron noise analysis method has been tested in a wide variety of experiments that have indicated the broad range of applicability of the method. The neutron multiplication factor k/sub eff/ has been satisfactorily detemined for a variety of materials including uranium metal, light water reactor fuel pins, fissile solutions, fuel plates in water, and interacting cylinders. For a uranyl nitrate solution tank which is typical of a fuel processing or reprocessing plant, the k/sub eff/ values were satisfactorily determined for values between 0.92 and 0.5 using a simple point kinetics interpretation of the experimental data. The short measurement times, in several cases as low as 1 min, have shown that the development of this method can lead to a practical subcriticality monitor for many in-plant applications. The further development of the method will require experiments oriented toward particular ...

DEFF Research Database (Denmark)

Udgivelsesdato: Spring

KoreaScience (Korea)

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X-ray crystal structures of L-3,4-dihydroxy-2-butanone-4-phosphate synthase from Magnaporthe grisea are reported for the E-SO{sub 4}{sup 2-}, E-{sub 4}{sup 2-}-Mg{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}-glycerol, and E-SO{sub 4}{sup 2-}-Zn{sup 2+} complexes with resolutions that extend to 1.55, 0.98, 1.60, 1.16, and 1.00 {angstrom}, respectively. Active-site residues of the homodimer are fully defined. The structures were used to model the substrate ribulose 5-phosphate in the active site with the phosphate group anchored at the sulfate site and the placement of the ribulose group guided by the glycerol site. The model includes two Mg{sup 2+} cations that bind to the oxygen substituents of the C2, C3, C4, and phosphate groups of the substrate, the side chains of Glu37 and His153, and water molecules. The position of the metal cofactors and the substrate's phosphate group are further stabilized by an ...

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 scanning electron ...

Energy Technology Data Exchange (ETDEWEB)

No-carrier-added astatine radionuclides produced in the {sup 7}Li-irradiated lead matrix were separated from bulk lead nitrate target by complexing At with insulin, followed by dialysis. The method offers simultaneous separation of At from lead as well as its complexation with insulin. The At-insulin complex might be a potential radiopharmaceutical in the treatment of hepatocellular carcinoma. The stability of At-insulin complex was checked by dialysis against deionized water and Ringer lactate (RL) solution. It has been found that the half-life of At-insulin complex is about {approx}12 h, when dialyzed against deionized water and is only 6 h, when dialyzed against RL solution having the same composition as blood serum. The 6 h half-life of this Insulin-At complex is perfect for killing cancer cells from external cell surfaces as the half-life of internalization of insulin molecule inside the cell is 7-12 h.

DEFF Research Database (Denmark)

Udgivelsesdato: 1988-Jul

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.

International Nuclear Information System (INIS)

The nuclear power industry has many applications where electrical equipment is required to operate in environments which contain high relative humidity, steam and water or chemical sprays. Equipment is susceptible to these environments by moisture entering through inherent design provisions such as O-rings and through the electrical interface. The objective of this research is to review electrical interface sealing techniques and to recommend methods for providing effective electrical interface sealing. The most common methods of sealing are the use of electrical fittings containing sealants, add-on assemblies and hardware changeout. The experience gained in several years of testing electrical interface seals on such devices as limit switches, solenoid valves and transmitters is presented to provide information on seal effectiveness and preferred application. The effectiveness of various sealing methods is discussed, each of which is dependent upon the device being ...

International Nuclear Information System (INIS)

An attempt was made to minimize the channeling tail by implantation along a random equivalent direction following a careful alignment of the target. In order to analytically determine the random equivalent directions, critical angles for channeling were mapped on a stereogram. Boron ions with energies of 17 and 45 keV are implanted along specified directions determined from the map. The depth distribution of the dopant is profiled by SIMS and the effects of water orientation upon the channeling tail are noted. Industrial common use of a 7"0 tilt is not optimum. However, implantation with the wafer tilted at 5.5 +/- 0.5"0 from the surface normal and rotated at 7.0 +/- 0.5"0 from a (100) plane shows the least channel-tail compared to implantation along other directions. Rapid thermal annealing (RTA) is a promising annealing method for shallow junction formation. Transient enhanced diffusion of implanted boron is observed. Two different mechanisms ...

Energy Technology Data Exchange (ETDEWEB)

This paper describes the comprehensive modeling method of fluid and heat flows in the hydrological system. Based upon the concept that the hydrological system is composed of the air-water 2-phase fluids, and the rock phase, various natural processes are modeled including surface/subsurface 2-phase mass transfer, heat exchanges between fluid phases, between fluid and solid phases, and sensible/latent heat exchanges on the ground surface. A field-oriented numerical simulator is developed, in which a set of governing equations is solved for different variables on the surface and in subsurface regions, respectively. Results of an experimental study are presented, in which transient formulation of heat exchange between fluid/solid phases is examined through matching of the observation and calculated performances. (author)

Energy Technology Data Exchange (ETDEWEB)

In searching modulators of immunity and hematopoiesis among natural products, being used as foods, six herbs exhibited lymphocyte proliferation in vitro, and six exhibited augmentation of hematopoietic cell growth. The combined treatments showed synergistic effects of lymphocyte proliferation and of hematopoietic cell growth. On the other hand, we found four effective oriental medicinal prescriptions, used as energy tonic or blood-building decoctions, for survival and regeneration of hematopoietic cells and for protection of stem cells of intestinal crypt in irradiated mice. On the basis of these results, extracts from combinations of herbs were made in expectation of higher effects in the three respects. In immuno modulation activity by the two combinations of herbs was confirmed in mice. In culture of bone narrow cells, growth improvement of non-adherent precursor and induction of cytokine expression by herb mixture extracts were observed. In evaluation of ...

Energy Technology Data Exchange (ETDEWEB)

Acidic constituents in crude oil are associated with the formation of stable emulsions during production and present a challenge for efficient oil recovery and processing. Acid molecules, including naphthenic acids and acidic sulfur in crude oil cause corrosion in refineries and pipelines. Naphthenic acids are also significant because of their surface activity and marginal water solubility, so that they may leach to wastewaters and cause adverse environmental effects. Acidic components of oil are not limited to carboxylic acids but also molecules that contain sulfur and nitrogen. As such, an improved understanding of the chemistry and physics of petroleum at the molecular level is needed in order to understand the range of problems associated with acidic oil components and to design better solutions. The applications of negative-ion electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry ...

UK PubMed Central (United Kingdom)

This paper describes Image Engine, an object-oriented, microcomputer-based, multimedia database designed to facilitate the storage and retrieval of digitized biomedical still images, video, and text...Full Text Available

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.).

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

In a case study of the River Lahn, Hessen, Germany, the ecological impact of effluents from sewage treatment plants was investigated. These emissions have a significant impact on the receiving water quality with ammonia, nitrite, phosphorus and the eutrophication as most important factors. Current legislation standards seem to be sufficent for the sanitation of the nitrogen load. The potential of phosphorus removal in sewage treatment plants however may not reach the demand for eutrophication abatement. Therefore, integrated and immission oriented strategies are required including in site measures of river restoration. (orig.) [Deutsch] An der hessischen Lahn wurde in einem mehrjaehrigen Forschungsvorhabens die Bedeutung von Abwasserereinleitungen aus Klaeranlagen hinsichtlich ihrer gewaesseroekologischen Relevanz untersucht. Wesentliche Belastungen beziehen sich auf die Parameter Ammonium, Nitrit und Phosphor sowie eutrophierungsbedingte ...

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))

Science.gov (United States)

Magnetic particles have become very promising materials for drug delivery. However, preparation of magnetite particles with high surface area, biocompatibility, strong magnetic response, and suitable particle size still remains a major challenge. In this report, magnetite nanocrystal clusters with high surface areas were fabricated through a solvothermal process by introducing ammonium acetate as a porogen and trisodium citrate as a surface modification agent. The porosity, which was controlled by the reactant concentration, has been investigated in detail. The surface area of the nanocrystal clusters was as high as 141?m(2) g(-1) . Ibuprofen, as a model drug, was entrapped into the magnetite carriers. The interfacial interaction between the carboxylic groups on the drug molecules and the carboxylate groups on the carriers enhanced the loading efficiency. Low cytotoxicity in MCF-7 cell and in vitro constant drug release behavior combined with the high drug loading ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

Introduced herein is microwave irradiation for the adsorption and desorption of environmental pollutants. Microwaves may be used in two ways, other than through elevation of temperature of a system as a whole with the adsorbent such as activated carbon serving as the heating medium. The first is the application by which desorption is caused to take place of specified molecules. For example, zeolite that has adsorbed water is regenerated when it is irradiated with microwaves in a stream of cooling gas. This is because only the moisture is heated since zeolite is a non-carbon adsorbent that absorbs microwaves but a little. Another case is reported in which microwaves are utilized to desorb H2S, H2O, CO, etc., from molecular sieves. In the second application, coexisting materials different in absorptivity are exposed to irradiation. The adsorption of microwave-absorbent materials is inhibited while that of the others is accelerated. For example, ...

Energy Technology Data Exchange (ETDEWEB)

The gas phase high resolution spectroscopic study of weakly bound clusters can provide the information necessary to develop an intermolecular potential energy surface. This surface can then be used to better understand condensed phases. In this work, a tunable far infrared laser spectrometer is used to study weakly bound dimers produced in the newly developed continuous planar supersonic jet expansion apparatus. The water dimer is an extensively studied hydrogen bonded dimer. It undergoes several tunneling motions which result in splittings and perturbations of the rovibrational energy levels. A review is presented of much of the experimental and theoretical work done on water dimer, including a description of the combined fit of all the high resolution spectroscopic results by Coudert and Hougen. Also included is a discussion of the measurement of the K = 1 lower {yields} K = 2 lower band performed using the tunable far infrared laser/planar ...

UK PubMed Central (United Kingdom)

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

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)

The mechanism by which mechanical force regulates the kinetics of a chemical reaction is unknown. Here, we use single-molecule force–clamp spectroscopy and protein engineering to study the effect...Full Text Available

Science.gov (United States)

... transition to couple the emitted spontaneous radiation with the ammonia molecules and thus provide more amplification [2]. ...

International Nuclear Information System (INIS)

... energy spectra inelastic scattering ion-molecule collisions mass spectrometers

CERN Document Server

Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.

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.

International Nuclear Information System (INIS)

The trifluoroacetate metal-organic decomposition route to YBa_2Cu_3O_7 film growth was investigated in order to bring new insights in the growth mechanism and its dependence on processing conditions and critical current density. Precursor films were processed on LaAlO_3 substrates at different total pressure, oxygen partial pressure, water vapor partial pressure, and volume gas flow rate keeping the growth temperature at 740 "0C. The influence of these various experimental parameters on the film growth rate, which was evaluated by in situ electrical resistance measurements, was studied thoroughly. It was found that the growth rate is nearly independent of the oxygen pressure and proportional to the square root of the water pressure. Additionally, the growth rate increases with a decrease of the total pressure or an increase of the gas flow rate. An empirical multi-exponential model simulates the experimental data, however, a better ...

Energy Technology Data Exchange (ETDEWEB)

Gas hydrates are crystalline substances composed of water and gas, in which a solid-water-lattice accommodates gas molecules in a cage-like structure. Gas hydrates are globally widespread in permafrost regions and beneath the sea in sediment of outer continental margins. While methane, propane, and other gases can be included in the clathrate structure, methane hydrates appear to be the most common in nature. The amount of methane sequestered in gas hydrates is probably enormous, but estimates are speculative and range over three orders of magnitude from about 100,000 to 270,000,000 trillion cubic feet. The amount of gas in the hydrate reservoirs of the world greedy exceeds the volume of known conventional gas reserves. Gas hydrates also represent a significant drilling and production hazard. A fundamental question linking gas hydrate resource and hazard issues is: What is the volume of gas hydrates and included gas within ...

Energy Technology Data Exchange (ETDEWEB)

Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl/sub 4//sup -/, which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO/sub 4//sup -/ by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized in dilute acid containing quaternary ammonium salts. Their UV ...

Energy Technology Data Exchange (ETDEWEB)

The quality of molecular dynamics (MD) simulations of proteins depends critically on the biomolecular force field that is used. Such force fields are defined by force-field parameter sets, which are generally determined and improved through calibration of properties of small molecules against experimental or theoretical data. By application to large molecules such as proteins, a new force-field parameter set can be validated. We report two 3.5 ns molecular dynamics simulations of hen egg white lysozyme in water applying the widely used GROMOS force-field parameter set 43A1 and a new set 45A3. The two MD ensembles are evaluated against NMR spectroscopic data NOE atom-atom distance bounds, {sup 3}J{sub NH{alpha}} and {sup 3}J{sub {alpha}}{sub {beta}} coupling constants, and {sup 1}5N relaxation data. It is shown that the two sets reproduce structural properties about equally well. The 45A3 ensemble fulfills the atom-atom ...

International Nuclear Information System (INIS)

The results of studies of the time-resolved luminescence of self-trapped excitons (STE) with different multiplicity as well as the X-ray emission in oriented BeO crystals under excitation in the vicinity of the 1 s Be photoabsorption edge are presented. The branching of the electronic excitations relaxation depends strongly on the crystal orientation after the inner-shell excitation. The common features between the processes of the STE luminescence and resonantly excited X-ray fluorescence have been discussed.

CERN Document Server

In this paper we dealt with the comparison and linking between lexical resources with domain knowledge provided by ontologies. It is one of the issues for the combination of the Semantic Web Ontologies and Text Mining. We investigated the relations between the linguistics oriented and domain-specific semantics, by associating the GO biological process concepts to the FrameNet semantic frames. The result shows the gaps between the linguistics-oriented and domain-specific semantics on the classification of events and the grouping of target words. The result provides valuable information for the improvement of domain ontologies supporting for text mining systems. And also, it will result in benefits to language understanding technology.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

This report discusses: shape coexistence in "1"8"4Pt; nuclear structure of "1"8"7Ir; g-factors of excited states; OLNO-2; and refrigerator development.

International Nuclear Information System (INIS)

The evolution of intergranular lattice strains in a textured, forged bar (Bar) sample of the #alpha# - #beta# titanium alloy Ti-6Al-4V has been characterised using in situ X-ray diffraction. A two-phase elastic-plastic self-consistent (EPSC) model has been developed to rationalise the results. Of the orientations analysed, it is found that the #left brace#2 0 0#right brace# #beta# orientation is the most compliant and that load partitions to this orientation during plasticity. The results from the bar material have then been used to predict the response of unidirectionally rolled plate (UD) Ti-6Al-4V. It is predicted that the residual lattice strains in the #left brace#101-bar0#right brace# and #left brace#112-bar0#right brace# orientations will be significantly higher in the UD material.

British Library Electronic Table of Contents (United Kingdom)

Orientation in the environment can draw on a variety of cognitive strategies. We asked 634 healthy volunteers to perform a comprehensive battery administered through an internet website (www.gettinglost.ca), testing different orientation strategies in virtual environments to determine the effect of age and gender upon these skills. Older participants (46-67years of age) performed worse than younger participants (18-30 or 31-45years of age) in all orientation skills assessed, including landmark recognition, integration of body-centered information, forming association between landmarks and body turns, and the formation and use of a cognitive map. Among all tests, however, the ability to form cognitive maps resulted to be the significant factor best at predicting the individuals' age group. ...

DEFF Research Database (Denmark)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Short communication.

Science.gov (United States)

Kinetic reaction mechanisms have a hierarchical smacture with mechanisms for complex fuels built up on sub-mechanisms for simple fuel molecules ...

UK PubMed Central (United Kingdom)

Diverse cell polarity networks require positive feedback for locally amplifying distributions of signalling molecules at the plasma membrane1. Additional...Full Text Available

Wastenet

... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...

UK PubMed Central (United Kingdom)

Gangliosides are amphiphilic molecules found in the outer layer of plasma membranes of all vertebrate...Full Text Available

International Nuclear Information System (INIS)

Anthracene-bis-resorcinol is an interesting molecule as it forms a hydrogen-bonded network when guest molecules with weak polarity are included. Focused ion beam (FIB) was irradiated on a part of its amorphous film with low dose, and the film was exposed to the vapor of guest molecules. From fluorescence and AFM analyses of this film, it was found that no inclusion compound was formed in FIB irradiated area, i.e. FIB irradiation suppresses the ability to form the inclusion compounds. By utilizing this phenomenon, we succeeded in a microfabrication of relief structures consisting of inclusion compounds which has different fluorescence from its surrounding. Morphology, fluorescence, and IR absorption analyses indicated that hydroxyl or resorcin groups are damaged by ion beams, and consequently a formation of hydrogen-bonded networks, which play a role of a lattice caging guest molecules, becomes ...

DEFF Research Database (Denmark)

Rabbit antisera raised to human and chicken MHC molecules were used to immunoprecipitate cross-reactive molecules from biosynthetically and cell surface-labeled spleen and/or blood cells of representative vertebrate species. Five major points emerged: 1) There were many nonspecific cross-reactions using these techniques, so various criteria were developed to distinguish these from true MHC-like molecules. 2) Only very small subpopulations of immunogen-specific antibodies cross-reacted with MHC-like molecules in other nonmammalian species. These subpopulations were different for each species and even within a species, sometimes being so limited as to behave like alloantisera. This led to a very scattered pattern of true cross-reactions that sometimes failed to reflect the properties of the bulk antibody population. 3) Antisera containing antibodies to class II beta- and class I alpha-chains cross-reacted ...

UK PubMed Central (United Kingdom)

BackgroundMany molecules of interest are flexible and undergo significant shape deformation as part of their function, but most existing methods of molecular shape comparison (MSC)...Full Text Available

UK PubMed Central (United Kingdom)

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

CERN Document Server

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

Carboxylesterases (CE) are ubiquitous enzymes that hydrolyze numerous ester-containing xenobiotics, including complex molecules, such as the anticancer drugs irinotecan (CPT-11) and capecitabine...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where it shows excellent ...

Energy Technology Data Exchange (ETDEWEB)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C{sub 3}H{sub 8}O), water (H{sub 2}O) and zinc acetate (Z{sub n}(CH{sub 3}CO{sub 2}){sub 2}) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(lambda) and reflectance R(lambda) spectra. Conjoint optical and ...

Energy Technology Data Exchange (ETDEWEB)

In this work a flat receiver of self construction is shown with relatively low cost and easy manufacture, but with a thermal efficiency superior to 40% for applications at temperatures less than 60 degrees Celsius, that allows satisfying international standards in this respect. The heater has been matter of study in open courses distributed in the Universidad Autonoma de la Ciudad de Mexico (UACM) oriented to that the participants construct their own system, in addition to its installation and tests. The obtained results have been excellent. The massive use of efficient solar receivers of self-construction can truly help to the decreasing of the gas discharges of greenhouse effect. [Spanish] En este trabajo se presenta un captador plano de auto construccion con relativamente bajo costo y facil manufactura, pero con un rendimiento termico superior a 40% para aplicaciones a temperatura menos de 60 grados centigrados que le permite satisfacer estandares ...

Energy Technology Data Exchange (ETDEWEB)

This report presents the results of the BMBF-sponsored project Fundamentals and models for assessing the effect of climate changes on soil, plant development and the crops of an economically significant range of farm products. Its aim was to study, by means of the results obtained for winter wheat, the dependence of plant growth on temperature, radiation and water as well as nutrient supply for other economically important crop types. Building on this, process-oriented, climate-sensitive agricultural ecosystem models for winter rye, winter barley, sugar-beet and winter intercrops were developed, verified and, in some sites, validated. First scenario calculations served to demonstrate the climate sensitivity of these models. (orig./KW) [Deutsch] Im vorliegenden Bericht werden die Ergebnisse des BMBF - Vorhabens `Grundlagen und Modelle zur Abschaetzung von Klimaaenderungen auf den Boden, die Pflanzenentwicklung sowie den verwertbaren Ernteertrag ...

International Nuclear Information System (INIS)

Planar channeling effects are studied in such well-oriented polycrystalline layers as NiSi_2 and Pb_2Si layers formed on single crystalline Si. Crystalline perfection of such layers is discussed by using the energy- and angular dependences of the axial and planar channeling yields. It has been shown that, in suitable conditions, the energy dependence of the planar yield is more sensitive to the spread of crystallite orientations in polycrystals than that of the axial one. (Auth.).

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Capacitance dispersion on the fractal carbon electrode with edge and basal orientations was investigated using atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and a.c.-impedance spectroscopy. For this purpose, four types of as-received pyrolytic graphite electrode, as-received, mechanically polished, and as-activated glassy carbon electrodes were prepared with different surface irregularities and amounts of edge orientations. The apparent self-similar fractal dimensions of the carbon electrodes were determined from the analyses of AFM images based upon triangulation method. The amounts of edge orientations on the surface of the carbon electrodes were qualitatively estimated from the XPS analysis of surface acidic functional groups that were preferably formed on the edge planes by the heat treatment of the carbon electrodes. The values of the constant phase element exponent {alpha} determined from the ...

International Nuclear Information System (INIS)

On the basis of accurate crystal structure determination, the mineral phosphuranylite corresponds to the chemical formula KCa(H_3O)_3(UO_2)_7(PO_4)_4O_4.8H_2O. Cmcm, a=15.778 (3)-15.899(2), b=13.702(2)-13.790(5), c=17.253(3)-17.330(3)A, Z=4, D_x=4.575-4.631g cm"-"3, #mu#=287.6-291.1cm"-"1. The presence of potassium (about 1.80wt%K_2O), overlooked until now, has been confirmed by microprobe analysis on samples from four different localities. The best data for structure determination have been obtained by single-crystal X-ray diffraction on specimens from Capoterra, Sardinia, and Bois Noirs, France; here 1453 and 1254 independent reflections, respectively, were used in the refinement, and the corresponding final R index is 0.036 and 0.048. The structure consists of layers of phosphate groups connected with hexagonal, pentagonal and tetragonal dipyramids centered on the U atoms. The Ca and K atoms are located within channels in the uranylphosphate framework, together with ...

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Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water molecule that is ...

International Nuclear Information System (INIS)

By means of an audio frequency plasma polymerisation ultra-thin gradient plasma polymer layers were deposited on zinc and zinc-coated iron. The aim was to generate an interfacial polymeric layer which bonds to an oxidised metal as well as to a subsequently applied organic coating and acts as an interfacial barrier layer for ions and water. Surface modifications were done in an in situ plasma cell with infrared reflection absorption spectroscopy (IRRAS). The zinc surface was first activated by an oxygen plasma to provide a freshly oxidised and contamination free oxide surface. The intermediate stages of the surface reactions could be revealed. Carbon dioxide molecules as oxidation products adsorbed on the growing zinc oxide and were desorbed at a later stage. An organosilicon plasma polymer was deposited directly on top of the oxide layer from a hexamethyldisilane (HMDS) plasma. Afterwards a cyclohexene (CHEX)/hexamethyldisilane co-plasma ...

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.

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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.

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that ...

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We compare experimental measurements of inhomogeneous plastic deformation in a Ni bicrystal with crystal-plasticity simulations. Polychromatic X-ray microdiffraction, orientation imaging microscopy and scanning electron microscopy, were used to characterize the geometrically necessary dislocation distribution of the bicrystal after uniaxial tensile deformation. Changes in the local crystallographic orientations within the sample reflect its plastic response during the tensile test. Elastic strain in both grains increases near the grain boundary. Finite element simulations were used to understand the influence of initial grain orientation and structural inhomogeneities on the geometrically-necessary dislocations arrangement and distribution and to understand the underlying materials physics.

Energy Technology Data Exchange (ETDEWEB)

The Heat Cycle Research Program, which is conducted for the Department of Energy, has as its objective the development of the technology for effecting the improved utilization of moderate temperature geothermal resources. The current testing involves the investigation of the performance of binary power cycles utilizing mixtures of non-adjacent hydrocarbons as the working fluids, with supercritical vaporization and in-tube condensation. The utilization of these concepts will improve the net geofluid effectiveness (net plant output per unit mass of geofluid) about 20% over that of a conventional binary power plant. The major prerequisite for this improvement is the achievement of integral, countercurrent condensation. Results are presented for testing of the performance of the condenser at different tube inclinations. The performance in the vertical orientation is better than in either the horizontal or inclined orientations. 7 refs., 8 figs.

Energy Technology Data Exchange (ETDEWEB)

In this paper, we have designed power system stabilizer (PSS) using object-oriented method. There are several types of power system stabilizer, A proportional-integral (PI) controller is very simple for practical implementation. Therefore it has been widely employed by the industry. The methods of obtaining the gains (Ki,Kp) of PI controller are root-locus method and sub-optimal regulator approach. But these methods are cannot be applicable to nonlinear system and faulted power system. So we proposed a new method which can be applied to nonlinear system by numerical analysis method. The method of dynamic system simulation by numerical method is very difficult and complex. We proposed flexible simulation method for complex power system analysis using object-oriented programming (OOP) and applied to PI controller design. (author). 7 refs., 14 figs., 2 tabs.

International Nuclear Information System (INIS)

... hydrology norway water pollution pollution scandinavia surface waters

UK PubMed Central (United Kingdom)

One of the requirements for a federated information system is interoperability, the ability of one computer system to access and use the resources of another system. This feature is particularly...Full Text Available

UK PubMed Central (United Kingdom)

X-ray diffuse scattering was measured from oriented stacks and unilamellar vesicles of dioleoylphosphatidylcholine lipid bilayers to obtain the temperature dependence of the structure and of the material...Full Text Available

UK PubMed Central (United Kingdom)

AbstractThe Oriental and East Palaearctic genus Hartemita Cameron, 1910 (Braconidae: Cardiochilinae) is recorded...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This report discusses: shape coexistence in {sup 184}Pt; nuclear structure of {sup 187}Ir; g-factors of excited states; OLNO-2; and refrigerator development.

Science.gov (United States)

... were erroneous. The oriental rat flea, Xenopsylla cheopis Rothschild, is considered to be the primary vector of ... laboratory and production of Weigl's exanthematous typhus vaccine. In Maintenance of hum...

Energy Technology Data Exchange (ETDEWEB)

Both (001)- and (111)-oriented CeO[sub 2] thin films have been grown on amorphous fused silica (SiO[sub 2]) substrates by ion-beam assisted pulsed laser ablation of a polycrystalline CeO[sub 2] target. Using 200 eV Ar[sup +] ions incident at 55[degree] to the substrate normal, the preferred orientation for CeO[sub 2] film growth is (001) at room temperature, but changes to (111) for temperatures [ge]300 [degree]C. Furthermore, the ion-beam assisted CeO[sub 2] films exhibit strong in-plane crystallographic alignment. In contrast, CeO[sub 2] films grown without ion-beam assistance exhibit a mixture of polycrystalline orientations with the relative amounts depending on growth temperature. Under optimum conditions, off-normal-incidence Ar[sup +] ions produce a (111)-oriented crystalline CeO[sub 2] film that is aligned with respect to a single in-plane axis, on an amorphous substrate.

UK PubMed Central (United Kingdom)

Drosophila neuroblasts divide asymmetrically by aligning their mitotic spindle with cortical cell polarity to generate distinct sibling cell types. Neuroblasts asymmetrically localize...Full Text Available

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A micro-mechanistic understanding of bone fracture thatencompasses how cracks interact with the underlying microstructure anddefines their local failure mode is lacking, despite extensive research nthe response of bone to a variety of factors like aging, loading, and/ordisease.

National Aeronautics and Space Administration (NASA)

Expedition 22 Commander Jeff Williams, aboard the International Space Station 220 miles above Earth, responds to questions posted on YouTube concerning the station's orientation, life in space and the recent butterfly experiment.

Science.gov (United States)

The lift and drag characteristics of a wide range of bluff body shapes were studied using data from sources including wind tunnel testing and flow visualization. For a given orientation of any body, it is found that its drag is strongly influenced by its ...

Energy Technology Data Exchange (ETDEWEB)

Purpose: `Exoscopic` and endoscopic identification of colorectal pathologies via MRI. Methods: 5 patients (36-88 years), two normal and three with different colorectal pathologies (diverticular disease, polyps and carcinoma of the colon), were examined by MRI after colonoscopy. Subsequent to filling of the colon with a gadolinium-water mixture under MRI-monitoring, 3D-data sets of the colon were acquired in prone and supine positions over a 28 sec breathold interval. Subsequently multiplanar T{sub 1}-weighted 2D-sequences were acquired before and following i.v. administration of Gd-DTPA (0.1 mmol/kg BW). All imaging was performed in the coronal orientation. The 3D-data were interactively analysed based on various displays: Maximum intensity projection (MIP), surface shadowed display (SSD), multiplanar reconstruction (MPR), virtual colonoscopy (VC). Results: All of the colorectal pathologies could be interactively diagnosed by MPR. On MIP images ...

Energy Technology Data Exchange (ETDEWEB)

A time-of-flight mass spectrometer has been constructed to measure the energy spectra of particles scattered by 10/sup 0/ with primary energies between 200 eV and 15 keV. The energy resolution ..delta..E/E of the system is between 0.1 and 0.4%. Energy spectra of scattered molecules and their dissociation products are shown for 570 eV H/sub 2//sup +/ and 4430 eV N/sub 2//sup +/ as projectiles. Electron capture into unbound states of the neutral molecule, with perhaps some contribution from mutual scattering within the molecule, appears to explain the observed dissociation product energy spectra peak widths.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

Science.gov (United States)

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

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

We investigate quantum mechanical electron transport along the long axis of the DNA molecule using an effective tight-binding model. The overall contour plot of transmission, the current-voltage characteristics, and the differential conductance are examined for the variation of backbone onsite energy, the energy-dependent hopping strength, and the contact coupling between the leads and the DNA molecule. It is shown that as backbone asymmetry increases, the merging and collapse of the two mini-bands take place and an extra resonance peak in the transmission appears. In addition, we present the modulation of voltage threshold in the current-voltage curves and a double-peak structure in the differential conductance due to the disappearance of the merged mini-band. Finally, in the Coulomb bloc...

Energy Technology Data Exchange (ETDEWEB)

A classical model is presented for magnetic field-induced Wigner crystallization in electron systems confined within two-dimensional quantum dots. In contrast to other classical models, this one does not treat an electron as a point charge; the electron density is assumed to take a Gaussian form corresponding to the lowest Landau level. Using a Monte Carlo method we have determined the equilibrium configurations as functions of the magnetic field. We have found a classical counterpart of the quantum maximum density droplet (MDD) and studied the breakdown of the MDD into a Wigner molecule as well as the transformations of the Wigner molecule shape induced by the external magnetic field. The phase diagram for the classical Wigner molecules has been presented and its qualitative agreement with previous quantum mechanical calculations has been shown.

International Nuclear Information System (INIS)

In the paramagnetic region T > 178 K the paramagnetic susceptibility, chi, of Dy was measured as a function of temperature and orientation of the applied magnetic field with respect to the c-axis. For magnetic fields parallel and perpendicular to the c-axis the temperature dependence of chi can be represented by Curie-Weiss laws whereas for arbitrary orientations significant deviations from a Curie-Weiss behaviour were found. The measured anisotropy of the paramagnetic Curie temperatures and of the Curie-Weiss constants is shown to depend mainly on the magnetocrystalline energy and an anisotropic g-factor. (Auth.).

Science.gov (United States)

The debate about whether or not animals have foresight has focused on whether animals can be shown to have episodic future thinking, that is the ability to travel mentally in time and see themselves in the future. This focus has distracted from consideration of other forms of foresight that animals demonstrate. We propose a framework for examining future-oriented behaviours and then discuss the evidence for future thinking in animals. In the final section we examine some perspectives of future thinking and suggest that there are future-oriented capabilities of animals that do not involve mental time travel but may yet involve future thinking which deserve further investigation. PMID:20522320

Energy Technology Data Exchange (ETDEWEB)

XVTa and XXTa nuclei were oriented at low temperature as dilute impurities in Fe. The magnetic hyperfine splitting frequencies = B sub(HF)/Ih of the XVTa and XXTa ground states have been measured to be 320.45(11) and 317.552(55) MHz by using the technique of NMR-ON. Taking the known hyperfine field of Y Ta in Fe, the magnetic moments have been deduced: ( XVTa, 7/2 ) =2.270(45) and ( XXTa, 7/2 ) =2.250(45) sub(N). These values of the magnetic moments are discussed in the framework of the rotational model.

Energy Technology Data Exchange (ETDEWEB)

This paper describes a new approach to development of software for highly integrated software-hardware systems such as used for data acquisition and control. This approach, called the Object Oriented Software Bus (OSB), is a way to develop software according to a common specification similar to the way interface hardware has been developed since the advent of bus structures for minicomputers and microcomputers. Key concept of the OSB is extension of the common use of objects to support user interface and data analysis functions to the development of software objects that directly correspond to real- world hardware interfaces and modules.

Medline Plus

English - Safe Water in an Emergency Click to Stop Video Click to Start Video To Listen to ...

UK PubMed Central (United Kingdom)

BackgroundGreen tea consumption has been shown to have cancer preventive qualities. Among the constituents of green tea, (-)-Epigallocatechin-3-O-gallate (EGCG)...Full Text Available

UK PubMed Central (United Kingdom)

Reactive oxygen species (ROS), inevitable byproducts of aerobic metabolism, are known to cause oxidative damage to cells and molecules. This, in turn, is widely accepted as a pivotal determinant of...Full Text Available

UK PubMed Central (United Kingdom)

The LW blood group antigens reside on a 42-kDa erythrocyte membrane glycoprotein that was purified by immunoaffinity and partially sequenced. From this information, a specific PCR-amplified DNA fragment...Full Text Available

UK PubMed Central (United Kingdom)

In the absence of a vaccine, there is an urgent need for the development of safe and effective topical microbicides to prevent the sexual transmission of human immunodeficiency virus type 1 (HIV-1)....Full Text Available

International Nuclear Information System (INIS)

Potassium atoms in selected high-lying np Rydberg states (80 #<=# n #<=# 400) are being used as a tool to examine electron-polar molecule collisions at ultra-low energies (#approx#80 #mu#eV - 1 meV). This energy regime has not been investigated previously and is of interest because the corresponding electron de Broglie wavelength is large, #approx#1300 - 330 Angstrom, and because the collision time is comparable to the period of molecular rotation. A variety of target molecules has been studied, including simple rotors such as HF, and more complex species such as NH_3, CH_3I, CH_2Br_2 and C_6H_5NO_2. These targets encompass a range of dipole moments and rotational behavior, but analysis of the data shows that in each case the cross section #sigma#(#epsilon#) for rotationally-inelastic electron-polar molecule scattering varies approximately as 1/#epsilon# where #epsilon# is the electron energy. Such threshold behavior ...

UK PubMed Central (United Kingdom)

The second messenger signaling molecule bis-(3′-5′)-cyclic dimeric guanosine monophosphate (c-di-GMP) regulates many processes in bacteria, including motility, pathogenesis,...Full Text Available

Science.gov (United States)

Beta silicon carbide is an excellent candidate semiconductor material for demanding applications in high power and high temperature electronic devices due to its high breakdown voltage, relatively large band gap, high thermal conductivity and high melting...

UK PubMed Central (United Kingdom)

Systemic chemotherapy has been relatively ineffective in the treatment of malignant brain tumors even though systemic chemotherapy drugs are small molecules that can readily extravasate across the porous...Full Text Available

UK PubMed Central (United Kingdom)

We have measured the forward and reverse rates of the allosteric transition of hemoglobin A with three CO molecules bound by using modulated excitation coupled with fluorescence quenching of the DPG...Full Text Available

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

Various hypotheses have been proposed to explain the molecule processes of sarcomere assembly, partially due to the lack of systematic genetic studies of sarcomeric genes in an in vivo...Full Text Available

UK PubMed Central (United Kingdom)

The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available

UK PubMed Central (United Kingdom)

To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

In this paper we study different effects of excited molecules on swarm parameters, electron energy distribution functions and gas discharge modeling. First we discuss a possible experiment in parahydrogen to resolve the discrepancy in hydrogen vibrational excitation cross section data. Negative differential conductivity (NDC) is a kinetic phenomenon which manifests itself in a particular dependence of the drift velocity on E=N and it is affected by superelastic collisions with excited states. A complete kinetic scheme for argon required to model excited state densities in gas discharges is also described. These results are used to explain experiments in capacitively and inductively coupled RF plasmas used for processing. The paper illustrates the application of atomic and molecular collision data, swarm data and the theoretical techniques in modeling of gas discharges with large abundances of excited molecules. It is pointed out that swarm ...

UK PubMed Central (United Kingdom)

The human immunodeficiency virus type 1 (HIV-1) packages its genomic RNA as a dimer of homologous RNA molecules that has to be selected among a multitude of cellular and viral RNAs. Interestingly, spliced...Full Text Available

UK PubMed Central (United Kingdom)

To analyse the binding of sugar chains to proteins, viruses and cells, the surface plasmon resonance (SPR) technique is very convenient and effective because it is a real-time, non-destructive detection...Full Text Available

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type calculations, and that taking the full potential LAPW results as a reference, the ...

UK PubMed Central (United Kingdom)

Background: CD1d belongs to a family of antigen presenting molecules that are structurally and distantly related to the classic major histocompatibility complex class I (MHC I)...Full Text Available

UK PubMed Central (United Kingdom)

The cyclohexane-1,2-diamine-based bisbinaphthyl macrocycles (S)-/(R)-5 and their cyclic and acyclic analogs are synthesized. The interactions of...Full Text Available

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

BackgroundCardiovascular disease (CVD) is a leading cause of mortality in the United States as well as globally. Epidemiological studies show that regular fruit and vegetable consumption...Full Text Available

UK PubMed Central (United Kingdom)

CSV consists of a very complex of molecules and demonstrates significant cellular activities capable of stimulating immune functions in vivo. The purpose of this study was to analyze the effects of...Full Text Available

UK PubMed Central (United Kingdom)

Antisense radiopharmaceuticals could be used to image gene expression in the brain in vivo, should these polar molecules be made transportable through the blood–brain barrier....Full Text Available

UK PubMed Central (United Kingdom)

In the cellular immune response, recognition by CTL-TCRs of viral antigens presented as peptides by HLA class I molecules, triggers destruction of the virally infected cell (Townsend, A.R.M., J. Rothbard,...Full Text Available

UK PubMed Central (United Kingdom)

Biological membranes are lamellar structures composed of two leaflets capable of supporting different mechanical stresses. Stress differences between leaflets were generated during micromechanical experiments...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.

British Library Electronic Table of Contents (United Kingdom)

Abstract Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from th...

Science.gov (United States)

The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1? u state was found to be most probable in the visible-near UV absorption range.

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

The Heat Cycle Research Program, which is being conducted for the Department of Energy, has as its objective the development of the technology for effecting the improved utilization of moderate temperature geothermal resources. To meet this objective, the program has as one of its goals to improve the performance of geothermal binary cycles to levels approaching the practicable thermodynamic maximum. In pursuit of this goal, tests are being conducted at the Heat Cycle Research Facility located at the DOE Geothermal Test Facility, East Mesa, California. The current testing involves the investigation of binary power cycle performance utilizing mixtures of non-adjacent hydrocarbons as the working fluids, with supercritical vaporization and in-tube condensation of the working fluid. In addition to the present test program, preparations are being made to investigate the binary cycle performance improvements which can be achieved by allowing supersaturated vapor expansions in the turbine. ...

Energy Technology Data Exchange (ETDEWEB)

Water-resources data for the 1993 water year for Minnesota consists of records of stage, discharge and water quality of streams; stage, contents, and water quality of lakes and reservoirs; and water levels and water quality in wells and springs. This volume contains discharge records for 58 gaging stations; stage and contents for 9 lakes and reservoirs; water quality 15 stream stations, 1 lakes station, 1 precipitation station, and water levels for 15 observation wells. Also included are 61 high-flow partial-record stations. Additional water data were collected at various sites, not part of the systematic data collection program and are pulished as miscellaneous measurements.

International Nuclear Information System (INIS)

In the National Water Plan it is described which measures must be taken to keep the Netherlands safe and livable for future generations and to make use of the chances offered by water.

Energy Technology Data Exchange (ETDEWEB)

The DGs (Diesel Generators) in NPP (Nuclear Power Plant) has been used for the emergency electric power source to shot down the nuclear reactor safety in case of station blackout. The RCM (Reliability Centered Maintenance) has been applied to DGs for increasing the safety of NPP. The structured defects of DG were not remedied by the improvement of maintenance method. As the first stage of RCM, to find the structured defect, its failure= models were searched and analyzed through the ten year maintenance information. The structured defects such as the air compressor, the lubricating oil pressure, and the insufficient load were the root causes of main failures. The air reservoir reinstallation, the lubricating oil tube modification, the load bank installation, and the qualitative instrumentation were the solutions for the hardware oriented RCM of DGs. There remains the software oriented RCM such as the rejection of useless maintenance, the ...

Energy Technology Data Exchange (ETDEWEB)

Scanning electrochemical microscopy (SECM) was applied to evaluate the heterogeneity of a passive film formed on a pure iron electrode in deaerated pH 8.4 borate solution. A probe current image of SECM was measured with a tip-generation/sub-strate-collection (TO/SC) mode in deaerated pH 8.4 borate solution containing 0.03 moldm{sup -3} Fe(CN){sub 6}{sup 4-} as a mediator. The difference in thickness of passive films formed on two iron plates at different potentials could be evaluated from the probe current image. The probe current image of the passivated iron surface with distinctive crystal grains was composed of the patch patterns, the shapes of which coincided completely with the shapes of the substrate crystal grains. The probe current flowed above the grain surface oriented to {l_brace}100{r_brace} plane was less than that above the grain surface oriented to {l_brace}110{r_brace} or {l_brace}111{r_brace} plane. The grain ...

Energy Technology Data Exchange (ETDEWEB)

Iron undergoes a polymorphic phase transformation from alpha phase (bcc) to the epsilon phase (hcp) when compressed to stresses exceeding 13 CPa. Bccause the epsilon phase is denser than the alpha phase, a single shock wave is unstable and breaks up into an elastic wave, a plastic wave, and a phase transition wave. Examination of this structured wave coupled with various phase transformation models has been used to indirectly examine the transition kinetics. Recently, multimillion atom simulations (molecular dynamics) have been used to examine the shock-induced transition in single crystal iron illustrating an orientation dependence of the transition stress, mechanisms, and kinetics. The objective of the current work was to perform plate impact experiments to examine the shock-response of polycrystalline and single crystal iron with nanosecond resolution for impact stresses spanning the {alpha} - {epsilon} transition. The current data reveal an ...

Science.gov (United States)

Prejudice against overweight people is rife. However, there is a paucity of research on the underlying reasons for it. In two studies the relationship between body image, the tendency to make physical appearance-related comparisons (PACS), and both explicit and implicit anti-fat attitudes was examined. In Study 1 (n = 227) people with a high tendency to make physical appearance-related comparisons (high PACS scorers) reported lower self-appearance evaluation, but higher appearance orientation and explicit anti-fat attitudes. The PACS fully mediated the relationship between appearance orientation and explicit anti-fat attitudes. Study 2 (n = 134) found that the PACS also mediated the relationship between appearance orientation and implicit anti-fat attitudes. Thus, individual differences in factors such as body image and the tendency to make appearance-related comparisons, appear to play a central role in both explicit and ...

Science.gov (United States)

The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in terms of CPU time. A ...

International Nuclear Information System (INIS)

Full text: Radiotherapy treatment planning (RTP) relies heavily on medical imaging. Until recently, the most important planning tool was the treatment simulator. The kilovoltage radiographic capabilities in a treatment simulator enabled the boundaries of treatment fields to be visualized with respect to bony anatomic landmarks. Perhaps the most important advance in treatment planning in recent years is the ability to visualize the passage of the beams with respect to a more accurate geometrical representation of the tumor and other soft tissue structures. This 'virtual simulation' uses a computer-based representation of a patient to determine the extent of the disease and the location of radiation sensitive normal tissue. Computer tomographic (CT) imaging produces a high-resolution three-dimensional representation of anatomy that can be correlated with other image sets such as magnetic resonance images (MRI) of function. Positron emission tomographic (PET) imaging is beginning to be ...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

International Nuclear Information System (INIS)

In this study the results of mathematical simulation and experimental research of texture transition in stress assisted shear phase transformations are discussed. The orientation distribution function (ODF) calculation model to the any type crystalline lattice symmetry materials has been suggested. By crystalline lattice symmetry analysis this computer program determines necessary amount of the initial experimental data. The experimental verification supports this model well. The ODF calculation model after shear phase transformation with equal use of all possible variants of orientation relationship or with various degrees of variant selection worked out. In this study the experimental and calculating data of the direct and reversal shear transformations #alpha# <=> #gamma# in Fe-alloys and B2 <=> B19' in Ti-Ni alloys are discussed. The stress assisted shear phase transformation model and computer program to calculate ODF after ...

Energy Technology Data Exchange (ETDEWEB)

As thin films become increasingly popular (for solar cells, LEDs, microelectronics, batteries), quantitative morphological information is needed to predict and optimize the film's electronic, optical and mechanical properties. This quantification can be obtained quickly and easily with X-ray diffraction using an area detector and synchrotron radiation in two simple geometries. In this paper, we describe a methodology for constructing complete pole figures for thin films with fiber texture (isotropic in-plane orientation). We demonstrate this technique on semicrystalline polymer films, self-assembled nanoparticle semiconductor films, and randomly-packed metallic nanoparticle films. This method can be immediately implemented to help understand the relationship between film processing and microstructure, enabling the development of better and less expensive electronic and optoelectronic devices.

Energy Technology Data Exchange (ETDEWEB)

A more complete level scheme is presented here for the decay of [sup 187]Pt, incorporating many new lines and levels up to 2.4 MeV. Emphasis has been placed on the extraction of multipole mixing ratios from nuclear orientation data. Analysis of that data, however, required a more complete understanding of the level structure (including, in particular, branching ratios, conversion coefficients, and level feedings), prompting the collection of new spectroscopy data. The low-lying, positive-parity levels are described in terms of (odd-proton) single-particle Nilsson states coupled to a triaxial core. Multipole mixing ratios are compared to those calculated in the Particle-Plus-Triaxial-Rotor Model. (orig.).

International Nuclear Information System (INIS)