Membrane proteins make up a diverse and important subset of proteins for which structural information is limited. In this study, chemical cross-linking and mass spectrometry were used to explore the structure of the G-protein-coupled photoreceptor bovine rhodopsin in the dark-state conformation. All experiments were performed in rod outer segment membranes using amino acid 'handles' in the native protein sequence and thus minimizing perturbations to the native protein structure. Cysteine and lysine residues were covalently cross-linked using commercially available reagents with a range of linker arm lengths. Following chemical digestion of cross-linked protein, cross-linked peptides were identified by accurate mass measurement using liquid chromatography-fourier transform mass spectrometry and an automated data analysis pipeline. Assignments were confirmed and, if necessary, resolved, by tandem MS. The relative reactivity of lysine residues participating in cross-links was evaluated by labeling with NHS-esters. A distinct pattern of cross-link formation within the C-terminal domain, and between loop I and the C-terminal domain, emerged. Theoretical distances based on cross-linking were compared to inter-atomic distances determined from the energy-minimized X-ray crystal structure and Monte Carlo conformational search procedures. In general, the observed cross-links can be explained by re-positioning participating side-chains without significantly altering backbone structure. One exception, between C3 …

Ultra supercritical (USC) power plants offer the promise of higher efficiencies and lower emissions. Current goals of the U.S. Department of Energy’s Advanced Power Systems Initiatives include coal generation at 60% efficiency, which would require steam temperatures of up to 760°C. This research examines the steamside oxidation of alloys for use in USC systems, with emphasis placed on applications in high- and intermediate-pressure turbines.

Pendeo-epitaxy has been applied to nonpolar a-plane GaN layers in order to observe if such process will lead to defect reduction in comparison with direct growth on this plane. Uncoalesced and coalesced a-plane GaN layers with thicknesses 2{micro}m and 12{micro}m, respectively have been studied by conventional and high resolution electron microscopy. The following structural defects have been observed in pendeo-epitaxial layers: (1) basal stacking faults, (2) threading dislocations and (3) prismatic stacking faults. Drastic decrease of threading dislocation density and stacking faults have been observed in 'wing' areas with respect to 'seed' areas. Cross-section images reveal cracks and voids at the areas where two coalesced wings meet each other. High resolution electron microscopy shows that the majority of stacking faults are low-energy planar defects of the types I{sub 1}, I{sub 2} and I{sub 3}. The I{sub 3} type basal stacking fault, predicted theoretically, has been observed experimentally for the first time.

The authors show how models of neutrino masses and mixings can be differentiated on the basis of their predictions for {theta}{sub 13} and lepton flavor violation in radiative charged lepton decays and {mu} - e conversion. They illustrate the lepton flavor violation results for five predictive SO(10) SUSY GUT models and point out the relative importance of their heavy right-handed neutrino mass spectra and {theta}{sub 13} predictions.

For nearly 40 years, aerial radiological search and survey missions have been performed by the United States Department of Energy's (USDOE) Remote Sensing Laboratory (RSL). Originally created in 1967 as Aerial Measurement Operations (AMO), the AMS mission has expanded to include acquiring baseline measurements, performing periodic area monitoring, and responding to radiological emergencies. In an accident scenario, AMS fixed-wing and/or rotary-wing systems can be deployed to map radiological deposition. A fixed-wing system is on standby twenty-fours per day, seven days per week and can be deployed within four hours of notification. It can quickly evaluate high levels of radiation which may constitute immediate health risks. To accomplish its mission the fixed-wing aircraft utilizes the Spectral Aerial Radiological Computer System (SPARCS) which records gross count and spectral information. Data from SPARCS is telemetered to ground stations and secure websites where it can be viewed and evaluated in near-real time. The rotary-wing system deploys following the critical phase of an accident and supports the DOE's Consequence Management Response Team (CMRT) in determining long term consequences of the accident. The rotary wing aircraft utilizes the Radiation and Environmental Data Acquisition and Recording System (REDAR). A 25-liter sodium iodide (NaI) spectral system and precise …

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Compositional data are represented as vector variables with individual vector components ranging between zero and a positive maximum value representing a constant sum constraint, usually unity (or 100 percent). The earth sciences are flooded with spatial distributions of compositional data, such as concentrations of major ion constituents in natural waters (e.g. mole, mass, or volume fractions), mineral percentages, ore grades, or proportions of mutually exclusive categories (e.g. a water-oil-rock system). While geostatistical techniques have become popular in earth science applications since the 1970s, very little attention has been paid to the unique mathematical properties of geostatistical formulations involving compositional variables. The book 'Geostatistical Analysis of Compositional Data' by Vera Pawlowsky-Glahn and Ricardo Olea (Oxford University Press, 2004), unlike any previous book on geostatistics, directly confronts the mathematical difficulties inherent to applying geostatistics to compositional variables. The book righteously justifies itself with prodigious referencing to previous work addressing nonsensical ranges of estimated values and error, spurious correlation, and singular cross-covariance matrices.

Vacuum studies of metal single crystal surfaces using electron and molecular beam scattering revealed that the surface atoms relocate when the surface is clean (reconstruction) and when it is covered by adsorbates (adsorbate induced restructuring). It was also discovered that atomic steps and other low coordination surface sites are active for breaking chemical bonds (H-H, O=O, C-H, C=O and C-C) with high reaction probability. Investigations at high reactant pressures using sum frequency generation (SFG)--vibrational spectroscopy and high pressure scanning tunneling microscopy (HPSTM) revealed bond breaking at low reaction probability sites on the adsorbate-covered metal surface, and the need for adsorbate mobility for continued turnover. Since most catalysts (heterogeneous, enzyme and homogeneous) are nanoparticles, colloid synthesis methods were developed to produce monodispersed metal nanoparticles in the 1-10 nm range and controlled shapes to use them as new model catalyst systems in two-dimensional thin film form or deposited in mesoporous three-dimensional oxides. Studies of reaction selectivity in multipath reactions (hydrogenation of benzene, cyclohexene and crotonaldehyde) showed that reaction selectivity depends on both nanoparticle size and shape. The oxide-metal nanoparticle interface was found to be an important catalytic site because of the hot electron flow induced by exothermic reactions like carbon monoxide oxidation.

Stainless steels are used for the construction of numerous spent nuclear fuel or radioactive material containers that may be subjected to high strains and moderate strain rates during accidental drop events. Mechanical characteristics of these base materials and their welds under dynamic loads in the strain rate range of concern (1 to 300 per second) are not well documented. However, research is being performed at the Idaho National Laboratory to quantify these characteristics. The work presented herein discusses tensile impact testing of dual-marked 304/304L and 316/316L stainless steel material specimens. Both base material and welded material specimens were tested at -20 oF, room temperature, 300 oF, and 600 oF conditions. Utilizing a drop weight impact test machine and 1/4-inch and 1/2-inch thick dog bone-shaped test specimens, a strain rate range of approximately 4 to 40 per second (depending on initial temperature conditions) was achieved. Factors were determined that reflect the amount of increased strain energy the material can absorb due to strain rate effects. Using the factors, elevated true stress-strain curves for these materials at various strain rates and temperatures were generated. By incorporating the strain rate elevated true stress-strain material curves into an inelastic finite element computer program as …

This program was organized to focus on materials development issues critical to the acceleration of solid-state lighting, and was split into three major thrust areas: (1) study of dislocation density reduction for GaN grown on sapphire using 'cantilever epitaxy', and the impact of dislocation density on the performance of state-of-the-art high-power LEDs; (2) the evaluation of in situ techniques for monitoring gas phase chemistry and the properties of GaN-based layers during metal-organic vapor phase epitaxy (MOCVD), and (3) feasibility for using semiconductor nanoparticles ('quantum dots') for the down-conversion of blue or ultraviolet light to generate white light. The program included a partnership between Lumileds Lighting (epitaxy and device fabrication for high power LEDs) and Sandia National Laboratories (cantilever epitaxy, gas phase chemistry, and quantum dot synthesis). Key findings included: (1) cantilever epitaxy can provide dislocation density reduction comparable to that of more complicated approaches, but all in one epitaxial growth step; however, further improvements are required to realize significant gains in LED performance at high drive currents, (2) in situ tools can provide detailed knowledge about gas phase chemistry, and can be used to monitor and control epitaxial layer composition and temperature to provide improved yields (e.g., a fivefold increase …

The project objective is to study structure-property relations in solid solutions of nitrides and oxides with surrogate elements to simulate the behavior of fuels of inert matrix fuels of interest to the Advanced Fuel Cycle Initiative (AFCI), with emphasis in zirconium-based materials. Work with actual fuels will be carried out in parallel in collaboration with Los Alamos National Laboratory (LANL). Three key aspects will be explored: microstructure characterization through measurement of global texture evolution and local crystallographic variations using Electron Backscattering Diffraction (EBSD); determination of mechanical properties, including fracture toughness, quasi-static compression strength, and hardness, as functions of load and temperature, and, finally, development of structure-property relations to describe mechanical behavior of the fuels based on experimental data. Materials tested will be characterized to identify the mechanisms of deformation and fracture and their relationship to microstructure and its evolution. New aspects of this research are the inclusion of crystallographic information into the evaluation of fuel performance and the incorporation of statistical variations of microstructural variables into simplified models of mechanical behavior of fuels that account explicitly for these variations. The work is expected to provide insight into processing conditions leading to better fuel performance and structural reliability during manufacturing and …

We present fabrication and characterization of a membrane based on carbon nanotubes (CNTs) and parylene. Carbon nanotubes have shown orders of magnitude enhancement in gas and water permeability compared to estimates generated by conventional theories [1, 2]. Large area membranes that exhibit flux enhancement characteristics of carbon nanotubes may provide an economical solution to a variety of technologies including water desalination [3] and gas sequestration [4]. We report a novel method of making carbon nanotube-based, robust membranes with large areas. A vertically aligned dense carbon nanotube array is infiltrated with parylene. Parylene polymer creates a pinhole free transparent film by exhibiting high surface conformity and excellent crevice penetration. Using this moisture-, chemical- and solvent-resistant polymer creates carbon nanotube membranes that promise to exhibit high stability and biocompatibility. CNT membranes are formed by releasing a free-standing film that consists of parylene-infiltrated CNTs, followed by CNT uncapping on both sides of the composite material. Thus fabricated membranes show flexibility and ductility due to the parylene matrix material, as well as high permeability attributed to embedded carbon nanotubes. These membranes have a potential for applications that may require high flux, flexibility and durability.

We present a new sample of 4634 eclipsing binary stars in the Large Magellanic Cloud (LMC), expanding on a previous sample of 611 objects and a new sample of 1509 eclipsing binary stars in the Small Magellanic Cloud (SMC), that were identified in the light curve database of the MACHO project. We perform a cross correlation with the OGLE-II LMC sample, finding 1236 matches. A cross correlation with the OGLE-II SMC sample finds 698 matches. We then compare the LMC subsamples corresponding to center and the periphery of the LMC and find only minor differences between the two populations. These samples are sufficiently large and complete that statistical studies of the binary star populations are possible.

This paper reports on the global potential for carbonsequestration in forest plantations, and the reduction of carbonemissions from deforestation, in response to six carbon price scenariosfrom 2000 to 2100. These carbon price scenarios cover a range typicallyseen in global integrated assessment models. The world forest sector wasdisaggregated into tenregions, four largely temperate, developedregions: the European Union, Oceania, Russia, and the United States; andsix developing, mostly tropical, regions: Africa, Central America, China,India, Rest of Asia, and South America. Three mitigation options -- long-and short-rotation forestry, and the reduction of deforestation -- wereanalyzed using a global dynamic partial equilibrium model (GCOMAP). Keyfindings of this work are that cumulative carbon gain ranges from 50.9 to113.2 Gt C by 2100, higher carbon prices early lead to earlier carbongain and vice versa, and avoided deforestation accounts for 51 to 78percent of modeled carbon gains by 2100. The estimated present value ofcumulative welfare change in the sector ranges from a decline of $158billion to a gain of $81 billion by 2100. The decline is associated witha decrease in deforestation.

We report a rapid and robust separation of Saccharomyces cerevisiae and MS2 bacteriophage using acoustic focusing in a microfluidic device. A piezoelectric transducer (PZT) generates acoustic standing waves in the microchannel. These standing waves induce acoustic radiation force fields that direct microparticles towards the nodes (i.e., pressure minima) or the anti-nodes (i.e., pressure maxima) of the standing waves depending on the relative compressidensity between the particle and the suspending liquid.[1] For particles larger than 2 {micro}m, the transverse velocities generated by these force fields enable continuous, high throughput separation. Extensive work in the last decade [2-4] has demonstrated acoustic focusing for manipulating microparticles or biological samples in microfluidic devices. This prior work has primarily focused on experimental realization of acoustic focusing without modeling or with limited one-dimensional modeling estimates. We recently developed a finite element modeling tool to predict the two-dimensional acoustic radiation force field perpendicular to the flow direction in microfluidic devices.[1] Here we compare results from this model with experimental parametric studies including variations of the PZT driving frequencies and voltages as well as various particle sizes and compressidensities. These experimental parametric studies also provide insight into the development of an adjustable 'virtual' pore-size filter as well as …

We report Raman and infrared absorption spectroscopy alongwith X-ray diffraction for brucite-type beta-Cd(OH)2 to 28 GPa at 300 K.The OH-stretching modes soften with pressure and disappear at 21 GPa withtheir widths increasing rapidly above 5 GPa, consistent with a gradualdisordering of the H sublattice at 5 20 GPa similar to that previouslyobserved for Co(OH)2.Asymmetry in the peak shapes of the OH-stretchingmodes suggests the existence of diverse disordered sitesfor H atoms inCd(OH)2 under pressure. Above 15 GPa, the A1g(T) lattice mode showsnon-linear behavior and softens to 21 GPa, at which pressure significantchanges are observed: new Raman modes appear, two Raman-active latticemodes and the OH-stretching modes of the low-pressure phase disappears,and the positions of some X-ray diffraction lines change abruptly withthe appearance of weak new diffraction features. These observationssuggest that amorphization of the H sublattice is accompanied by acrystalline-to-crystalline transition at 21 GPa in Cd(OH)2, which has notbeen previously observed in the brucite-type hydroxides. The Ramanspectra of the high-pressure phase of Cd(OH)2 is similar to those of thehigh-pressure phase of single-crystal Ca(OH)2 of which structure has beententatively assigned to the Sr(OH)2 type.

Surface waves were generated by the North Korean nuclear explosion of 9 October 2006 and recorded at epicentral distances up to 34 degrees, from which we estimated a surface wave magnitude (M{sub s}) of 2.94 with an interstation standard deviation of 0.17 magnitude units. The International Data Centre estimated a body wave magnitude (m{sub b}) of 4.1. This is the only explosion we have analyzed that was not easily screened as an explosion based on the differences between the M{sub s} and m{sub b} estimates. Additionally, this M{sub s} predicts a yield, based on empirical M{sub s}/Yield relationships, that is almost an order of magnitude larger then the 0.5 to 1 kiloton reported for this explosion. We investigate how emplacement medium effects on surface wave moment and magnitude may have contributed to the yield discrepancy.

This Final Technical Report summarizes the research and development (R&D) work performed by Stolar Research Corporation (Stolar) under U.S. Department of Energy (DOE) Contract Number DE-FC26-04NT15477. This work involved the development of radar navigation and radio data transmission systems for integration with microhole coiled tubing bottom hole assemblies. Under this contract, Stolar designed, fabricated, and laboratory and field tested two advanced technologies of importance to the future growth of the U.S. oil and gas industry: (1) real-time measurement-while-drilling (MWD) for guidance and navigation of coiled tubing drilling in hydrocarbon reservoirs and (2) two-way inductive radio data transmission on coiled tubing for real-time, subsurface-to-surface data transmission. The operating specifications for these technologies are compatible with 3.5-inch boreholes drilled to a true vertical depth (TVD) of 5,000 feet, which is typical of coiled tubing drilling applications. These two technologies (i.e., the Stolar Data Transmission System and Drill String Radar) were developed into pre-commercial prototypes and tested successfully in simulated coiled tubing drilling conditions. Integration of these two technologies provides a real-time geosteering capability with extremely quick response times. Stolar is conducting additional work required to transition the Drill String Radar into a true commercial product. The results of this advanced development work …

Fermilab is presently in Run II collider operations and is developing instrumentation to improve luminosity. Improving the orbit matching between accelerator components using a Beam Line Tuner (BLT) can improve the luminosity. Digital Down Conversion (DDC) has been proposed as a method for making more accurate beam position measurements. Fermilab has implemented a BLT system using a DDC technique to measure orbit oscillations during injections from the Main Injector to the Tevatron. The output of a fast ADC is downconverted and filtered in software. The system measures the x and y positions, the intensity, and the time of arrival for each proton or antiproton bunch, on a turn-by-turn basis, during the first 1024 turns immediately following injection. We present results showing position, intensity, and time of arrival for both injected and coasting beam. Initial results indicate a position resolution of {approx}20 to 40 microns and a phase resolution of {approx}25 ps.

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This report summarizes results of a literature review, a workshop, and many meetings with demand response and thermostat researchers and implementers. The information obtained from these resources was used to identify key issues of thermostat performance from both energy savings and peak demand perspectives. A research plan was developed to address these issues and activities have already begun to pursue the research agenda.

This report documents the identification of key barriers in the development of an adequate national security workforce as part of the National Security Preparedness Project, being performed under a Department of Energy/National Nuclear Security Administration grant. Many barriers exist that prevent the development of an adequate number of propertly trained national security personnel. Some barriers can be eliminated in a short-term manner, whereas others will involve a long-term strategy that takes into account public policy.

Oxide dispersion strengthened (ODS) molybdenum has been characterized using transmission electron microscopy (TEM) to determine the effects of irradiation on material microstructure. This work describes the results-to-date from TEM characterization of unirradiated and irradiated ODS molybdenum. The general microstructure of the unirradiated material consists of fine molybdenum grains (< 5 {micro}m average grain size) with numerous low angle boundaries and isolated dislocation networks. 'Ribbon'-like lanthanum oxides are aligned along the working direction of the product form and are frequently associated with grain boundaries, serving to inhibit grain boundary and dislocation movement. In addition to the 'ribbons', discrete lanthanum oxide particles have also been detected. After irradiation, the material is characterized by the presence of nonuniformly distributed large ({approx} 20 to 100 nm in diameter), multi-faceted voids, while the molybdenum grain size and oxide morphology appear to be unaffected by irradiation.

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