A Clear Success for International Transport of Plutonium and MOX Fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blachet, L.; Jacot, P.; Bariteau, J.P.

2006-07-01

An Agreement between the United States and Russia to eliminate 68 metric tons of surplus weapons-grade plutonium provided the basis for the United States government and its agency, the Department of Energy (DOE), to enter into contracts with industry leaders to fabricate mixed oxide (MOX) fuels (a blend of uranium oxide and plutonium oxide) for use in existing domestic commercial reactors. DOE contracted with Duke, COGEMA, Stone and Webster (DCS), a limited liability company comprised of Duke Energy, COGEMA Inc. and Stone and Webster to design a Mixed Oxide Fuel Fabrication Facility (MFFF) which would be built and operated atmore » the DOE Savannah River Site (SRS) near Aiken, South Carolina. During this same time frame, DOE commissioned fabrication and irradiation of lead test assemblies in one of the Mission Reactors to assist in obtaining NRC approval for batch implementation of MOX fuel prior to the operations phase of the MFFF facility. On February 2001, DOE directed DCS to initiate a pre-decisional investigation to determine means to obtain lead assemblies including all international options for manufacturing MOX fuels. This lead to implementation of the EUROFAB project and work was initiated in earnest on EUROFAB by DCS on November 7, 2003. (authors)« less

Mixed Oxide Fresh Fuel Package Auxiliary Equipment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yapuncich, F.; Ross, A.; Clark, R.H.

2008-07-01

The United States Department of Energy's National Nuclear Security Administration (NNSA) is overseeing the construction the Mixed Oxide (MOX) Fuel Fabrication Facility (MFFF) on the Savannah River Site. The new facility, being constructed by NNSA's contractor Shaw AREVA MOX Services, will fabricate fuel assemblies utilizing surplus plutonium as feedstock. The fuel will be used in designated commercial nuclear reactors. The MOX Fresh Fuel Package (MFFP), which has recently been licensed by the Nuclear Regulatory Commission (NRC) as a type B package (USA/9295/B(U)F-96), will be utilized to transport the fabricated fuel assemblies from the MFFF to the nuclear reactors. It wasmore » necessary to develop auxiliary equipment that would be able to efficiently handle the high precision fuel assemblies. Also, the physical constraints of the MFFF and the nuclear power plants require that the equipment be capable of loading and unloading the fuel assemblies both vertically and horizontally. The ability to reconfigure the load/unload evolution builds in a large degree of flexibility for the MFFP for the handling of many types of both fuel and non fuel payloads. The design and analysis met various technical specifications including dynamic and static seismic criteria. The fabrication was completed by three major fabrication facilities within the United States. The testing was conducted by Sandia National Laboratories. The unique design specifications and successful testing sequences will be discussed. (authors)« less

Chemical interaction matrix between reagents in a Purex based process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brahman, R.K.; Hennessy, W.P.; Paviet-Hartmann, P.

2008-07-01

The United States Department of Energy (DOE) is the responsible entity for the disposal of the United States excess weapons grade plutonium. DOE selected a PUREX-based process to convert plutonium to low-enriched mixed oxide fuel for use in commercial nuclear power plants. To initiate this process in the United States, a Mixed Oxide (MOX) Fuel Fabrication Facility (MFFF) is under construction and will be operated by Shaw AREVA MOX Services at the Savannah River Site. This facility will be licensed and regulated by the U.S. Nuclear Regulatory Commission (NRC). A PUREX process, similar to the one used at La Hague,more » France, will purify plutonium feedstock through solvent extraction. MFFF employs two major process operations to manufacture MOX fuel assemblies: (1) the Aqueous Polishing (AP) process to remove gallium and other impurities from plutonium feedstock and (2) the MOX fuel fabrication process (MP), which processes the oxides into pellets and manufactures the MOX fuel assemblies. The AP process consists of three major steps, dissolution, purification, and conversion, and is the center of the primary chemical processing. A study of process hazards controls has been initiated that will provide knowledge and protection against the chemical risks associated from mixing of reagents over the life time of the process. This paper presents a comprehensive chemical interaction matrix evaluation for the reagents used in the PUREX-based process. Chemical interaction matrix supplements the process conditions by providing a checklist of any potential inadvertent chemical reactions that may take place. It also identifies the chemical compatibility/incompatibility of the reagents if mixed by failure of operations or equipment within the process itself or mixed inadvertently by a technician in the laboratories. (aut0010ho.« less

Hybrid Gama Emission Tomography (HGET): FY16 Annual Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Erin A.; Smith, Leon E.; Wittman, Richard S.

2017-02-01

Current International Atomic Energy Agency (IAEA) methodologies for the verification of fresh low-enriched uranium (LEU) and mixed oxide (MOX) fuel assemblies are volume-averaging methods that lack sensitivity to individual pins. Further, as fresh fuel assemblies become more and more complex (e.g., heavy gadolinium loading, high degrees of axial and radial variation in fissile concentration), the accuracy of current IAEA instruments degrades and measurement time increases. Particularly in light of the fact that no special tooling is required to remove individual pins from modern fuel assemblies, the IAEA needs new capabilities for the verification of unirradiated (i.e., fresh LEU and MOX)more » assemblies to ensure that fissile material has not been diverted. Passive gamma emission tomography has demonstrated potential to provide pin-level verification of spent fuel, but gamma-ray emission rates from unirradiated fuel emissions are significantly lower, precluding purely passive tomography methods. The work presented here introduces the concept of Hybrid Gamma Emission Tomography (HGET) for verification of unirradiated fuels, in which a neutron source is used to actively interrogate the fuel assembly and the resulting gamma-ray emissions are imaged using tomographic methods to provide pin-level verification of fissile material concentration.« less

Prise en compte d'un couplage fin neutronique-thermique dans les calculs d'assemblage pour les reacteurs a eau pressurisee

NASA Astrophysics Data System (ADS)

Greiner, Nathan

Core simulations for Pressurized Water Reactors (PWR) is insured by a set of computer codes which allows, under certain assumptions, to approximate the physical quantities of interest, such as the effective multiplication factor or the power or temperature distributions. The neutronics calculation scheme relies on three great steps : -- the production of an isotopic cross-sections library ; -- the production of a reactor database through the lattice calculation ; -- the full-core calculation. In the lattice calculation, in which Boltzmann's transport equation is solved over an assembly geometry, the temperature distribution is uniform and constant during irradiation. This represents a set of approximations since, on the one hand, the temperature distribution in the assembly is not uniform (strong temperature gradients in the fuel pins, discrepancies between the fuel pins) and on the other hand, irradiation causes the thermal properties of the pins to change, which modifies the temperature distribution. Our work aims at implementing and introducing a neutronics-thermomechanics coupling into the lattice calculation to finely discretize the temperature distribution and to study its effects. To perform the study, CEA (Commissariat a l'Energie Atomique et aux Energies Alternatives) lattice code APOLLO2 was used for neutronics and EDF (Electricite De France) code C3THER was used for the thermal calculations. We show very small effects of the pin-scaled coupling when comparing the use of a temperature profile with the use of an uniform temperature over UOX-type and MOX-type fuels. We next investigate the thermal feedback using an assembly-scaled coupling taking into account the presence of large water gaps on an UOX-type assembly at burnup 0. We show the very small impact on the calculation of the hot spot factor. Finally, the coupling is introduced into the isotopic depletion calculation and we show that reactivity and isotopic number densities deviations remain small albeit not negligible for UOX-type and MOX-type assemblies. The specific behavior of gadolinium-stuffed fuel pins in an UO2Gd2O 3-type assembly is highlighted.

IMPACT OF FISSION PRODUCTS IMPURITY ON THE PLUTONIUM CONTENT IN PWR MOX FUELS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilles Youinou; Andrea Alfonsi

2012-03-01

This report presents the results of a neutronics analysis done in response to the charter IFCA-SAT-2 entitled 'Fuel impurity physics calculations'. This charter specifies that the separation of the fission products (FP) during the reprocessing of UOX spent nuclear fuel assemblies (UOX SNF) is not perfect and that, consequently, a certain amount of FP goes into the Pu stream used to fabricate PWR MOX fuel assemblies. Only non-gaseous FP have been considered (see the list of 176 isotopes considered in the calculations in Appendix 1). This mixture of Pu and FP is called PuFP. Note that, in this preliminary analysis,more » the FP losses are considered element-independent, i.e., for example, 1% of FP losses mean that 1% of all non-gaseous FP leak into the Pu stream.« less

Opportunities for the Multi Recycling of Used MOX Fuel in the US - 12122

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, P.; Bailly, F.; Bouvier, E.

Over the last 50 years the US has accumulated an inventory of used nuclear fuel (UNF) in the region of 64,000 metric tons in 2010, and adds an additional 2,200 metric tons each year from the current fleet of 104 Light Water Reactors. This paper considers a fuel cycle option that would be available for a future pilot U.S. recycling plant that could take advantage of the unique opportunities offered by the age and size of the large U.S. UNF inventory. For the purpose of this scenario, recycling of UNF must use the available reactor infrastructure, currently LWR's, and themore » main product of recycling is considered to be plutonium (Pu), recycled into MOX fuel for use in these reactors. Use of MOX fuels must provide the service (burn-up) expected by the reactor operator, with the required level of safety. To do so, the fissile material concentration (Pu-239, Pu-241) in the MOX must be high enough to maintain criticality, while, in current recycle facilities, the Pu-238 content has to be kept low enough to prevent excessive heat load, neutron emission, and neutron capture during recycle operations. In most countries, used MOX fuel (MOX UNF) is typically stored after one irradiation in an LWR, pending the development of the GEN IV reactors, since it is considered difficult to directly reuse the recycled MOX fuel in LWRs due to the degraded Pu fissile isotopic composition. In the US, it is possible to blend MOX UNF with LEUOx UNF from the large inventory, using the oldest UNF first. Blending at the ratio of about one MOX UNF assembly with 15 LEUOx UNF assemblies, would achieve a fissile plutonium concentration sufficient for reirradiation in new MOX fuel. The Pu-238 yield in the new fuel will be sufficiently low to meet current fuel fabrication standards. Therefore, it should be possible in the context of the US, for discharged MOX fuel to be recycled back into LWR's, using only technologies already industrially deployed worldwide. Building on that possibility, two scenarios are assessed where current US inventory is treated; Pu recycled in LWR MOX fuels, and used MOX fuels themselves are treated in a continuous partitioning-transmutation mode (case 2a) or until the whole current UNF inventory (64,000 MT in 2010) has been treated followed by disposal of the MOX UNF to a geologic repository (case 2b). In the recycling scenario, two cases (2a and 2b) are considered. Benefits achieved are compared with the once through scenario (case 1) where UNF in the current US inventory are disposed directly to a geologic repository. For each scenario, the heat load and radioactivity of the high activity wastes disposed to a geologic repository are calculated and the savings in natural resources quantified, and compared with the once-through fuel cycle. Assuming an initial pilot recycling facility with a capacity of 800 metric tons a year of heavy metal begins operation in 2030, ∼8 metric tons per year of Pu is recovered from the LEUOx UNF inventory, and is used to produce fresh MOX fuels. At a later time, additional treatment and recycling capacities are assumed to begin operation, to accommodate blending and recycling of used MOX Pu, up to 2,400 MT/yr treatment capacity to enable processing UNF slightly faster than the rate of generation. Results of this scenario analysis study show the flexibility of the recycling scenarios so that Pu is managed in a way that avoids accumulating used MOX fuels. If at some future date, the decision is made to dispose of the MOX UNF to a geologic repository (case 2b), the scenario is neutral to final repository heat load in comparison to the direct disposal of all UNF (case 1), while diminishing use of natural uranium, enrichment, UNF accumulation, and the volume of HLW. Further recycling of Pu at the end of the scenario (case 2a) would exhibit further benefits. As expected, Pu-241 and Am-241 are the source of long term HLW heat load and Am-241 and Np-237 are the source of long term radiotoxicity. When advanced technology is available, introduction of minor actinide recycling, in addition to Pu recycling, by the end of this scenario, or sooner, would have a major impact on final repository heat load and long term radiotoxicity of the HLW. This scenario is also compatible with a gradual introduction of a small number of FR's for Pu management. (authors)« less

Sensitivity and Uncertainty Analysis of the GFR MOX Fuel Subassembly

NASA Astrophysics Data System (ADS)

Lüley, J.; Vrban, B.; Čerba, Š.; Haščík, J.; Nečas, V.; Pelloni, S.

2014-04-01

We performed sensitivity and uncertainty analysis as well as benchmark similarity assessment of the MOX fuel subassembly designed for the Gas-Cooled Fast Reactor (GFR) as a representative material of the core. Material composition was defined for each assembly ring separately allowing us to decompose the sensitivities not only for isotopes and reactions but also for spatial regions. This approach was confirmed by direct perturbation calculations for chosen materials and isotopes. Similarity assessment identified only ten partly comparable benchmark experiments that can be utilized in the field of GFR development. Based on the determined uncertainties, we also identified main contributors to the calculation bias.

Genetics of bacteria that oxidize one-carbon compounds. Progress report, March 1, 1991--June 30, 1993

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanson, R.S.

In the past several years researchers have identified at least 20 genes whose products were required for the oxidation of methanol to formaldehyde in three different facultative methylotrophic bacteria. These genes include structural genes for a cytochrome c{sub L} (mox G) and is a specific electron acceptor for methanol dehydrogenase (MDH), and the two structural genes that encode the large subunit (mox F) and smaller subunit (mox I) of MDH. Other genes are required for the synthesis of the prosthetic group of MDH, Pyrroloquinoline quinone (PQQ), and proteins required for assembly of the active MDH in the periplasm. Three genesmore » are believed to be required for incorporation of calcium into the MDH tetramer. The principal investigator`s group has studied the regulation of methanol oxidation in the pink-pigmented-facultative methylotroph Methylobacterium organophilum XX. The authors have mapped several genes and have sequenced the mox F gene and sequences upstream of mox F. The authors had tentatively identified several genes required for the transcription of the MDH structural genes in three methylotrophs. In the previous proposal, the P.I. proposed to establish an in-vitro transcription/translation system to study the function of the regulatory gene products. Further studies demonstrated that the regulation of transcription of these genes was far more complex than imagined at that time and the research plan was modified to determine the number and function of the regulatory genes using genetic approaches.« less

Reactor physics behavior of transuranic-bearing TRISO-particle fuel in a pressurized water reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, M. A.; Sen, R. S.; Ougouag, A. M.

2012-07-01

Calculations have been performed to assess the neutronic behavior of pins of Fully-Ceramic Micro-encapsulated (FCM) fuel in otherwise-conventional Pressurized Water Reactor (PWR) fuel pins. The FCM fuel contains transuranic (TRU) - only oxide fuel in tri-isotropic (TRISO) particles with the TRU loading coming from the spent fuel of a conventional LWR after 5 years of cooling. Use of the TRISO particle fuel would provide an additional barrier to fission product release in the event of cladding failure. Depletion calculations were performed to evaluate reactivity-limited burnup of the TRU-only FCM fuel. These calculations showed that due to relatively little space availablemore » for fuel, the achievable burnup with these pins alone is quite small. Various reactivity parameters were also evaluated at each burnup step including moderator temperature coefficient (MTC), Doppler, and soluble boron worth. These were compared to reference UO{sub 2} and MOX unit cells. The TRU-only FCM fuel exhibits degraded MTC and Doppler coefficients relative to UO{sub 2} and MOX. Also, the reactivity effects of coolant voiding suggest that the behavior of this fuel would be similar to a MOX fuel of very high plutonium fraction, which are known to have positive void reactivity. In general, loading of TRU-only FCM fuel into an assembly without significant quantities of uranium presents challenges to the reactor design. However, if such FCM fuel pins are included in a heterogeneous assembly alongside LEU fuel pins, the overall reactivity behavior would be dominated by the uranium pins while attractive TRU destruction performance levels in the TRU-only FCM fuel pins is retained. From this work, it is concluded that use of heterogeneous assemblies such as these appears feasible from a preliminary reactor physics standpoint. (authors)« less

Reactor Physics Behavior of Transuranic-Bearing TRISO-Particle Fuel in a Pressurized Water Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael A. Pope; R. Sonat Sen; Abderrafi M. Ougouag

2012-04-01

Calculations have been performed to assess the neutronic behavior of pins of Fully-Ceramic Micro-encapsulated (FCM) fuel in otherwise-conventional Pressurized Water Reactor (PWR) fuel pins. The FCM fuel contains transuranic (TRU)-only oxide fuel in tri-isotropic (TRISO) particles with the TRU loading coming from the spent fuel of a conventional LWR after 5 years of cooling. Use of the TRISO particle fuel would provide an additional barrier to fission product release in the event of cladding failure. Depletion calculations were performed to evaluate reactivity-limited burnup of the TRU-only FCM fuel. These calculations showed that due to relatively little space available for fuel,more » the achievable burnup with these pins alone is quite small. Various reactivity parameters were also evaluated at each burnup step including moderator temperature coefficient (MTC), Doppler, and soluble boron worth. These were compared to reference UO{sub 2} and MOX unit cells. The TRU-only FCM fuel exhibits degraded MTC and Doppler coefficients relative to UO{sub 2} and MOX. Also, the reactivity effects of coolant voiding suggest that the behavior of this fuel would be similar to a MOX fuel of very high plutonium fraction, which are known to have positive void reactivity. In general, loading of TRU-only FCM fuel into an assembly without significant quantities of uranium presents challenges to the reactor design. However, if such FCM fuel pins are included in a heterogeneous assembly alongside LEU fuel pins, the overall reactivity behavior would be dominated by the uranium pins while attractive TRU destruction performance levels in the TRU-only FCM fuel pins is. From this work, it is concluded that use of heterogeneous assemblies such as these appears feasible from a preliminary reactor physics standpoint.« less

CHF considerations for highly moderated 100% MOX fuels PWRs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saphier, D.; Raymond, P.

1995-09-01

A feasibility study on using 100% MOX fuel in a PWR with increased moderating ratio, RMA, was initiated. In the proposed design all the parameters were chosen identical to the French 1450MW PWR, except the fuel pin diameter which was reduced to achieve higher moderating ratios, V{sub M}/V{sub F}, where V{sub M} and V{sub F} are the moderator and fuel volume respectively. Moderating ratios from 2 to 4 were considered. In the present study the thermal-hydraulic feasibility of using fuel assemblies with smaller diameter fuel pins was investigated. The major design constrain in this study was the critical heat fluxmore » (CHF). In order to maintain the fuel pin integrity under nominal operating and transient conditions, the minimum DNBR, (Departure from Nucleate Boiling Ratio given by CHF/q{close_quotes}{sub local}, where q{close_quotes}{sub local} is the local heat flux), has to be above a given value. The limitations of the existing CHF correlations for the present study are outlined. Two designs based on the conventional 17x17 fuel assembly and on the advanced 19x19 assembly meeting the MDNBR criteria and satisfying the control margin requirements, are proposed.« less

Thorium-based mixed oxide fuel in a pressurized water reactor: A feasibility analysis with MCNP

NASA Astrophysics Data System (ADS)

Tucker, Lucas Powelson

This dissertation investigates techniques for spent fuel monitoring, and assesses the feasibility of using a thorium-based mixed oxide fuel in a conventional pressurized water reactor for plutonium disposition. Both non-paralyzing and paralyzing dead-time calculations were performed for the Portable Spectroscopic Fast Neutron Probe (N-Probe), which can be used for spent fuel interrogation. Also, a Canberra 3He neutron detector's dead-time was estimated using a combination of subcritical assembly measurements and MCNP simulations. Next, a multitude of fission products were identified as candidates for burnup and spent fuel analysis of irradiated mixed oxide fuel. The best isotopes for these applications were identified by investigating half-life, photon energy, fission yield, branching ratios, production modes, thermal neutron absorption cross section and fuel matrix diffusivity. 132I and 97Nb were identified as good candidates for MOX fuel on-line burnup analysis. In the second, and most important, part of this work, the feasibility of utilizing ThMOX fuel in a pressurized water reactor (PWR) was first examined under steady-state, beginning of life conditions. Using a three-dimensional MCNP model of a Westinghouse-type 17x17 PWR, several fuel compositions and configurations of a one-third ThMOX core were compared to a 100% UO2 core. A blanket-type arrangement of 5.5 wt% PuO2 was determined to be the best candidate for further analysis. Next, the safety of the ThMOX configuration was evaluated through three cycles of burnup at several using the following metrics: axial and radial nuclear hot channel factors, moderator and fuel temperature coefficients, delayed neutron fraction, and shutdown margin. Additionally, the performance of the ThMOX configuration was assessed by tracking cycle length, plutonium destroyed, and fission product poison concentration.

Experimental validation of the DARWIN2.3 package for fuel cycle applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

San-Felice, L.; Eschbach, R.; Bourdot, P.

2012-07-01

The DARWIN package, developed by the CEA and its French partners (AREVA and EDF) provides the required parameters for fuel cycle applications: fuel inventory, decay heat, activity, neutron, {gamma}, {alpha}, {beta} sources and spectrum, radiotoxicity. This paper presents the DARWIN2.3 experimental validation for fuel inventory and decay heat calculations on Pressurized Water Reactor (PWR). In order to validate this code system for spent fuel inventory a large program has been undertaken, based on spent fuel chemical assays. This paper deals with the experimental validation of DARWIN2.3 for the Pressurized Water Reactor (PWR) Uranium Oxide (UOX) and Mixed Oxide (MOX) fuelmore » inventory calculation, focused on the isotopes involved in Burn-Up Credit (BUC) applications and decay heat computations. The calculation - experiment (C/E-1) discrepancies are calculated with the latest European evaluation file JEFF-3.1.1 associated with the SHEM energy mesh. An overview of the tendencies is obtained on a complete range of burn-up from 10 to 85 GWd/t (10 to 60 GWcVt for MOX fuel). The experimental validation of the DARWIN2.3 package for decay heat calculation is performed using calorimetric measurements carried out at the Swedish Interim Spent Fuel Storage Facility for Pressurized Water Reactor (PWR) assemblies, covering a large burn-up (20 to 50 GWd/t) and cooling time range (10 to 30 years). (authors)« less

Modeling of the structure and interactions of the B. anthracis antitoxin, MoxX: deletion mutant studies highlight its modular structure and repressor function

NASA Astrophysics Data System (ADS)

Chopra, Nikita; Agarwal, Shivangi; Verma, Shashikala; Bhatnagar, Sonika; Bhatnagar, Rakesh

2011-03-01

Our previous report on Bacillus anthracis toxin-antitoxin module (MoxXT) identified it to be a two component system wherein, PemK-like toxin (MoxT) functions as a ribonuclease (Agarwal S et al. JBC 285:7254-7270, 2010). The labile antitoxin (MoxX) can bind to/neutralize the action of the toxin and is also a DNA-binding protein mediating autoregulation. In this study, molecular modeling of MoxX in its biologically active dimeric form was done. It was found that it contains a conserved Ribbon-Helix-Helix (RHH) motif, consistent with its DNA-binding function. The modeled MoxX monomers dimerize to form a two-stranded antiparallel ribbon, while the C-terminal region adopts an extended conformation. Knowledge guided protein-protein docking, molecular dynamics simulation, and energy minimization was performed to obtain the structure of the MoxXT complex, which was exploited for the de novo design of a peptide capable of binding to MoxT. It was found that the designed peptide caused a decrease in MoxX binding to MoxT by 42% at a concentration of 2 μM in vitro. We also show that MoxX mediates negative transcriptional autoregulation by binding to its own upstream DNA. The interacting regions of both MoxX and DNA were identified in order to model their complex. The repressor activity of MoxX was found to be mediated by the 16 N-terminal residues that contains the ribbon of the RHH motif. Based on homology with other RHH proteins and deletion mutant studies, we propose a model of the MoxX-DNA interaction, with the antiparallel β-sheet of the MoxX dimer inserted into the major groove of its cognate DNA. The structure of the complex of MoxX with MoxT and its own upstream regulatory region will facilitate design of molecules that can disrupt these interactions, a strategy for development of novel antibacterials.

Uncertainties for Swiss LWR spent nuclear fuels due to nuclear data

NASA Astrophysics Data System (ADS)

Rochman, Dimitri A.; Vasiliev, Alexander; Dokhane, Abdelhamid; Ferroukhi, Hakim

2018-05-01

This paper presents a study of the impact of the nuclear data (cross sections, neutron emission and spectra) on different quantities for spent nuclear fuels (SNF) from Swiss power plants: activities, decay heat, neutron and gamma sources and isotopic vectors. Realistic irradiation histories are considered using validated core follow-up models based on CASMO and SIMULATE. Two Pressurized and one Boiling Water Reactors (PWR and BWR) are considered over a large number of operated cycles. All the assemblies at the end of the cycles are studied, being reloaded or finally discharged, allowing spanning over a large range of exposure (from 4 to 60 MWd/kgU for ≃9200 assembly-cycles). Both UO2 and MOX fuels were used during the reactor cycles, with enrichments from 1.9 to 4.7% for the UO2 and 2.2 to 5.8% Pu for the MOX. The SNF characteristics presented in this paper are calculated with the SNF code. The calculated uncertainties, based on the ENDF/B-VII.1 library are obtained using a simple Monte Carlo sampling method. It is demonstrated that the impact of nuclear data is relatively important (e.g. up to 17% for the decay heat), showing the necessity to consider them for safety analysis of the SNF handling and disposal.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carmack, Jon; Hayes, Steven; Walters, L. C.

This document explores startup fuel options for a proposed test/demonstration fast reactor. The fuel options considered are the metallic fuels U-Zr and U-Pu-Zr and the ceramic fuels UO 2 and UO 2-PuO 2 (MOX). Attributes of the candidate fuel choices considered were feedstock availability, fabrication feasibility, rough order of magnitude cost and schedule, and the existing irradiation performance database. The reactor-grade plutonium bearing fuels (U-Pu-Zr and MOX) were eliminated from consideration as the initial startup fuels because the availability and isotopics of domestic plutonium feedstock is uncertain. There are international sources of reactor grade plutonium feedstock but isotopics and availabilitymore » are also uncertain. Weapons grade plutonium is the only possible source of Pu feedstock in sufficient quantities needed to fuel a startup core. Currently, the available U.S. source of (excess) weapons-grade plutonium is designated for irradiation in commercial light water reactors (LWR) to a level that would preclude diversion. Weapons-grade plutonium also contains a significant concentration of gallium. Gallium presents a potential issue for both the fabrication of MOX fuel as well as possible performance issues for metallic fuel. Also, the construction of a fuel fabrication line for plutonium fuels, with or without a line to remove gallium, is expected to be considerably more expensive than for uranium fuels. In the case of U-Pu-Zr, a relatively small number of fuel pins have been irradiated to high burnup, and in no case has a full assembly been irradiated to high burnup without disassembly and re-constitution. For MOX fuel, the irradiation database from the Fast Flux Test Facility (FFTF) is extensive. If a significant source of either weapons-grade or reactor-grade Pu became available (i.e., from an international source), a startup core based on Pu could be reconsidered.« less

Thorium Fuel Options for Sustained Transuranic Burning in Pressurized Water Reactors - 12381

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahman, Fariz Abdul; Lee, John C.; Franceschini, Fausto

2012-07-01

As described in companion papers, Westinghouse is proposing the adoption of a thorium-based fuel cycle to burn the transuranics (TRU) contained in the current Used Nuclear Fuel (UNF) and transition towards a less radio-toxic high level waste. A combination of both light water reactors (LWR) and fast reactors (FR) is envisaged for the task, with the emphasis initially posed on their TRU burning capability and eventually to their self-sufficiency. Given the many technical challenges and development times related to the deployment of TRU burners fast reactors, an interim solution making best use of the current resources to initiate burning themore » legacy TRU inventory while developing and testing some technologies of later use is desirable. In this perspective, a portion of the LWR fleet can be used to start burning the legacy TRUs using Th-based fuels compatible with the current plants and operational features. This analysis focuses on a typical 4-loop PWR, with 17x17 fuel assembly design and TRUs (or Pu) admixed with Th (similar to U-MOX fuel, but with Th instead of U). Global calculations of the core were represented with unit assembly simulations using the Linear Reactivity Model (LRM). Several assembly configurations have been developed to offer two options that can be attractive during the TRU transmutation campaign: maximization of the TRU transmutation rate and capability for TRU multi-recycling, to extend the option of TRU recycling in LWR until the FR is available. Homogeneous as well as heterogeneous assembly configurations have been developed with various recycling schemes (Pu recycle, TRU recycle, TRU and in-bred U recycle etc.). Oxide as well as nitride fuels have been examined. This enabled an assessment of the potential for burning and multi-recycling TRU in a Th-based fuel PWR to compare against other more typical alternatives (U-MOX and variations thereof). Results will be shown indicating that Th-based PWR fuel is a promising option to multi-recycle and burn TRU in a thermal spectrum, while satisfying top-level operational and safety constraints. Various assembly designs have been proposed to assess the TRU burning potential of Th-based fuel in PWRs. In addition to typical homogeneous loading patterns, heterogeneous configurations exploiting the breeding potential of thorium to enable multiple cycles of TRU irradiation and burning have been devised. The homogeneous assembly design, with all pins featuring TRU in Th, has the benefit of a simple loading pattern and the highest rate of TRU transmutation, but it can be used only for a few cycles due to the rapid rise in the TRU content of the recycled fuel, which challenges reactivity control, safety coefficients and fuel handling. Due to its simple loading pattern, such assembly design can be used as the first step of Th implementation, achieving up to 3 times larger TRU transmutation rate than conventional U-MOX, assuming same fraction of MOX assemblies in the core. As the next step in thorium implementation, heterogeneous assemblies featuring a mixed array of Th-U and Th-U-TRU pins, where the U is in-bred from Th, have been proposed. These designs have the potential to enable burning an external supply of TRU through multiple cycles of irradiation, recovery (via reprocessing) and recycling of the residual actinides at the end of each irradiation cycle. This is achieved thanks to a larger breeding of U from Th in the heterogeneous assemblies, which reduces the TRU supply and thus mitigates the increase in the TRU core inventory for the multi-recycled fuel. While on an individual cycle basis the amount of TRU burned in the heterogeneous assembly is reduced with respect to the homogeneous design, TRU burning rates higher than single-pass U-MOX fuel can still be achieved, with the additional benefits of a multi-cycle transmutation campaign recycling all TRU isotopes. Nitride fuel, due its higher density and U breeding potential, together with its better thermal properties, ideally suits the objectives and constraints of the heterogeneous assemblies. However, significant technological advancements must be made before nitride fuels can be employed in an LWR: its water resistance needs to be improved and a viable technology to enrich N in N-15 must be devised. Moreover, for the nitride heterogeneous configurations examined in this study, the enhancement in TRU burning performance is achieved not only by replacing oxide with nitride fuel, but also by increasing the fuel rod size. This latter modification, allowed by the high thermal conductivity of nitride fuel, leads however to a very tight lattice, which may challenge reactor coolant pumps and assembly hold-down mechanisms, the former through an increase in core pressure drop and the latter through an increase in assembly lift-off forces. To alleviate these issues, while still achieving the large fuel-to-moderator ratios resulting from using tight lattices, wire wraps could be used in place of grid spacers. For tight lattices, typical grid spacers are hard to manufacture and their replacement with wire wraps is known to allow for a pressure drop reduction by at least 2 times. The studies, while certainly very preliminary, provide a starting point to devise an optimum strategy for TRU transmutation in Th-based PWR fuel. The viability of the scheme proposed depends on the timely phasing in of the associated technologies, with proper lead time and to solve the many challenges. These challenges are certainly substantial, and make the current once-through U-based scheme pursued in the US by far a more practical (and cheaper) option. However, when compared to other transmutation schemes, the proposed one has arguably similar challenges and unknowns with potentially bigger rewards. (authors)« less

Canadian experience in irradiation and testing of MOX fuel

NASA Astrophysics Data System (ADS)

Yatabe, S.; Floyd, M.; Dimayuga, F.

2018-04-01

Experimental irradiation and performance testing of Mixed OXide (MOX) fuel at the Canadian Nuclear Laboratories (CNL) has taken place for more than 40 years. These experiments investigated MOX fuel behaviour and compared it with UO2 behaviour to develop and verify fuel performance models. This article compares the performance of MOX of various concentrations and homogeneities, under different irradiation conditions. These results can be applied to future fuel designs. MOX fuel irradiated by CNL was found to be comparable in performance to similarly designed and operated UO2 fuel. MOX differs in behaviour from UO2 fuel in several ways. Fission-gas release, grain growth and the thickness of zirconium oxide on the inner sheath appear to be related to MOX fuel homogeneity. Columnar grains formed at the pellet centre begin to develop at lower powers in MOX than in UO2 fuel.

Consistent criticality and radiation studies of Swiss spent nuclear fuel: The CS2M approach.

PubMed

Rochman, D; Vasiliev, A; Ferroukhi, H; Pecchia, M

2018-06-15

In this paper, a new method is proposed to systematically calculate at the same time canister loading curves and radiation sources, based on the inventory information from an in-core fuel management system. As a demonstration, the isotopic contents of the assemblies come from a Swiss PWR, considering more than 6000 cases from 34 reactor cycles. The CS 2 M approach consists in combining four codes: CASMO and SIMULATE to extract the assembly characteristics (based on validated models), the SNF code for source emission and MCNP for criticality calculations for specific canister loadings. The considered cases cover enrichments from 1.9 to 5.0% for the UO 2 assemblies and 4.8% for the MOX, with assembly burnup values from 7 to 74 MWd/kgU. Because such a study is based on the individual fuel assembly history, it opens the possibility to optimize canister loadings from the point-of-view of criticality, decay heat and emission sources. Copyright © 2018 Elsevier B.V. All rights reserved.

Comparison of UWCC MOX fuel measurements to MCNP-REN calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abhold, M.; Baker, M.; Jie, R.

1998-12-31

The development of neutron coincidence counting has greatly improved the accuracy and versatility of neutron-based techniques to assay fissile materials. Today, the shift register analyzer connected to either a passive or active neutron detector is widely used by both domestic and international safeguards organizations. The continued development of these techniques and detectors makes extensive use of the predictions of detector response through the use of Monte Carlo techniques in conjunction with the point reactor model. Unfortunately, the point reactor model, as it is currently used, fails to accurately predict detector response in highly multiplying mediums such as mixed-oxide (MOX) lightmore » water reactor fuel assemblies. For this reason, efforts have been made to modify the currently used Monte Carlo codes and to develop new analytical methods so that this model is not required to predict detector response. The authors describe their efforts to modify a widely used Monte Carlo code for this purpose and also compare calculational results with experimental measurements.« less

Moxidectin and the avermectins: Consanguinity but not identity

PubMed Central

Prichard, Roger; Ménez, Cécile; Lespine, Anne

2012-01-01

The avermectins and milbemycins contain a common macrocyclic lactone (ML) ring, but are fermentation products of different organisms. The principal structural difference is that avermectins have sugar groups at C13 of the macrocyclic ring, whereas the milbemycins are protonated at C13. Moxidectin (MOX), belonging to the milbemycin family, has other differences, including a methoxime at C23. The avermectins and MOX have broad-spectrum activity against nematodes and arthropods. They have similar but not identical, spectral ranges of activity and some avermectins and MOX have diverse formulations for great user flexibility. The longer half-life of MOX and its safety profile, allow MOX to be used in long-acting formulations. Some important differences between MOX and avermectins in interaction with various invertebrate ligand-gated ion channels are known and could be the basis of different efficacy and safety profiles. Modelling of IVM interaction with glutamate-gated ion channels suggest different interactions will occur with MOX. Similarly, profound differences between MOX and the avermectins are seen in interactions with ABC transporters in mammals and nematodes. These differences are important for pharmacokinetics, toxicity in animals with defective transporter expression, and probable mechanisms of resistance. Resistance to the avermectins has become widespread in parasites of some hosts and MOX resistance also exists and is increasing. There is some degree of cross-resistance between the avermectins and MOX, but avermectin resistance and MOX resistance are not identical. In many cases when resistance to avermectins is noticed, MOX produces a higher efficacy and quite often is fully effective at recommended dose rates. These similarities and differences should be appreciated for optimal decisions about parasite control, delaying, managing or reversing resistances, and also for appropriate anthelmintic combination. PMID:24533275

moxFG region encodes four polypeptides in the methanol-oxidizing bacterium Methylobacterium sp. strain AM1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, D.J.; Lidstrom, M.E.

The polypeptides encoded by a putative methanol oxidation (mox) operon of Methylobacterium sp. strain AM1 were expressed in Escherichia coli, using a coupled in vivo T7 RNA polymerase/promoter gene expression system. Two mox genes had been previously mapped to this region: moxF, the gene encoding the methanol dehydrogenase (MeDH) polypeptide; and moxG, a gene believed to encode a soluble type c cytochrome, cytochrome c/sub L/. In this study, four polypeptides of M/sub r/, 60,000, 30,000, 20,000, and 12,000 were found to be encoded by the moxFG region and were tentatively designated moxF, -J, -G, and -I, respectively. The arrangement ofmore » the genes (5' to 3') was found to be moxFJGI. The identities of three of the four polypeptides were determined by protein immunoblot analysis. The product of moxF, the M/sub r/-60,000 polypeptide, was confirmed to be the MeDH polypeptide. The product of moxG, the M/sub r/-20,000 polypeptide, was identified as mature cytochrome c/sub L/, and the product of moxI, the M/sub r/-12,000 polypeptide, was identified as a MeDH-associated polypeptide that copurifies with the holoenzyme. The identity of the M/sub r/-30,000 polypeptide (the moxJ gene product) could not be determined. The function of the M/sub r/-12,000 MeDH-associated polypeptide is not yet clear. However, it is not present in mutants that lack the M/sub r/-60,000 MeDH subunit, and it appears that the stability of the MeDH-associated polypeptide is dependent on the presence of the M/sub r/-60,000 MeDH polypeptide. Our data suggest that both the M/sub r/-30,000 and -12,000 polypeptides are involved in methanol oxidation, which would bring to 12 the number of mox genes in Methylobacterium sp. strain AM1.« less

Relative Neurotoxicity of Ivermectin and Moxidectin in Mdr1ab (−/−) Mice and Effects on Mammalian GABA(A) Channel Activity

PubMed Central

Ménez, Cécile; Sutra, Jean-François; Prichard, Roger; Lespine, Anne

2012-01-01

The anthelmintics ivermectin (IVM) and moxidectin (MOX) display differences in toxicity in several host species. Entrance into the brain is restricted by the P-glycoprotein (P-gp) efflux transporter, while toxicity is mediated through the brain GABA(A) receptors. This study compared the toxicity of IVM and MOX in vivo and their interaction with GABA(A) receptors in vitro. Drug toxicity was assessed in Mdr1ab(−/−) mice P-gp-deficient after subcutaneous administration of increasing doses (0.11–2.0 and 0.23–12.9 µmol/kg for IVM and MOX in P-gp-deficient mice and half lethal doses (LD50) in wild-type mice). Survival was evaluated over 14-days. In Mdr1ab(−/−) mice, LD50 was 0.46 and 2.3 µmol/kg for IVM and MOX, respectively, demonstrating that MOX was less toxic than IVM. In P-gp-deficient mice, MOX had a lower brain-to-plasma concentration ratio and entered into the brain more slowly than IVM. The brain sublethal drug concentrations determined after administration of doses close to LD50 were, in Mdr1ab(−/−) and wild-type mice, respectively, 270 and 210 pmol/g for IVM and 830 and 740–1380 pmol/g for MOX, indicating that higher brain concentrations are required for MOX toxicity than IVM. In rat α1β2γ2 GABA channels expressed in Xenopus oocytes, IVM and MOX were both allosteric activators of the GABA-induced response. The Hill coefficient was 1.52±0.45 for IVM and 0.34±0.56 for MOX (p<0.001), while the maximum potentiation caused by IVM and MOX relative to GABA alone was 413.7±66.1 and 257.4±40.6%, respectively (p<0.05), showing that IVM causes a greater potentiation of GABA action on this receptor. Differences in the accumulation of IVM and MOX in the brain and in the interaction of IVM and MOX with GABA(A) receptors account for differences in neurotoxicity seen in intact and Mdr1-deficient animals. These differences in neurotoxicity of IVM and MOX are important in considering their use in humans. PMID:23133688

[Strengthening innovation in clinical research methodology of acupuncture and moxibustion to promote internationalization process of acupuncture-moxibustion].

PubMed

Wang, Long; Zou, Wei; Chi, Qing-bin

2009-06-01

In order to explore the problems and countermeasure in the methodology of acupuncture and moxibustion clinical researches at present, clinical research literatures about acupuncture and moxibustion (Acup-Mox) published in recent years in our country were reviewed. For the urgent need of the current internationalization of Acup-Mox, the authors proposed the model of clinical research on Acup-Mox, which should strictly stick to the international standard and fully embody traditional Chinese medicine characteristics in the intervention measures of acupuncture. It is indicated that innovation of the methodology about clinical researches of Acup-Mox has great significance in improving the quality of clinical research on Acup-Mox in our country and promoting internationalization of Acup-Mox.

Effect of PEG and water-soluble chitosan coating on moxifloxacin-loaded PLGA long-circulating nanoparticles.

PubMed

Mustafa, Sanaul; Devi, V Kusum; Pai, Roopa S

2017-02-01

Moxifloxacin (MOX) is a Mycobacterium tuberculosis DNA gyrase inhibitor. Due to its intense hydrophilicity, MOX is cleared from the body within 24 h and required for repetitive doses which may then result in hepatotoxicity and acquisition of MOX resistant-TB, related with its use. To overcome the aforementioned limitations, the current study aimed to develop PLGA nanoparticles (PLGA NPs), to act as an efficient carrier for controlled delivery of MOX. To achieve a substantial extension in blood circulation, a combined design, affixation of polyethylene glycol (PEG) to MOX-PLGA NPs and adsorption of water-soluble chitosan (WSC) (cationic deacetylated chitin) to particle surface, was rose for surface modification of NPs. Surface modified NPs (MOX-PEG-WSC NPs) were prepared to provide controlled delivery and circulate in the bloodstream for an extended period of time, thus minimizing dosing frequency. In vivo pharmacokinetic and in vivo biodistribution following oral administration were investigated. NP surface charge was closed to neutral +4.76 mV and significantly affected by the WSC coating. MOX-PEG-WSC NPs presented striking prolongation in blood circulation, reduced protein binding, and long-drawn-out the blood circulation half-life with resultant reduced liver sequestration vis-à-vis MOX-PLGA NPs. The studies, therefore, indicate the successful formulation development of MOX-PEG-WSC NPs that showed sustained release behavior from nanoparticles which indicates low frequency of dosing.

Issues in the use of Weapons-Grade MOX Fuel in VVER-1000 Nuclear Reactors: Comparison of UO2 and MOX Fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carbajo, J.J.

2005-05-27

The purpose of this report is to quantify the differences between mixed oxide (MOX) and low-enriched uranium (LEU) fuels and to assess in reasonable detail the potential impacts of MOX fuel use in VVER-1000 nuclear power plants in Russia. This report is a generic tool to assist in the identification of plant modifications that may be required to accommodate receiving, storing, handling, irradiating, and disposing of MOX fuel in VVER-1000 reactors. The report is based on information from work performed by Russian and U.S. institutions. The report quantifies each issue, and the differences between LEU and MOX fuels are describedmore » as accurately as possible, given the current sources of data.« less

Muscle oxygenation as an early predictor of shock severity in trauma patients

PubMed Central

Arakaki, Lorilee S. L.; Bulger, Eileen M.; Ciesielski, Wayne A.; Carlbom, David J.; Fisk, Dana M.; Sheehan, Kellie L.; Asplund, Karin M.; Schenkman, Kenneth A.

2016-01-01

Introduction We evaluated the potential utility of a new prototype noninvasive muscle oxygenation (MOx) measurement for the identification of shock severity in a population of patients admitted to the trauma resuscitation rooms of a Level I regional trauma center. The goal of this project was to correlate MOx with shock severity as defined by standard measures of shock: systolic blood pressure, heart rate, and lactate. Methods Optical spectra were collected from subjects by placement of a custom-designed optical probe over the first dorsal interosseous muscles on the back of the hand. Spectra were acquired from trauma patients as soon as possible upon admission to the trauma resuscitation room. Patients with any injury were eligible for study. MOx was determined from the collected optical spectra with a multi-wavelength analysis that used both visible and near-infrared regions of light. Shock severity was determined in each patient by a scoring system based on combined degrees of hypotension, tachycardia, and lactate. MOx values of patients in each shock severity group (mild, moderate, and severe) were compared using two-sample t-tests. Results In 17 healthy control patients, the mean MOx value was 91.0 ± 5.5%. A total of 69 trauma patients were studied. Patients classified as having mild shock had a mean MOx of 62.5 ± 26.2% (n = 33), those classified as in moderate shock had a mean MOx of 56.9 ± 26.9% (n = 25) and those classified as in severe shock had a MOx of 31.0 ± 17.1% (n = 11). Mean MOx for each of these groups was statistically different from the healthy control group (p<0.05). Receiver operating characteristic (ROC) analyses show that MOx and shock index (heart rate/systolic blood pressure) identified shock similarly well (area under the curves (AUC) = 0.857 and 0.828, respectively). However, MOx identified mild shock better than shock index in the same group of patients (AUC = 0.782 and 0.671, respectively). Conclusions The results obtained from this pilot study indicate that MOx correlates with shock severity in a population of trauma patients. Noninvasive and continuous MOx holds promise to aid in patient triage and to evaluate patient condition throughout the course of resuscitation. PMID:27820776

Primary photophysical properties of moxifloxacin--a fluoroquinolone antibiotic.

PubMed

Lorenzo, Fernando; Navaratnam, Suppiah; Edge, Ruth; Allen, Norman S

2008-01-01

The photophysical properties of the fluoroquinolone antibiotic moxifloxacin (MOX) were investigated in aqueous media. MOX in water, at pH 7.4, shows two intense absorption bands at 287 and 338 nm (epsilon = 44,000 and 17,000 dm(3) mol(-1) cm(-1), respectively). The absorption and emission properties of MOX are pH-dependent, pK(a) values for the protonation equilibria of both the ground (6.1 and 9.6) and excited singlet states (6.8 and 9.1) of MOX were determined spectroscopically. MOX fluoresces weakly, the quantum yield for fluorescence emission being maximum (0.07) at pH 8. Phosphorescence from the excited triplet state in frozen ethanol solution has a quantum yield of 0.046. Laser flash photolysis and pulse radiolysis studies have been carried out to characterize the transient species of MOX in aqueous solution. On laser excitation, MOX undergoes monophotonic photoionization with a quantum yield of 0.14. This leads to the formation of a long-lived cation radical whose absorption is maximum at 470 nm (epsilon(470) = 3400 dm(3) mol(-1) cm(-1)). The photoionization process releases hydrated electron which rapidly reacts (k = 2.8 x 10(10) dm(3) mol(-1) s(-1)) with ground state MOX, yielding a long-lived anion radical with maximum absorption at 390 nm (epsilon(390) = 2400 dm(3) mol(-1) cm(-1)). The cation radical of MOX is able to oxidize protein components tryptophan and tyrosine. The bimolecular rate constants for these reactions are 2.3 x 10(8) dm(3) mol(-1) s(-1) and 1.3 x 10(8) dm(3) mol(-1) s(-1), respectively. Singlet oxygen sensitized by the MOX triplet state was also detected only in oxygen-saturated D(2)O solutions, with a quantum yield of 0.075.

Identification of putative methanol dehydrogenase (moxF) structural genes in methylotrophs and cloning of moxF genes from methylococcus capsulatus bath and Methylomonas albus BG8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stephens, R.L.; Haygood, M.G.; Lidstrom, M.E.

An open-reading-frame fragment of a Methylobacterium sp. strain AM1 gene (moxF) encoding a portion of the methanol dehydrogenase structural protein has been used as a hybridization probe to detect similar sequences in a variety of methylotrophic bacteria. This hybridization was used to isolate clones containing putative moxF genes from two obligate methanotrophic bacteria, Methylococcus capsulatus Bath and Methylomonas albus BG8. The identity of these genes was confirmed in two ways. A T7 expression vector was used to produce methanol dehydrogenase protein in Escherichia coli from the cloned genes,a and in each case the protein was identified by immunoblotting with antiserummore » against the Methylomonas albus methanol dehydrogenase. In addition, a moxF mutant of Methylobacterium strain AM1 was complemented to a methanol-positive phenotype that partially restored methanol dehydrogenase activity, using broad-host-range plasmids containing the moxF genes from each methanotroph. The partial complementation of a moxF mutant in a facultative serine pathway methanol utilizer by moxF genes from type I and type X obligate methane utilizers suggests broad functional conservation of the methanol oxidation system among gram-negative methylotrophs.« less

Field tests demonstrating reduced activity of ivermectin and moxidectin against small strongyles in horses on 14 farms in Central Kentucky in 2007-2009.

PubMed

Lyons, Eugene T; Tolliver, Sharon C; Collins, Sandra S; Ionita, Mariana; Kuzmina, Tetiana A; Rossano, Mary

2011-02-01

Efficacy of ivermectin (IVM) and moxidectin (MOX) against small strongyles was evaluated in horses (n=363) in field tests on 14 farms in Central Kentucky between 2007 and 2009. Most of the horses were yearlings but a few were weanlings and mares. The number of horses treated with IVM was 255 and those treated with MOX was 108. Horses on six farms were allotted into two groups. One group was treated with each of the two drugs, whereas horses on the other eight farms were treated with only one of the two drugs--IVM on six farms and MOX on two farms. Strongyle eggs per gram of feces (EPGs) compared to initial use of IVM and MOX returned almost twice as quickly after treatment of horses on all of the farms. IVM has been used much more extensively in this geographical area than MOX. Reduced activity of MOX was evident even on farms with rare or no apparent previous use of MOX but with probable extensive use of IVM.

Barrel maturation, oak alternatives and micro-oxygenation: influence on red wine aging and quality.

PubMed

Oberholster, A; Elmendorf, B L; Lerno, L A; King, E S; Heymann, H; Brenneman, C E; Boulton, R B

2015-04-15

The impact of micro-oxygenation (MOX) in conjunction with a variety of oak alternatives on phenolic composition and red wine aging was investigated and compared with traditional barrel aging. Although several studies concluded that MOX give similar results to barrel aging, few have compared them directly and none directly compared MOX with and without wood alternatives and barrel aging. Results confirmed that MOX had a positive effect on colour density, even after 5 months of bottle aging. This is supported by an increase in polymeric phenol and pigment content not only with aging but in the MOX compared to barrel matured wine treatments. Descriptive analysis showed that MOX in combination with wood alternatives such as oak chips and staves could mimic short term (six months) barrel aging in new American and French oak barrels in regards to sensory characteristics. Published by Elsevier Ltd.

Thermal property change of MOX and UO2 irradiated up to high burnup of 74 GWd/t

NASA Astrophysics Data System (ADS)

Nakae, Nobuo; Akiyama, Hidetoshi; Miura, Hiromichi; Baba, Toshikazu; Kamimura, Katsuichiro; Kurematsu, Shigeru; Kosaka, Yuji; Yoshino, Aya; Kitagawa, Takaaki

2013-09-01

Thermal property is important because it controls fuel behavior under irradiation. The thermal property change at high burnup of more than 70 GWd/t is examined. Two kinds of MOX fuel rods, which were fabricated by MIMAS and SBR methods, and one referenced UO2 fuel rod were used in the experiment. These rods were taken from the pre-irradiated rods (IFA 609/626, of which irradiation test were carried out by Japanese PWR group) and re-fabricated and re-irradiated in HBWR as IFA 702 by JNES. The specification of fuel corresponds to that of 17 × 17 PWR type fuel and the axially averaged linear heat rates (LHR) of MOX rods are 25 kW/m (BOL of IFA 702) and 20 kW/m (EOL of IFA 702). The axial peak burnups achieved are about 74 GWd/t for both of MOX and UO2. Centerline temperature and plenum gas pressure were measured in situ during irradiation. The measured centerline temperature is plotted against LHR at the position where thermocouples are fixed. The slopes of MOX are corresponded to each other, but that of UO2 is higher than those of MOX. This implies that the thermal conductivity of MOX is higher than that of UO2 at high burnup under the condition that the pellet-cladding gap is closed during irradiation. Gap closure is confirmed by the metallography of the postirradiation examinations. It is understood that thermal conductivity of MOX is lower than that of UO2 before irradiation since phonon scattering with plutonium in MOX becomes remarkable. A phonon scattering with plutonium decreases in MOX when burnup proceeds. Thus, thermal conductivity of MOX becomes close to that of UO2. A reverse phenomenon is observed at high burnup region. The phonon scattering with fission products such as Nd and Zr causes a degradation of thermal conductivity of burnt fuel. It might be speculated that this scattering effect causes the phenomenon and the mechanism is discussed here.

Numerical Tests for the Problem of U-Pu Fuel Burnup in Fuel Rod and Polycell Models Using the MCNP Code

NASA Astrophysics Data System (ADS)

Muratov, V. G.; Lopatkin, A. V.

An important aspect in the verification of the engineering techniques used in the safety analysis of MOX-fuelled reactors, is the preparation of test calculations to determine nuclide composition variations under irradiation and analysis of burnup problem errors resulting from various factors, such as, for instance, the effect of nuclear data uncertainties on nuclide concentration calculations. So far, no universally recognized tests have been devised. A calculation technique has been developed for solving the problem using the up-to-date calculation tools and the latest versions of nuclear libraries. Initially, in 1997, a code was drawn up in an effort under ISTC Project No. 116 to calculate the burnup in one VVER-1000 fuel rod, using the MCNP Code. Later on, the authors developed a computation technique which allows calculating fuel burnup in models of a fuel rod, or a fuel assembly, or the whole reactor. It became possible to apply it to fuel burnup in all types of nuclear reactors and subcritical blankets.

Tissue residue depletion of moxidectin in lambs (Ovis aries) following subcutaneous administration.

PubMed

Cruz, Michelle Del Bianchi A; Fernandes, Maria Ângela M; Monteiro, Alda Lúcia G; Teles, Juliana A; Anadón, Arturo; Reyes, Felix G R

2018-06-07

To date, a tissue depletion study of moxidectin (MOX) in lambs is not available. Thus, considering that lamb meat is of great commercial interest in the world, the aim of the present study was to determine the residue levels of MOX in lamb target-tissues (muscle, liver, kidney and fat) and subsequently calculate the MOX withdrawal period. For this purpose, the target-tissues were analysed by ultra-high-performance liquid chromatography-tandem mass spectrometry. Method validation was performed based on Commission Decision 2002/657/EC and VICH GL49. To quantify the analyte, matrix-matched analytical curves were constructed with spiked blank tissues. The limits of detection and quantitation were 1.5 and 5 ng g -1 , respectively, for all matrices. The linearity, decision limit, detection capability accuracy and inter- and intra-day precision of the method are reported. The lambs were treated with a single subcutaneous dose of 0.2 mg MOX kg -1 body weight and were slaughtered in accordance with accepted animal care protocols. Samples of target-tissues were collected on 2, 4, 7, 14, 28 and 42 days after MOX administration. During the whole study, the highest drug residue level occurred in the fat. For the other target-tissues (muscle, liver and kidney), MOX concentrations were below the maximum residue limit (MRL). Considering the MRL value of 500 µg kg -1 for MOX residues in sheep fat, our results in lambs allowed the estimation of a MOX withdrawal period of 31 days. This indicates that the withdrawal period established for MOX in adult sheep (28 days) does not apply for lambs.

Preclinical Study of Single-Dose Moxidectin, a New Oral Treatment for Scabies: Efficacy, Safety, and Pharmacokinetics Compared to Two-Dose Ivermectin in a Porcine Model.

PubMed

Bernigaud, Charlotte; Fang, Fang; Fischer, Katja; Lespine, Anne; Aho, Ludwig Serge; Dreau, Dominique; Kelly, Andrew; Sutra, Jean-François; Moreau, Francis; Lilin, Thomas; Botterel, Françoise; Guillot, Jacques; Chosidow, Olivier

2016-10-01

Scabies is one of the commonest dermatological conditions globally; however it is a largely underexplored and truly neglected infectious disease. Foremost, improvement in the management of this public health burden is imperative. Current treatments with topical agents and/or oral ivermectin (IVM) are insufficient and drug resistance is emerging. Moxidectin (MOX), with more advantageous pharmacological profiles may be a promising alternative. Using a porcine scabies model, 12 pigs were randomly assigned to receive orally either MOX (0.3 mg/kg once), IVM (0.2 mg/kg twice) or no treatment. We evaluated treatment efficacies by assessing mite count, clinical lesions, pruritus and ELISA-determined anti-S. scabiei IgG antibodies reductions. Plasma and skin pharmacokinetic profiles were determined. At day 14 post-treatment, all four MOX-treated but only two IVM-treated pigs were mite-free. MOX efficacy was 100% and remained unchanged until study-end (D47), compared to 62% (range 26-100%) for IVM, with one IVM-treated pig remaining infected until D47. Clinical scabies lesions, pruritus and anti-S. scabiei IgG antibodies had completely disappeared in all MOX-treated but only 75% of IVM-treated pigs. MOX persisted ~9 times longer than IVM in plasma and skin, thereby covering the mite's entire life cycle and enabling long-lasting efficacy. Our data demonstrate that oral single-dose MOX was more effective than two consecutive IVM-doses, supporting MOX as potential therapeutic approach for scabies.

Effect of micro-oxygenation on sensory characteristics and consumer preference of Cabernet Sauvignon wine.

PubMed

Parpinello, Giuseppina Paola; Plumejeau, François; Maury, Chantal; Versari, Andrea

2012-04-01

The main objective of this study was to improve the structure of a Cabernet Sauvignon red wine in a short period of time by micro-oxygenation (MOX) at high rates (25 and 50 mL L(-1) month(-1) ), the effects of which were evaluated based on sensory characteristics and consumer preference. Sensory data were analysed by principal component analysis, discriminant analysis and ordinal logistic regression (OLR). MOX led to significant differences in the colour, colour stability and phenolic compounds of wine. Sensory characteristics also changed through MOX treatment, and wine experts were able to discriminate between MOX-treated and untreated samples, with olfactory intensity, complexity, astringency and roundness being the main discriminating characteristics. Ordinal logistic regression enabled identification of the sensory characteristics that drove consumer preference. MOX at high rates improved the sensory characteristics of wine and may therefore be considered a valid technique for obtaining structured wines in a short period of time, i.e. within just a few months after the vintage. The results highlight the need for (i) careful selection of the MOX dosage rate and duration (the 25 mL L(-1) month(-1) dose for 6 days provided the best result) and (ii) continuous monitoring of the MOX treatment. Copyright © 2011 Society of Chemical Industry.

Late-occurring pulmonary pathologies following inhalation of mixed oxide (uranium + plutonium oxide) aerosol in the rat.

PubMed

Griffiths, N M; Van der Meeren, A; Fritsch, P; Abram, M-C; Bernaudin, J-F; Poncy, J L

2010-09-01

Accidental exposure by inhalation to alpha-emitting particles from mixed oxide (MOX: uranium and plutonium oxide) fuels is a potential long-term health risk to workers in nuclear fuel fabrication plants. For MOX fuels, the risk of lung cancer development may be different from that assigned to individual components (plutonium, uranium) given different physico-chemical characteristics. The objective of this study was to investigate late effects in rat lungs following inhalation of MOX aerosols of similar particle size containing 2.5 or 7.1% plutonium. Conscious rats were exposed to MOX aerosols and kept for their entire lifespan. Different initial lung burdens (ILBs) were obtained using different amounts of MOX. Lung total alpha activity was determined by external counting and at autopsy for total lung dose calculation. Fixed lung tissue was used for anatomopathological, autoradiographical, and immunohistochemical analyses. Inhalation of MOX at ILBs ranging from 1-20 kBq resulted in lung pathologies (90% of rats) including fibrosis (70%) and malignant lung tumors (45%). High ILBs (4-20 kBq) resulted in reduced survival time (N = 102; p < 0.05) frequently associated with lung fibrosis. Malignant tumor incidence increased linearly with dose (up to 60 Gy) with a risk of 1-1.6% Gy for MOX, similar to results for industrial plutonium oxide alone (1.9% Gy). Staining with antibodies against Surfactant Protein-C, Thyroid Transcription Factor-1, or Oct-4 showed differential labeling of tumor types. In conclusion, late effects following MOX inhalation result in similar risk for development of lung tumors as compared with industrial plutonium oxide.

Preclinical Study of Single-Dose Moxidectin, a New Oral Treatment for Scabies: Efficacy, Safety, and Pharmacokinetics Compared to Two-Dose Ivermectin in a Porcine Model

PubMed Central

Bernigaud, Charlotte; Aho, Ludwig Serge; Dreau, Dominique; Kelly, Andrew; Sutra, Jean-François; Moreau, Francis; Lilin, Thomas; Botterel, Françoise; Guillot, Jacques; Chosidow, Olivier

2016-01-01

Background Scabies is one of the commonest dermatological conditions globally; however it is a largely underexplored and truly neglected infectious disease. Foremost, improvement in the management of this public health burden is imperative. Current treatments with topical agents and/or oral ivermectin (IVM) are insufficient and drug resistance is emerging. Moxidectin (MOX), with more advantageous pharmacological profiles may be a promising alternative. Methodology/Principal Findings Using a porcine scabies model, 12 pigs were randomly assigned to receive orally either MOX (0.3 mg/kg once), IVM (0.2 mg/kg twice) or no treatment. We evaluated treatment efficacies by assessing mite count, clinical lesions, pruritus and ELISA-determined anti-S. scabiei IgG antibodies reductions. Plasma and skin pharmacokinetic profiles were determined. At day 14 post-treatment, all four MOX-treated but only two IVM-treated pigs were mite-free. MOX efficacy was 100% and remained unchanged until study-end (D47), compared to 62% (range 26–100%) for IVM, with one IVM-treated pig remaining infected until D47. Clinical scabies lesions, pruritus and anti-S. scabiei IgG antibodies had completely disappeared in all MOX-treated but only 75% of IVM-treated pigs. MOX persisted ~9 times longer than IVM in plasma and skin, thereby covering the mite’s entire life cycle and enabling long-lasting efficacy. Conclusions/Significance Our data demonstrate that oral single-dose MOX was more effective than two consecutive IVM-doses, supporting MOX as potential therapeutic approach for scabies. PMID:27732588

Plasmid-mediated AmpC-type beta-lactamase isolated from Klebsiella pneumoniae confers resistance to broad-spectrum beta-lactams, including moxalactam.

PubMed Central

Horii, T; Arakawa, Y; Ohta, M; Ichiyama, S; Wacharotayankun, R; Kato, N

1993-01-01

Klebsiella pneumoniae NU2936 was isolated from a patient and was found to produce a plasmid-encoded beta-lactamase (MOX-1) which conferred resistance to broad spectrum beta-lactams, including moxalactam, flomoxef, ceftizoxime, cefotaxime, and ceftazidime. Resistance could be transferred from K. pneumoniae NU2936 to Escherichia coli CSH2 by conjugation with a transfer frequency of 5 x 10(-7). The structural gene of MOX-1 (blaMOX-1) was cloned and expressed in E. coli HB101. The MIC of moxalactam for E. coli HB101 producing MOX-1 was > 512 micrograms/ml. The apparent molecular mass and pI of this enzyme were calculated to be 38 kDa and 8.9, respectively. Hg2+ and Cu2+ failed to block enzyme activity, and the presence of EDTA in the reaction buffer did not reduce the enzyme activity. However, clavulanate and cloxacillin, serine beta-lactamase inhibitors, inhibited the enzyme activity competitively (Kis = 5.60 and 0.35 microM, respectively). The kinetic study of MOX-1 suggested that it effectively hydrolyzed broad-spectrum beta-lactams. A hybridization study confirmed that blaMOX-1 is encoded on a large resident plasmid (pRMOX1; 180 kb) of strain NU2936. By deletion analysis, the functional region was localized within a 1.2-kb region of the plasmid. By amino acid sequencing, 18 of 33 amino acid residues at the N terminus of MOX-1 were found to be identical to those of Pseudomonas aeruginosa AmpC. These findings suggest that MOX-1 is a plasmid-mediated AmpC-type beta-lactamase that provides enteric bacteria resistance to broad-spectrum beta-lactams, including moxalactam. Images PMID:8517725

A multicopper oxidase is essential for manganese oxidation and laccase-like activity in Pedomicrobium sp. ACM 3067.

PubMed

Ridge, Justin P; Lin, Marianne; Larsen, Eloise I; Fegan, Mark; McEwan, Alastair G; Sly, Lindsay I

2007-04-01

Pedomicrobium sp. ACM 3067 is a budding-hyphal bacterium belonging to the alpha-Proteobacteria which is able to oxidize soluble Mn2+ to insoluble manganese oxide. A cosmid, from a whole-genome library, containing the putative genes responsible for manganese oxidation was identified and a primer-walking approach yielded 4350 bp of novel sequence. Analysis of this sequence showed the presence of a predicted three-gene operon, moxCBA. The moxA gene product showed homology to multicopper oxidases (MCOs) and contained the characteristic four copper-binding motifs (A, B, C and D) common to MCOs. An insertion mutation of moxA showed that this gene was essential for both manganese oxidation and laccase-like activity. The moxB gene product showed homology to a family of outer membrane proteins which are essential for Type I secretion in Gram-negative bacteria. moxBA has not been observed in other manganese-oxidizing bacteria but homologues were identified in the genomes of several bacteria including Sinorhizobium meliloti 1021 and Agrobacterium tumefaciens C58. These results suggest that moxBA and its homologues constitute a family of genes encoding an MCO and a predicted component of the Type I secretion system.

MOXE: An X-ray all-sky monitor for Soviet Spectrum-X-Gamma Mission

NASA Technical Reports Server (NTRS)

Priedhorsky, W.; Fenimore, E. E.; Moss, C. E.; Kelley, R. L.; Holt, S. S.

1989-01-01

A Monitoring Monitoring X-Ray Equipment (MOXE) is being developed for the Soviet Spectrum-X-Gamma Mission. MOXE is an X-ray all-sky monitor based on array of pinhole cameras, to be provided via a collaboration between Goddard Space Flight Center and Los Alamos National Laboratory. The objectives are to alert other observers on Spectrum-X-Gamma and other platforms of interesting transient activity, and to synoptically monitor the X-ray sky and study long-term changes in X-ray binaries. MOXE will be sensitive to sources as faint as 2 milliCrab (5 sigma) in 1 day, and cover the 2 to 20 KeV band.

The phase state at high temperatures in the MOX-SiO 2 system

NASA Astrophysics Data System (ADS)

Nakamichi, S.; Kato, M.; Sunaoshi, T.; Uchida, T.; Morimoto, K.; Kashimura, M.; Kihara, Y.

2009-06-01

Influence of impurity Si on microstructure in a plutonium and uranium mixed oxide (MOX), which is used for fast breeder reactor fuel, was investigated, and phase state in 25% SiO 2 - (U 0.7Pu 0.3)O 2 was observed as a function of oxygen chemical potential. Compounds composed of Pu and Si with other elements were observed at grain boundaries of the MOX parent phase in the specimens after annealing. These compounds were not observed in the grain interior and the MOX phase was not affected significantly by impurity Si. It was found that the compounds tended to form more observably with decreasing O/M ratio and with increasing annealing temperatures.

Correlation between electronic structure and electron conductivity in MoX2 (X = S, Se, and Te)

NASA Astrophysics Data System (ADS)

Muzakir, Saifful Kamaluddin

2017-12-01

Layered structure molybdenum dichalcogenides, MoX2 (X = S, Se, and Te) are in focus as reversible charge storage electrode for pseudocapacitor applications. Correlation between number of layer and bandgap of the materials has been established by previous researchers. The correlation would reveal a connection between the bandgap and charge storage properties i.e., amount of charges that could be stored, and speed of storage or dissociation. In this work, fundamental parameters viz., (i) size-offset between a monolayer and exciton Bohr radius of MoX2 and (ii) ground and excited state electron density have been studied. We have identified realistic monolayer models of MoX2 using quantum chemical calculations which explain a correlation between size-offset and charge storage properties. We conclude that as the size-offset decreases, the higher possibility of wave functions overlap between the excited state, and ground state electrons; therefore the higher the electron mobility, and conductivity of the MoX2 would be.

MOX fuel assembly design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reese, A.P.; Crowther, R.L. Jr.

1992-02-18

This patent describes improvement in a boiling water reactor core having a plurality of vertically upstanding fuel bundles; each fuel bundle containing longitudinally extending sealed rods with fissile material therein; the improvement comprises the fissile material including a mixture of uranium and recovered plutonium in rods of the fuel bundle at locations other than the corners of the fuel bundle; and, neutron absorbing material being located in rods of the fuel bundle at rod locations adjacent the corners of the fuel bundles whereby the neutron absorbing material has decreased shielding from the plutonium and maximum exposure to thermal neutrons formore » shaping the cold reactivity shutdown zone in the fuel bundle.« less

[In vitro synergistic effect of moxifloxacin and amphotericin B combination against Candida strains].

PubMed

Yalçin, Burçe; Kalkanci, Ayşe; Gürelik, Feryal; Fidan, Işil; Kustimur, Semra; Ozdek, Sengül

2010-01-01

Contradictory results such as synergy or indifferent effect, have been reported about the interactions between quinolones and antifungal drugs in different studies. The aim of this study was to investigate the in vitro susceptibilities of Candida spp. to moxifloxacin (MOX) alone and MOX + amphotericin B (AmB) combination. A total of 20 strains were included to the study, of which 19 were clinical isolates (10 Candida albicans, 4 Candida glabrata, 2 Candida parapsilosis, 1 Candida tropicalis, 1 Candida pelliculosa ve 1 Candida sake) and 1 was a standard strain (C. albicans ATCC 90028). In vitro susceptibilities of the strains to MOX with AmB were investigated by broth microdilution method according to the recommendations of the Clinical and Laboratory Standards Institute (CLSI), and in vitro interaction of these drugs were determined by a chequerboard titration method. Minimal inhibitory concentration (MIC) values of Candida spp. for MOX were found > or = 400 microg/ml indicating that MOX, by itself has no antifungal activity. AmB MIC values were found 1 microg/ml in 11 of the clinical isolates, and < or = 0.5 microg/ml in the other 8 clinical isolates and 1 standard strain. The inhibitor activity of AmB was slightly enhanced when combined with MOX, there being a decrease of 1-4 fold dilutions in the AmB MICs against all isolates tested. Synergistic effect between MOX and AmB, defined as a fractional inhibitory concentration (FIC) index as < or = 0.5, was observed in 90% (18/20; all were clinical isolates) of the strains, whereas indifferent effect (FIC = 1) was detected in 10% (2/20; 1 was clinical and 1 was standard strain) of the strains. Antagonistic effect was not observed for this combination even at 48th hours. It was concluded that these preliminary results should be confirmed by large-scaled in vitro and in vivo studies to evaluate MOX + AmB combination as a therapeutic option for the treatment of Candida infections.

The effect of resveratrol on protecting corneal epithelial cells from cytotoxicity caused by moxifloxacin and benzalkonium chloride.

PubMed

Tsai, Tzu-Yun; Chen, Ta-Ching; Wang, I-Jong; Yeh, Chao-Yuan; Su, Ming-Jai; Chen, Ruey-Hua; Tsai, Tzu-Hsun; Hu, Fung-Rong

2015-02-10

Moxifloxacin (MOX), a fourth generation fluoroquinolone (FQ), has a wide antibacterial spectrum, but may show cytotoxicity characterized by high productions of reactive oxygen species (ROS). This study investigated the protective role of a common antioxidant agent, resveratrol (trans-3,5,4'-trihydroxystilbene), against the cytotoxicity caused by MOX. Experiments were performed with a human corneal epithelial cell line (HCECs; ATCC-CRL-11515). Another commonly used FQ, levofloxacin (LEV), and the most commonly used preservatives, benzalkonium chloride (BAC), were also used for comparison with MOX. Cell viability and morphologic changes after treatment were evaluated with trypan blue exclusion assay, propidium iodine/annexin V-FITC staining, and flow cytometry. Chemiluminescence immunoassay was used for ROS quantification. MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay, wound healing assay, and intracellular detections of oxidative stress were performed to evaluate the effects of resveratrol. The MOX group, similar to the BAC group, showed significant cell shrinkage and death compared with the LEV group. High ROS production in HCECs of MOX group was observed both by chemiluminescence immunoassay and intracellular images. Within the observations of MTS [3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium] assay, live cell images, and wound healing process in vitro, the cytotoxic effects of the MOX and BAC groups were opposed by resveratrol. Human corneal epithelial cells pretreated with resveratrol demonstrated better cell viability and healing rate in the early stage. The protective effects of antioxidant agents indicate that MOX, similar to BAC, causes oxidative stress-related cell damage. The results also inspired us to think about a "supplementary regimen" to increase safety and decrease the adverse effect in the treatment of corneal infections. Copyright 2015 The Association for Research in Vision and Ophthalmology, Inc.

Sensory characteristics changes of red Grenache wines submitted to different oxygen exposures pre and post bottling.

PubMed

Caillé, Soline; Samson, Alain; Wirth, Jérémie; Diéval, Jean-Baptiste; Vidal, Stéphane; Cheynier, Véronique

2010-02-15

It is widely accepted that oxygen contributes to wine development by impacting its colour, aromatic bouquet, and mouth-feel properties. The wine industry can now also take advantage of engineered solutions to deliver known amounts of oxygen into bottles through the closures. This study was aimed at monitoring the influence of oxygen pick-up, before (micro-oxygenation, Mox) and after (nano-oxygenation) bottling, on wine sensory evolution. Red Grenache wines were prepared either by flash release (FR) or traditional soaking (Trad) and with or without Mox during elevage (FR+noMox, FR+Mox, Trad+noMox, Trad+Mox). The rate of nano oxygenation was controlled by combining consistent oxygen transfer rate (OTR) closures and different oxygen controlled storage conditions. Wine sensory characteristics were analyzed by sensory profile, at bottling (T0) and after 5 and 10 months of ageing, by a panel of trained judges. Effects of winemaking techniques and OTR were analyzed by multivariate analysis (principal component analysis and agglomerative hierarchical clustering) and analysis of variance. Results showed that, at bottling, Trad wines were perceived more animal and FR wines more bitter and astringent. Mox wines showed more orange shade. At 5 and 10 months, visual and olfactory differences were observed according to the OTR levels: modalities with higher oxygen ingress were darker and fruitier but also perceived significantly less animal than modalities with lower oxygen. Along the 10 months of ageing, the influence of OTR became more important as shown by increased significance levels of the observed differences. As the mouth-feel properties of the wines were mainly dictated by winemaking techniques, OTR had only little impact on "in mouth" attributes. Copyright 2009 Elsevier B.V. All rights reserved.

Experience from start-ups of the first ANITA Mox plants.

PubMed

Christensson, M; Ekström, S; Andersson Chan, A; Le Vaillant, E; Lemaire, R

2013-01-01

ANITA™ Mox is a new one-stage deammonification Moving-Bed Biofilm Reactor (MBBR) developed for partial nitrification to nitrite and autotrophic N-removal from N-rich effluents. This deammonification process offers many advantages such as dramatically reduced oxygen requirements, no chemical oxygen demand requirement, lower sludge production, no pre-treatment or requirement of chemicals and thereby being an energy and cost efficient nitrogen removal process. An innovative seeding strategy, the 'BioFarm concept', has been developed in order to decrease the start-up time of new ANITA Mox installations. New ANITA Mox installations are started with typically 3-15% of the added carriers being from the 'BioFarm', with already established anammox biofilm, the rest being new carriers. The first ANITA Mox plant, started up in 2010 at Sjölunda wastewater treatment plant (WWTP) in Malmö, Sweden, proved this seeding concept, reaching an ammonium removal rate of 1.2 kgN/m³ d and approximately 90% ammonia removal within 4 months from start-up. This first ANITA Mox plant is also the BioFarm used for forthcoming installations. Typical features of this first installation were low energy consumption, 1.5 kW/NH4-N-removed, low N₂O emissions, <1% of the reduced nitrogen and a very stable and robust process towards variations in loads and process conditions. The second ANITA Mox plant, started up at Sundets WWTP in Växjö, Sweden, reached full capacity with more than 90% ammonia removal within 2 months from start-up. By applying a nitrogen loading strategy to the reactor that matches the capacity of the seeding carriers, more than 80% nitrogen removal could be obtained throughout the start-up period.

Microwave-assisted hydrothermal synthesis of Ag₂(W(1-x)Mox)O₄ heterostructures: Nucleation of Ag, morphology, and photoluminescence properties.

PubMed

Silva, M D P; Gonçalves, R F; Nogueira, I C; Longo, V M; Mondoni, L; Moron, M G; Santana, Y V; Longo, E

2016-01-15

Ag2W(1-x)MoxO4 (x=0.0 and 0.50) powders were synthesized by the co-precipitation (drop-by-drop) method and processed using a microwave-assisted hydrothermal method. We report the real-time in situ formation and growth of Ag filaments on the Ag2W(1-x)MoxO4 crystals using an accelerated electron beam under high vacuum. Various techniques were used to evaluate the influence of the network-former substitution on the structural and optical properties, including photoluminescence (PL) emission, of these materials. X-ray diffraction results confirmed the phases obtained by the synthesis methods. Raman spectroscopy revealed significant changes in local order-disorder as a function of the network-former substitution. Field-emission scanning electron microscopy was used to determine the shape as well as dimensions of the Ag2W(1-x)MoxO4 heterostructures. The PL spectra showed that the PL-emission intensities of Ag2W(1-x)MoxO4 were greater than those of pure Ag2WO4, probably because of the increase of intermediary energy levels within the band gap of the Ag2W(1-x)MoxO4 heterostructures, as evidenced by the decrease in the band-gap values measured by ultraviolet-visible spectroscopy. Copyright © 2015 Elsevier B.V. All rights reserved.

Myeloperoxidase Oxidized LDL Interferes with Endothelial Cell Motility through miR-22 and Heme Oxygenase 1 Induction: Possible Involvement in Reendothelialization of Vascular Injuries

PubMed Central

Daher, Jalil; Martin, Maud; Rousseau, Alexandre; Nuyens, Vincent; Fayyad-Kazan, Hussein; Van Antwerpen, Pierre; Courbebaisse, Guy; Martiat, Philippe; Badran, Bassam; Dequiedt, Frank

2014-01-01

Cardiovascular disease linked to atherosclerosis is the leading cause of death worldwide. Atherosclerosis is mainly linked to dysfunction in vascular endothelial cells and subendothelial accumulation of oxidized forms of LDL. In the present study, we investigated the role of myeloperoxidase oxidized LDL (Mox-LDL) in endothelial cell dysfunction. We studied the effect of proinflammatory Mox-LDL treatment on endothelial cell motility, a parameter essential for normal vascular processes such as angiogenesis and blood vessel repair. This is particularly important in the context of an atheroma plaque, where vascular wall integrity is affected and interference with its repair could contribute to progression of the disease. We investigated in vitro the effect of Mox-LDL on endothelial cells angiogenic properties and we also studied the signalling pathways that could be affected by analysing Mox-LDL effect on the expression of angiogenesis-related genes. We report that Mox-LDL inhibits endothelial cell motility and tubulogenesis through an increase in miR-22 and heme oxygenase 1 expression. Our in vitro data indicate that Mox-LDL interferes with parameters associated with angiogenesis. They suggest that high LDL levels in patients would impair their endothelial cell capacity to cope with a damaged endothelium contributing negatively to the progression of the atheroma plaque. PMID:25530680

Thermal conductivity of heterogeneous LWR MOX fuels

NASA Astrophysics Data System (ADS)

Staicu, D.; Barker, M.

2013-11-01

It is generally observed that the thermal conductivity of LWR MOX fuel is lower than that of pure UO2. For MOX, the degradation is usually only interpreted as an effect of the substitution of U atoms by Pu. This hypothesis is however in contradiction with the observations of Duriez and Philiponneau showing that the thermal conductivity of MOX is independent of the Pu content in the ranges 3-15 and 15-30 wt.% PuO2 respectively. Attributing this degradation to Pu only implies that stoichiometric heterogeneous MOX can be obtained, while we show that any heterogeneity in the plutonium distribution in the sample introduces a variation in the local stoichiometry which in turn has a strong impact on the thermal conductivity. A model quantifying this effect is obtained and a new set of experimental results for homogeneous and heterogeneous MOX fuels is presented and used to validate the proposed model. In irradiated fuels, this effect is predicted to disappear early during irradiation. The 3, 6 and 10 wt.% Pu samples have a similar thermal conductivity. Comparison of the results for this homogeneous microstructure with MIMAS (heterogeneous) fuel of the same composition showed no difference for the Pu contents of 3, 5.9, 6, 7.87 and 10 wt.%. A small increase of the thermal conductivity was obtained for 15 wt.% Pu. This increase is of about 6% when compared to the average of the values obtained for 3, 6 and 10 wt.% Pu. For comparison purposes, Duriez also measured the thermal conductivity of FBR MOX with 21.4 wt.% Pu with O/M = 1.982 and a density close to 95% TD and found a value in good agreement with the estimation obtained using the formula of Philipponneau [8] for FBR MOX, and significantly lower than his results corresponding to the range 3-15 wt.% Pu. This difference in thermal conductivity is of about 20%, i.e. higher than the measurement uncertainties.Thus, a significant difference was observed between FBR and PWR MOX fuels, but was not explained. This difference was observed for hypostoichiometric fuels, that correspond to the condition used for irradiation. However, if these two formulas are evaluated for O/M = 2.000, the difference between the predictions is negligible (Fig. 1). The difference becomes significant for non-stoichiometric fuels, as shown for O/M = 1.975 in Fig. 1. The microstructure of the FBR fuel with 21.4 wt.% Pu was not described in the paper of Duriez. Taking into account the rigorous experimental methodology used by Duriez (characterisation of the stoichiometry), a possible explanation is an interaction between the plutonium distribution and the stoichiometry. Another parameter having a strong impact on the conductivity is the porosity correction used to obtain the values for 95% TD. This correction is small in the work of Duriez as the samples density is very close to 95% TD. This was also the case for the samples selected by Philipponneau in order to obtain his recommendation. An effect due to differences in the pores shape can also be excluded, as the results are identical for stoichiometric fuels (Fig. 1). Usually the apparent stoichiometry is obtained by heat treatments and checked before and after the measurements, either by XRD or thermogravimetry. However, for non-perfectly homogeneous samples, the gradients in the plutonium distribution induce a non-uniform oxygen distribution, which is difficult to characterise experimentally. It has been proposed by Baron that the deviation from stoichiometry is the main cause for the differences observed between fresh UO2 and MOX [14,15], this effect is quantified in the next section. In the first model ("Model 1"), the effect of Pu is neglected over the entire relevant Pu compositions range (up to 24 wt.% PuO2), and a correlation obtained for non-stoichiometric homogeneous (U,Pu)O2 is used. In the second model ("Model 2", the effect of Pu is supposed to be present at all compositions, with the stoichiometry effect. The thermal conductivity is described by the correlations of Fink [16] for the UO2 matrix, Duriez at low PuO2 contents (coating phase) and of Philipponneau at high PuO2 contents (agglomerates). For the first model, applying a correlation for non-stoichiometric UO2 would be relevant, but such a correlation does not exist for physical reasons in the hypostoichiometric domain. A correlation for homogeneous (U,Pu)O2+x has to be obtained in order to predict the thermal conductivity of heterogeneous MOX fuel, supposing that the effect of Pu can be neglected, i.e. supposing that the thermal conductivities of homogeneous (U,Pu)O2 and UO2 are equal both for stoichiometric and non-stoichiometric fuels. Such a correlation has to be obtained considering reliable data for stoichiometric UO2 and stoichiometry dependence. Different correlations for non-stoichiometric fuels were reviewed [2,8,12,13,15,35,36]. The correlation of Martin [36], available for hyperstoichiometric UO2, was evaluated in the hypostoichiometric domain and the predictions were found to give a stoichiometry dependence very similar to a correlation already proposed [15]. Investigations by Molecular Dynamics [37] have confirmed the almost symmetric effect of the hypo- and hyper-stoichiometry in UO2. We therefore use the correlation of Martin, with however a correction, as for stoichiometric fuels it over predicts the conductivity of stoichiometric UO2 at high temperatures, when compared to the recommendation of Fink [16] (Fig. 4). Analysis has shown that this over-prediction was due to the high temperature term in the correlation of Martin, and that, if this term is removed, the predictions of Martin and Fink were identical for stoichiometric fuels in the temperature range 500-1500 K. The correlation proposed for homogeneous MOX is therefore given by the following equation. k=(0.035 The series and parallel bounds (Eq. (2)) were calculated using the thermal conductivity values given by Eq. (5) for the heterogeneous MOX constituents and the maximum difference between these two bounds is 2% over the considered temperature range. The predictions obtained with the equations of Maxwell-Eucken (Eq. (3)) and Bergman (Eq. (4)) are equal and are in the interval between the series and parallel bounds. This result shows that the use of a sophisticated analytical or numerical model to predict the thermal conductivity is not justified [38]. The model of Maxwell-Eucken [31] was therefore chosen to predict the equivalent thermal conductivity of the heterogeneous MOX.The equivalent thermal conductivity of the stoichiometric heterogeneous MOX with an average PuO2 content of 7.2 wt.% (constituted by a stoichiometric UO2 matrix containing 15 vol.% of (U0.76Pu0.24)O1.975 agglomerates and 55 vol.% of a coating phase of (U0.94Pu0.06)O1.995) was calculated. The results show that the apparent thermal conductivity of the heterogeneous MOX, calculated using homogeneous MOX data (Eq. (5)) with O/M = 2.000, 1.995 and 1.975 (labeled Model 1 in Fig. 4) is not significantly different from the values measured by Duriez. The latter values are also very similar to the thermal conductivity of homogeneous MOX with O/M = 1.995. This simple model shows that the stoichiometry effect is sufficient to explain the lower thermal conductivity of LWR MOX fuel as compared to UO2. The advantage of this simple model is its consistency, as the calculations for the heterogeneous MOX are based on a unique formula for non-stoichiometric homogeneous (U,Pu)O2.In the second model, the effect of the plutonium is taken into account for the coating phase and for the Pu-rich agglomerates. The thermal conductivity is described by the correlations of Fink [16] for UO2.000, of Duriez et al. [2] for (U0.94Pu0.06)O1.995 (coating phase with low PuO2 content) and of Philipponneau [8] for (U0.76Pu0.24)O1.975 (Pu-rich agglomerates with high PuO2 content). The results (labeled Model 2 in Fig. 5) show that the calculated thermal conductivity of the heterogeneous 'stoichiometric' MOX is lower than UO2 and also lower than for stoichiometric MOX as given by Duriez. Therefore taking into account both the heterogeneity in the oxygen distribution and the Pu content leads to an underprediction of the thermal conductivity of heterogeneous MOX. A possible cause for the lower thermal conductivity of unirradiated heterogeneous MOX is therefore the intrinsic fluctuations of the local stoichiometry and only to a lesser extent the perturbation of the heat transfer due to the substitution of the U by Pu atoms in the crystal lattice. This interpretation was already proposed by Baron [14,15]. This assumption is acceptable if the size of the heterogeneities is much smaller that the thickness of the sample. A theoretical criterion for the impact of these parameters, initially proposed by Kerrish [40], was checked experimentally by Lee and Taylor [41] and was found to be too restrictive. The conclusions resulting from the investigations of Lee are that for diffusivity ratios between 1 and 3.5 and volume fractions up to 30%, a ratio of 5 between the sample thickness and inclusions diameter is sufficient. Our heterogeneous samples fulfill this criterion, taking into account that the thermal diffusivity ratio is close to 1 in MOX, that the volume fraction of Pu rich agglomerates is under 30%, and that the agglomerates have a diameter of less than 200 μm compared to the sample (disc) thickness of 1 mm. The most severe requirement that one could use to define a medium behaving like a homogeneous material is that the heat transfer is not affected by the heterogeneities. This is the case for instance if we have a heterogeneous material where the two constituents have equal thermal diffusivity and no thermal resistance is present at the interfaces. This requirement is very close to be perfectly verified for the heterogeneous MOX, as UO2 and (U,Pu)O2 have very close values of the thermal diffusivity. An effect of the sample heterogeneity can also be excluded from the point of view of the location where the thermograms are recorded: the temperature transients on the rear face of the samples are measured with a pyrometer and the system is provided with a lens assembly which enables a 1 mm diameter spot of the sample surface to be focused onto the signal collecting fibre. The thermograms are therefore averaged over a 1 mm diameter surface, which is much larger than the size of the heterogeneities (Pu rich agglomerates with a size of less than 200 μm).The impact of sample thickness on the measured thermal diffusivity was experimentally investigated for the MIMAS MOX with 7.0 wt.% Pu. For this purpose, discs of 0.5, 1, 2, and 3 mm thickness were cut and the thermal diffusivity was measured. The same investigation was done for standard UO2, in order to verify the accuracy of the inverse technique used for the identification of the thermal diffusivity from the thermograms. The inverse technique [39] explicitly takes into account the sample thickness in the calculation of the heat losses. The results for UO2 (Fig. 6) show that the measured thermal diffusivity does not depend on sample thickness, and is in good agreement with the recommendation of Fink [16]. The results for the heterogeneous MOX (Fig. 7) also show no dependence on sample thickness.

Modeling and Comparison of Options for the Disposal of Excess Weapons Plutonium in Russia

DTIC Science & Technology

2002-04-01

fuel LWR cooling time LWR Pu load rate LWR net destruction frac ~ LWR reactors op life mox core frac Excess Separated Pu HTGR Cycle Pu in Waste LWR MOX...reflecting the cycle used in this type of reactor. For the HTGR , the entire core consists of plutonium fuel , therefore a core fraction is not specified...cooling time Time spent fuel unloaded from HTGR reactor must cool before permanently stored 3 years Mox core fraction Fraction of

Effects of low oxygen concentrations on aerobic methane oxidation in seasonally hypoxic coastal waters

NASA Astrophysics Data System (ADS)

Steinle, Lea; Maltby, Johanna; Treude, Tina; Kock, Annette; Bange, Hermann W.; Engbersen, Nadine; Zopfi, Jakob; Lehmann, Moritz F.; Niemann, Helge

2017-03-01

Coastal seas may account for more than 75 % of global oceanic methane emissions. There, methane is mainly produced microbially in anoxic sediments from which it can escape to the overlying water column. Aerobic methane oxidation (MOx) in the water column acts as a biological filter, reducing the amount of methane that eventually evades to the atmosphere. The efficiency of the MOx filter is potentially controlled by the availability of dissolved methane and oxygen, as well as temperature, salinity, and hydrographic dynamics, and all of these factors undergo strong temporal fluctuations in coastal ecosystems. In order to elucidate the key environmental controls, specifically the effect of oxygen availability, on MOx in a seasonally stratified and hypoxic coastal marine setting, we conducted a 2-year time-series study with measurements of MOx and physico-chemical water column parameters in a coastal inlet in the south-western Baltic Sea (Eckernförde Bay). We found that MOx rates generally increased toward the seafloor, but were not directly linked to methane concentrations. MOx exhibited a strong seasonal variability, with maximum rates (up to 11.6 nmol L-1 d-1) during summer stratification when oxygen concentrations were lowest and bottom-water temperatures were highest. Under these conditions, 2.4-19.0 times more methane was oxidized than emitted to the atmosphere, whereas about the same amount was consumed and emitted during the mixed and oxygenated periods. Laboratory experiments with manipulated oxygen concentrations in the range of 0.2-220 µmol L-1 revealed a submicromolar oxygen optimum for MOx at the study site. In contrast, the fraction of methane-carbon incorporation into the bacterial biomass (compared to the total amount of oxidized methane) was up to 38-fold higher at saturated oxygen concentrations, suggesting a different partitioning of catabolic and anabolic processes under oxygen-replete and oxygen-starved conditions, respectively. Our results underscore the importance of MOx in mitigating methane emission from coastal waters and indicate an organism-level adaptation of the water column methanotrophs to hypoxic conditions.

Macrophages as key elements of Mixed-oxide [U-Pu(O2)] distribution and pulmonary damage after inhalation?

PubMed

Van der Meeren, Anne; Moureau, Agnes; Griffiths, Nina M

2014-11-01

Abstract Purpose: To investigate the consequences of alveolar macrophage (AM) depletion on Mixed OXide fuel (MOX: U, Pu oxide) distribution and clearance, as well as lung damage following MOX inhalation. Rats were exposed to MOX by nose only inhalation. AM were depleted with intratracheal administration of liposomal clodronate at 6 weeks. Lung changes, macrophage activation, as well as local and systemic actinide distribution were studied up to 3 months post-inhalation. Clodronate administration modified excretion/retention patterns of α activity. At 3 months post-inhalation lung retention was higher in clodronate-treated rats compared to Phosphate Buffered Saline (PBS)-treated rats, and AM-associated α activity was also increased. Retention in liver was higher in clodronate-treated rats and fecal and urinary excretions were lower. Three months after inhalation, rats exhibited lung fibrotic lesions and alveolitis, with no marked differences between the two groups. Foamy macrophages of M2 subtype [inducible Nitric Oxide Synthase (iNOS) negative but galectin-3 positive] were frequently observed, in correlation with the accumulation of MOX particles. AM from all MOX-exposed rats showed increased chemokine levels as compared to sham controls. Despite the transient reduced AM numbers in clodronate-treated animals no major differences on lung damage were observed as compared to non-treated rats after MOX inhalation. The higher lung activity retention in rats receiving clodronate seems to be part of a general inflammatory response and needs further investigation.

Further observations on OCOM MOX fuel: microstructure in the vicinity of the pellet rim and fuel — cladding interaction

NASA Astrophysics Data System (ADS)

Walker, C. T.; Goll, W.; Matsumura, T.

1997-06-01

The fuel investigated was manufactured by Siemens-KWU and irradiated at low rating in the KWO reactor in Germany. The MOX agglomerates in the cold outer region of the fuel shared several common features with the high burn-up structure at the rim of UO 2 fuel. It is proposed that in both cases the mechanism producing the microstructure change is recrystallisation. Further, it is shown that surface MOX agglomerates do not noticeably retard cladding creepdown although they swell into the gap. The contracting cladding appears able to push the agglomerates back into the fuel. The thickness of the oxide layer on the inner cladding surface increased at points where contact with surface MOX agglomerates had occurred. Despite this, the mean thickness of the oxide did not differ significantly from that found in UO 2 fuel rods of like design. It is judged that the high burn-up structure will form in the UO 2 matrix when the local burn-up there reaches 60 to 80 GWd/tM. Limiting the MOX scrap addition in the UO 2 matrix will delay its formation.

Chemical bonds and vibrational properties of ordered (U, Np, Pu) mixed oxides

NASA Astrophysics Data System (ADS)

Yang, Yu; Zhang, Ping

2013-01-01

We use density functional theory +U to investigate the chemical bonding characters and vibrational properties of the ordered (U, Np, Pu) mixed oxides (MOXs), UNpO4,NpPuO4, and UPuO4. It is found that the 5f electronic states of different actinide elements keep their localized characters in all three MOXs. The occupied 5f electronic states of different actinide elements do not overlap with each other and tend to distribute over the energy band gap of the other actinide element's 5f states. As a result, the three ordered MOXs all show smaller band gaps than those of the component dioxides, with values of 0.91, 1.47, and 0.19 eV for UNpO4,NpPuO4, and UPuO4, respectively. Through careful charge density analysis, we further show that the U-O and Pu-O bonds in MOXs show more ionic character than in UO2 and PuO2, while the Np-O bonds show more covalent character than in NpO2. The change in covalencies in the chemical bonds leads to vibrational frequencies of oxygen atoms that are different in MOXs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burke, Timothy P.; Martz, Roger L.; Kiedrowski, Brian C.

New unstructured mesh capabilities in MCNP6 (developmental version during summer 2012) show potential for conducting multi-physics analyses by coupling MCNP to a finite element solver such as Abaqus/CAE[2]. Before these new capabilities can be utilized, the ability of MCNP to accurately estimate eigenvalues and pin powers using an unstructured mesh must first be verified. Previous work to verify the unstructured mesh capabilities in MCNP was accomplished using the Godiva sphere [1], and this work attempts to build on that. To accomplish this, a criticality benchmark and a fuel assembly benchmark were used for calculations in MCNP using both the Constructivemore » Solid Geometry (CSG) native to MCNP and the unstructured mesh geometry generated using Abaqus/CAE. The Big Ten criticality benchmark [3] was modeled due to its geometry being similar to that of a reactor fuel pin. The C5G7 3-D Mixed Oxide (MOX) Fuel Assembly Benchmark [4] was modeled to test the unstructured mesh capabilities on a reactor-type problem.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

S. Bays; W. Skerjanc; M. Pope

A comparative analysis and comparison of results obtained between 2-D lattice calculations and 3-D full core nodal calculations, in the frame of MOX fuel design, was conducted. This study revealed a set of advantages and disadvantages, with respect to each method, which can be used to guide the level of accuracy desired for future fuel and fuel cycle calculations. For the purpose of isotopic generation for fuel cycle analyses, the approach of using a 2-D lattice code (i.e., fuel assembly in infinite lattice) gave reasonable predictions of uranium and plutonium isotope concentrations at the predicted 3-D core simulation batch averagemore » discharge burnup. However, it was found that the 2-D lattice calculation can under-predict the power of pins located along a shared edge between MOX and UO2 by as much as 20%. In this analysis, this error did not occur in the peak pin. However, this was a coincidence and does not rule out the possibility that the peak pin could occur in a lattice position with high calculation uncertainty in future un-optimized studies. Another important consideration in realistic fuel design is the prediction of the peak axial burnup and neutron fluence. The use of 3-D core simulation gave peak burnup conditions, at the pellet level, to be approximately 1.4 times greater than what can be predicted using back-of-the-envelope assumptions of average specific power and irradiation time.« less

Solid oxide membrane-assisted controllable electrolytic fabrication of metal carbides in molten salt.

PubMed

Zou, Xingli; Zheng, Kai; Lu, Xionggang; Xu, Qian; Zhou, Zhongfu

2016-08-15

Silicon carbide (SiC), titanium carbide (TiC), zirconium carbide (ZrC), and tantalum carbide (TaC) have been electrochemically produced directly from their corresponding stoichiometric metal oxides/carbon (MOx/C) precursors by electrodeoxidation in molten calcium chloride (CaCl2). An assembled yttria stabilized zirconia solid oxide membrane (SOM)-based anode was employed to control the electrodeoxidation process. The SOM-assisted controllable electrochemical process was carried out in molten CaCl2 at 1000 °C with a potential of 3.5 to 4.0 V. The reaction mechanism of the electrochemical production process and the characteristics of these produced metal carbides (MCs) were systematically investigated. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy analyses clearly identify that SiC, TiC, ZrC, and TaC carbides can be facilely fabricated. SiC carbide can be controlled to form a homogeneous nanowire structure, while the morphologies of TiC, ZrC, and TaC carbides exhibit porous nodular structures with micro/nanoscale particles. The complex chemical/electrochemical reaction processes including the compounding, electrodeoxidation, dissolution-electrodeposition, and in situ carbonization processes in molten CaCl2 are also discussed. The present results preliminarily demonstrate that the molten salt-based SOM-assisted electrodeoxidation process has the potential to be used for the facile and controllable electrodeoxidation of MOx/C precursors to micro/nanostructured MCs, which can potentially be used for various applications.

Irradiation performance of PFBR MOX fuel after 112 GWd/t burn-up

NASA Astrophysics Data System (ADS)

Venkiteswaran, C. N.; Jayaraj, V. V.; Ojha, B. K.; Anandaraj, V.; Padalakshmi, M.; Vinodkumar, S.; Karthik, V.; Vijaykumar, Ran; Vijayaraghavan, A.; Divakar, R.; Johny, T.; Joseph, Jojo; Thirunavakkarasu, S.; Saravanan, T.; Philip, John; Rao, B. P. C.; Kasiviswanathan, K. V.; Jayakumar, T.

2014-06-01

The 500 MWe Prototype Fast Breeder Reactor (PFBR) which is in advanced stage of construction at Kalpakkam, India, will use mixed oxide (MOX) fuel with a target burnup of 100 GWd/t. The fuel pellet is of annular design to enable operation at a peak linear power of 450 W/cm with the requirement of minimum duration of pre-conditioning. The performance of the MOX fuel and the D9 clad and wrapper material was assessed through Post Irradiation Examinations (PIE) after test irradiation of 37 fuel pin subassembly in Fast Breeder Test Reactor (FBTR) to a burn-up of 112 GWd/t. Fission product distribution, swelling and fuel-clad gap evolution, central hole diameter variation, restructuring, fission gas release and clad wastage due to fuel-clad chemical interaction were evaluated through non-destructive and destructive examinations. The examinations have indicated that the MOX fuel can safely attain the desired target burn-up in PFBR.

Synthesis, characterization and antimicrobial investigation of some moxifloxacin metal complexes

NASA Astrophysics Data System (ADS)

Sadeek, Sadeek A.; El-Shwiniy, Walaa H.; El-Attar, Mohamed S.

2011-12-01

The new complexes of moxifloxacin (MOX), with Ti(IV), Y(III), Pd(II) and Ce(IV) have been synthesized. These complexes were then characterized by melting point, magnetic studies and spectroscopic techniques involving infrared spectra (IR), UV-Vis, 1H NMR. C, H, N and halogen elemental analysis and thermal behavior of complexes also investigated. The results suggested that the molar ratio for all complexes is M: MOX = 1:2 where moxifloxacin acts as a bidentate via one of the oxygen atoms of the carboxylate group and through the ring carbonyl group and the complexes have the following formula [Ti(MOX) 2](SO 4) 2·7H 2O, [Y(MOX) 2Cl 2]Cl·12H 2O, [Pd(MOX) 2(H 2O) 2]Cl 2·6H 2O and [Ce(MOX) 2](SO 4) 2·2H 2O. The activation energies, E*, enthalpies, Δ H*, entropies, Δ S* and Gibbs free energies, Δ G*, of the thermal decomposition reactions have been derived from thermogravimetric (TGA) and differential thermogravimetric (DrTG) curves, using Coats-Redfern (CR) and Horowitz-Metzger (HM) methods. The antimicrobial activity of these complexes has been evaluated against three Gram-positive and three Gram-negative bacteria and compared with the reference drug moxifloxacin. The antibacterial activity of Ti(IV) complex is significant for E. coli K32 and highly significant for S. aureus K1, B. subtilis K22, Br. otitidis K76, P. aeruginosa SW1 and K. oxytoca K42 compared with free moxifloxacin.

Cloning of a methanol-inducible moxF promoter and its analysis in moxB mutants of Methylobacterium extorquens AM1rif.

PubMed Central

Morris, C J; Lidstrom, M E

1992-01-01

In Methylobacterium extorquens AM1, gene encoding methanol dehydrogenase polypeptides are transcriptionally regulated in response to C1 compounds, including methanol (M. E. Lidstrom and D. I. Stirling, Annu. Rev. Microbiol. 44:27-57, 1990). In order to study this regulation, a transcriptional fusion has been constructed between a beta-galactosidase reporter gene and a 1.55-kb XhoI-SalI fragment of M. extorquens AM1rif DNA encoding the N terminus of the methanol dehydrogenase large subunit (moxF) and 1,289 bp of upstream DNA. The fusion exhibited orientation-specific promoter activity in M. extorquens AM1rif but was expressed constitutively when the transcriptional fusion was located on the plasmid. However, correct regulation was restored when the construction was inserted in the M. extorquens AM1rif chromosome. This DNA fragment was shown to contain both the moxFJGI promoter and the sequences necessary in cis for its transcriptional regulation by methanol. Transcription from this promoter was studied in the M. extorquens AM1rif moxB mutant strains UV4rif and UV25rif, which have a pleiotropic phenotype with regard to the components of methanol oxidation. In these mutants, beta-galactosidase activity from the fusion was reduced to a level equal to that of the vector background when the fusion was present in both plasmid and chromosomal locations. Since both constitutive and methanol-inducible promoter activities were lost in the mutants, moxB appears to be required for transcription of the genes encoding the methanol dehydrogenase polypeptides. Images PMID:1624436

Design of a fuel element for a lead-cooled fast reactor

NASA Astrophysics Data System (ADS)

Sobolev, V.; Malambu, E.; Abderrahim, H. Aït

2009-03-01

The options of a lead-cooled fast reactor (LFR) of the fourth generation (GEN-IV) reactor with the electric power of 600 MW are investigated in the ELSY Project. The fuel selection, design and optimization are important steps of the project. Three types of fuel are considered as candidates: highly enriched Pu-U mixed oxide (MOX) fuel for the first core, the MOX containing between 2.5% and 5.0% of the minor actinides (MA) for next core and Pu-U-MA nitride fuel as an advanced option. Reference fuel rods with claddings made of T91 ferrite-martensitic steel and two alternative fuel assembly designs (one uses a closed hexagonal wrapper and the other is an open square variant without wrapper) have been assessed. This study focuses on the core variant with the closed hexagonal fuel assemblies. Based on the neutronic parameters provided by Monte-Carlo modeling with MCNP5 and ALEPH codes, simulations have been carried out to assess the long-term thermal-mechanical behaviour of the hottest fuel rods. A modified version of the fuel performance code FEMAXI-SCK-1, adapted for fast neutron spectrum, new fuels, cladding materials and coolant, was utilized for these calculations. The obtained results show that the fuel rods can withstand more than four effective full power years under the normal operation conditions without pellet-cladding mechanical interaction (PCMI). In a variant with solid fuel pellets, a mild PCMI can appear during the fifth year, however, it remains at an acceptable level up to the end of operation when the peak fuel pellet burnup ∼80 MW d kg-1 of heavy metal (HM) and the maximum clad damage of about 82 displacements per atom (dpa) are reached. Annular pellets permit to delay PCMI for about 1 year. Based on the results of this simulation, further steps are envisioned for the optimization of the fuel rod design, aiming at achieving the fuel burnup of 100 MW d kg-1 of HM.

Microoxidation in wine production.

PubMed

Kilmartin, Paul A

2010-01-01

Microoxygenation (MOX) is now widely applied for the maturation of red wines as an alternative to barrel aging. The proposed improvements in wine quality arising from MOX include color stabilization, removal of unwanted off-odors, and improvements in wine mouthfeel. In this review, an outline is provided of oxygenation systems, particularly microbullage and polymer membrane delivery, and of the current understanding of wine oxidation processes. A summary of the results from published studies into red wine MOX is then provided, beginning with observations on O(2) and acetaldehyde accumulation, and the moderating effect of added sulfur dioxide. Effects upon red wine color, particularly the more rapid formation of polymeric pigments and higher color retention, have been consistently demonstrated in MOX studies, along with further effects on specific polyphenol compounds. A few reports have recently examined the effect of MOX on red wine aromas, but these have yet to identify compounds that consistently change in a manner that would explain sensory observations regarding a lowering of herbaceous and reductive odors. Likewise, tannin analyses have been undertaken in several studies, but explanations of the decline in wine astringency remain to be developed. The accelerated growth of unwanted microorganisms has also been examined in a limited number of studies, but no major problems have been identified in this area. Copyright © 2010 Elsevier Inc. All rights reserved.

Bi2MoxW1-xO6 solid solutions with tunable band structure and enhanced visible-light photocatalytic activities

NASA Astrophysics Data System (ADS)

Li, Wenqi; Ding, Xingeng; Wu, Huating; Yang, Hui

2018-07-01

Semiconductor photocatalysis is an effective green way to combat water pollution. For the first time, this study reports a novel method to develop Bi2MoxW1-xO6 solid solution with microsphere structure through anion-exchange method. All Bi2MoxW1-xO6 samples exhibit an Aurivillius-type crystal structure without any secondary phase, confirming that in complete solid solutions as the value of x increases, the band gap energy of Bi2MoxW1-xO6 solid solutions decreases, while the optical absorption edge moves to longer wavelength. The Raman spectra research shows an increase in orthorhombic distortion with progressive replacement of W sites in Bi2WO6 with Mo6+ ions. Compared to Bi2MoO6 and Bi2WO6 samples, Bi2Mo0.4W0.6O6 sample displayed best photocatalytic activity and cycling stability for degradation of RhB dye. The enhanced photocatalytic activity of Bi2Mo0.4W0.6O6 sample can be synergetically linked to hierarchical hollow structure, enhanced light absorbance, and high carrier-separation efficiency. Additionally, the hollow Bi2MoxW1-xO6 microspheres formation can be attributed to the Kirkendall effect.

Moxidectin: a review of chemistry, pharmacokinetics and use in horses

PubMed Central

Cobb, Rami; Boeckh, Albert

2009-01-01

This article reviews the current knowledge of the use of moxidectin (MOX) in horses, including its mode of action, pharmacokinetic and pharmacodynamic properties, efficacy, safety and resistance profile. Moxidectin is a second generation macrocyclic lactone (ML) with potent endectocide activity. It is used for parasite control in horses in an oral gel formulation. The principal mode of action of MOX and of other MLs is binding to gamma-aminobutyric (GABA) and glutamate-gated chloride channels. Moxidectin is different from other MLs in that it is a poor substrate for P-glycoproteins (P-gps) and therefore less susceptible to elimination from parasite cells through this mechanism. Due to its unique physicochemical and pharmacokinetic characteristics, MOX provides broad distribution into tissues, long half-life, significant residual antiparasitic activity, and high efficacy against encysted cyathostomin larvae. These characteristics allow for high efficacy and longer treatment interval against all important nematodes, when compared to other equine anthelmintics. A combination of MOX with praziquantel provides expanded spectrum of activity by adding activity against cestodes. Appropriate use of MOX allows for the development of strategic anthelmintic programmes that are different from those with conventional anthelmintics. Fewer treatments are required over a period of time, and therefore impose less frequent selection pressure for resistance. PMID:19778466

Multirecycling of Plutonium from LMFBR Blanket in Standard PWRs Loaded with MOX Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sonat Sen; Gilles Youinou

2013-02-01

It is now well-known that, from a physics standpoint, Pu, or even TRU (i.e. Pu+M.A.), originating from LEU fuel irradiated in PWRs can be multirecycled also in PWRs using MOX fuel. However, the degradation of the isotopic composition during irradiation necessitates using enriched U in conjunction with the MOX fuel either homogeneously or heterogeneously to maintain the Pu (or TRU) content at a level allowing safe operation of the reactor, i.e. below about 10%. The study is related to another possible utilization of the excess Pu produced in the blanket of a LMFBR, namely in a PWR(MOX). In this casemore » the more Pu is bred in the LMFBR, the more PWR(MOX) it can sustain. The important difference between the Pu coming from the blanket of a LMFBR and that coming from a PWR(LEU) is its isotopic composition. The first one contains about 95% of fissile isotopes whereas the second one contains only about 65% of fissile isotopes. As it will be shown later, this difference allows the PWR fed by Pu from the LMFBR blanket to operate with natural U instead of enriched U when it is fed by Pu from PWR(LEU)« less

Fabrication of CeO2–MOx (M = Cu, Co, Ni) composite yolk–shell nanospheres with enhanced catalytic properties for CO oxidation

PubMed Central

Shi, Jingjing; Cao, Hongxia; Wang, Ruiyu

2017-01-01

CeO2–MOx (M = Cu, Co, Ni) composite yolk–shell nanospheres with uniform size were fabricated by a general wet-chemical approach. It involved a non-equilibrium heat-treatment of Ce coordination polymer colloidal spheres (Ce-CPCSs) with a proper heating rate to produce CeO2 yolk–shell nanospheres, followed by a solvothermal treatment of as-synthesized CeO2 with M(CH3COO)2 in ethanol solution. During the solvothermal process, highly dispersed MOx species were decorated on the surface of CeO2 yolk–shell nanospheres to form CeO2–MOx composites. As a CO oxidation catalyst, the CeO2–MOx composite yolk–shell nanospheres showed strikingly higher catalytic activity than naked CeO2 due to the strong synergistic interaction at the interface sites between MOx and CeO2. Cycling tests demonstrate the good cycle stability of these yolk–shell nanospheres. The initial concentration of M(CH3COO)2·xH2O in the synthesis process played a significant role in catalytic performance for CO oxidation. Impressively, complete CO conversion as reached at a relatively low temperature of 145 °C over the CeO2–CuOx-2 sample. Furthermore, the CeO2–CuOx catalyst is more active than the CeO2–CoOx and CeO2–NiO catalysts, indicating that the catalytic activity is correlates with the metal oxide. Additionally, this versatile synthesis approach can be expected to create other ceria-based composite oxide systems with various structures for a broad range of technical applications. PMID:29234577

Structural, electronic, magnetic and optical properties of semiconductor Zn1-xMoxTe compound

NASA Astrophysics Data System (ADS)

Feng, Zhong-Ying; Zhang, Jian-Min

2018-03-01

The structural, electronic, magnetic and optical properties of the Zn1-xMoxTe (x = 0.00, 0.25, 0.50, 0.75, 1.00) have been investigated by the spin-polarized first-principles calculations. The Zn0.50Mo0.50Te has tetragonal structure while the Zn1-xMoxTe (x = 0.00, 0.25, 0.75, 1.00) crystallize in cubic structures. For Zn1-xMoxTe (x = 0.25, 0.50, 0.75, 1.00) alloys, the lattice constant and the volume are found larger than those of pure ZnTe alloy. The Zn1-xMoxTe (x = 0.25, 0.50, 0.75, 1.00) is magnetic and the Mo element is found dominant in the bands crossing the Fermi level in the spin-up channel. The Zn0.75Mo0.25Te and MoTe have half-metallic (HM) behavior. In spin-down channel of the Zn0.75Mo0.25Te, the Zn atom mainly contributed to the conduction band minimum (CBM), while the valence band maximum (VBM) appears mainly due to contribution of Te element. A positive spin splitting and crystal field splitting of d-states of Mo atom has been observed for Zn0.75Mo0.25Te alloy. The maximum values of the absorption coefficients αMAX(ω) of the Zn0.50Mo0.50Te alloy along a or b axes are smaller than the absorption coefficient along c axis. The first absorption peak appearing in the energy range of 0.000-1.000 eV for Zn1-xMoxTe (x = 0.25, 0.50, 0.75 or 1.00) alloys is the new peak which is not observed in ZnTe.

Cooccurrence of Multiple AmpC β-Lactamases in Escherichia coli, Klebsiella pneumoniae, and Proteus mirabilis in Tunisia.

PubMed

Chérif, Thouraya; Saidani, Mabrouka; Decré, Dominique; Boutiba-Ben Boubaker, Ilhem; Arlet, Guillaume

2016-01-01

Over a period of 40 months, plasmid-mediated AmpC β-lactamases were detected in Tunis, Tunisia, in 78 isolates (0.59%) of Escherichia coli, Klebsiella pneumoniae, and Proteus mirabilis. In 67 isolates, only one ampC gene was detected, i.e., blaCMY-2-type (n = 33), blaACC (n = 23), blaDHA (n = 6) or blaEBC (n = 5). Multiple ampC genes were detected in 11 isolates, with the following distribution: blaMOX-2, blaFOX-3, and blaCMY-4/16 (n = 6), blaFOX-3 and blaMOX-2 (n = 3), and blaCMY-4 and blaMOX-2 (n = 2). A great variety of plasmids carrying these genes was found, independently of the species and the bla gene. If the genetic context of blaCMY-2-type is variable, that of blaMOX-2, reported in part previously, is unique and that of blaFOX-3 is unique and new. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

The Mars oxidant experiment (MOx) for Mars '96

NASA Technical Reports Server (NTRS)

McKay, C. P.; Grunthaner, F. J.; Lane, A. L.; Herring, M.; Bartman, R. K.; Ksendzov, A.; Manning, C. M.; Lamb, J. L.; Williams, R. M.; Ricco, A. J.;

Computer Based Satellite Design

DTIC Science & Technology

1992-06-01

CELL WIDTH := 2.0; -- cm CELLLENGTH := 2.0; -- cm CELLTHICKNESS := 0.02; -- cm when 7 = > VIDEO. CLEARSCREEN; PUTLINE(C...34 SECURI-Y CLASS-LCATO% Oý Ti-S PAGE REPORT DOCUMENTATION PAGE Mb %. ý,o4 ,78P la REPORT SEC;R;TY CLASSF;CA,O% ’ RES’ - V y’,’ 7 MAR V: NV ’ S...NAME 0O mOx" "Op’t 2- -. (If applicable) Naval Postgraduate School Naval Postgraduate School 6c ADDRESS City State, and ZIPCode) 7 t ADD-ESS ’Cty Stare

Micro-oxygenation of red wine: techniques, applications, and outcomes.

PubMed

Schmidtke, Leigh M; Clark, Andrew C; Scollary, Geoff R

2011-02-01

Wine micro-oxygenation (MOX) is the controlled addition of oxygen to wine in a manner designed to ensure that complete mass transfer of molecular oxygen from gaseous to dissolved state occurs. MOX was initially developed to improve the body, structure, and fruitfulness in red wines with high concentrations of tannins and anthocyanins, by replicating the ingress of oxygen thought to arise from barrel maturation, but without the need for putting all wine to barrel. This review describes the operational parameters essential for the effective performance of the micro-oxidation process as well as the chemical and microbiological outcomes. The methodologies for introducing oxygen into the wine, the rates of oxygen addition, and their relationship to oxygen solubility in the wine matrix are examined. The review focuses on the techniques used for monitoring the MOX process, including sensory assessment, physicochemical properties, and the critical balance of the rate of oxygen addition in relation to maintaining the sulfur dioxide concentration. The chemistry of oxygen reactivity with wine components, the changes in wine composition that occur as a consequence of MOX, and the potential for wine spoilage if proper monitoring is not adopted are examined. Gaps in existing knowledge are addressed focusing on the limitations associated with the transfer of concepts from research trials in small volume tanks to commercial practice, and the dearth of kinetic data for the various chemical and physical processes that are claimed to occur during MOX.

Proteome analysis of ofloxacin and moxifloxacin induced mycobacterium tuberculosis isolates by proteomic approach.

PubMed

Lata, Manju; Sharma, Divakar; Kumar, Bhavnesh; Deo, Nirmala; Tiwari, Pramod Kumar; Bisht, Deepa; Venkatesan, Krishnamurthy

2015-01-01

Ofloxacin (OFX) and moxifloxacin (MOX) are the most promising second line drugs for tuberculosis treatment. Although the primary mechanism of action of OFX and MOX is gyrase inhibition, other possible mechanisms cannot be ruled out. Being the functional moiety of cell, the proteins act as primary targets for developing drugs, diagnostics and therapeutics. In this study we have investigated the proteomic changes of Mycobacterium tuberculosis isolates induced by OFX and MOX by applying comparative proteomic approaches based on two-dinensional gel electrophoresis (2DE) along with matrix assisted laser desorption ionisation time of flight mass spectrometry (MALDI TOF/TOF-MS) and bioinformatic tools. The findings are likely to provide new understanding of OFX and MOX mechanisms that might be helpful in exploring new diagnostics and drug targets. Our study explored eleven proteins (Rv2889c, Rv2623, Rv0952, Rv1827, Rv1932, Rv0054, Rv1080c, Rv3418c, Rv3914, Rv1636 and Rv0009) that were overexpressed in the presence of drugs. Among them, Rv2623, Rv1827 and Rv1636 were identified as proteins with unknown function. InterProScan and molecular docking revealed that the conserved domain of hypothetical proteins interact with OFX and MOX which indicate a probable inhibition/modulation of the functioning of these proteins by both drugs, which might be overexpressed to overcome this effect.

Ultrasmall PdmMn1-mOx binary alloyed nanoparticles on graphene catalysts for ethanol oxidation in alkaline media

NASA Astrophysics Data System (ADS)

Ahmed, Mohammad Shamsuddin; Park, Dongchul; Jeon, Seungwon

2016-03-01

A rare combination of graphene (G)-supported palladium and manganese in mixed-oxides binary alloyed catalysts (BACs) have been synthesized with the addition of Pd and Mn metals in various ratios (G/PdmMn1-mOx) through a facile wet-chemical method and employed as an efficient anode catalyst for ethanol oxidation reaction (EOR) in alkaline fuel cells. The as prepared G/PdmMn1-mOx BACs have been characterized by several instrumental techniques; the transmission electron microscopy images show that the ultrafine alloyed nanoparticles (NPs) are excellently monodispersed onto the G. The Pd and Mn in G/PdmMn1-mOx BACs have been alloyed homogeneously, and Mn presents in mixed-oxidized form that resulted by X-ray diffraction. The electrochemical performances, kinetics and stability of these catalysts toward EOR have been evaluated using cyclic voltammetry in 1 M KOH electrolyte. Among all G/PdmMn1-mOx BACs, the G/Pd0.5Mn0.5Ox catalyst has shown much superior mass activity and incredible stability than that of pure Pd catalysts (G/Pd1Mn0Ox, Pd/C and Pt/C). The well dispersion, ultrafine size of NPs and higher degree of alloying are the key factor for enhanced and stable EOR electrocatalysis on G/Pd0.5Mn0.5Ox.

MA transmutation performance in the optimized MYRRHA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malambu, E.; Van den Eynde, G.; Fernandez, R.

MYRRHA (multi-purpose hybrid research reactor for high-tech applications) is a multipurpose research facility currently being developed at SCK-CEN. It will be able to work in both critical and subcritical modes and, cooled by lead-bismuth eutectic. In this paper the minor actinides (MA) transmutation capabilities of MYRRHA are investigated. (Pu + Am, U) MOX fuel and (Np + Am + Cm, Pu) Inert Matrix Fuel test samples have been loaded in the central channel of the MYRRHA critical core and have been irradiated during five cycles, each one consisting of 90 days of operation at 100 MWth and 30 days ofmore » shutdown. The reactivity worth of the test fuel assembly was about 1.1 dollar. A wide range of burn-up level has been achieved, extending from 42 to 110 MWd/kg HM, the samples with lower MA-to-Pu ratios reaching the highest burn-up. This study has highlighted the importance of the initial MA content, expressed in terms of MA/Pu ratio, on the transmutation rate of MA elements. For (Pu + Am, U) MOX fuel samples, a net build-up of MA is observed when the initial content of MA is very low (here, 1.77 wt% MA/Pu) while a net decrease in MA is observed in the sample with an initial content of 5 wt%. This suggests the existence of some 'equilibrium' initial MA content value beyond which a net transmutation is achievable.« less

Performance of Transuranic-Loaded Fully Ceramic Micro-Encapsulated Fuel in LWRs Final Report, Including Void Reactivity Evaluation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael A. Pope; R. Sonat Sen; Brian Boer

2011-09-01

The current focus of the Deep Burn Project is on once-through burning of transuranics (TRU) in light-water reactors (LWRs). The fuel form is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the tri-isotropic (TRISO) fuel particle design from high-temperature reactor technology. In the Deep Burn LWR (DB-LWR) concept, these fuel particles are pressed into compacts using SiC matrix material and loaded into fuel pins for use in conventional LWRs. The TRU loading comes from the spent fuel of a conventional LWR after 5 years of cooling. Unit cell and assembly calculations have been performed using the DRAGON-4 code tomore » assess the physics attributes of TRU-only FCM fuel in an LWR lattice. Depletion calculations assuming an infinite lattice condition were performed with calculations of various reactivity coefficients performed at each step. Unit cells and assemblies containing typical UO2 and mixed oxide (MOX) fuel were analyzed in the same way to provide a baseline against which to compare the TRU-only FCM fuel. Then, assembly calculations were performed evaluating the performance of heterogeneous arrangements of TRU-only FCM fuel pins along with UO2 pins.« less

Genetics in methylotrophic bacteria: Appendix. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lidstrom, M.E.

This research has focused primarily on promoters in Methylobacterium extorquens AM1 and in methanotrophic bacteria. In Methylobacterium extorquens work continued on the moxF promoter. The author constructed chromosomal lacZ fusions of this promoter to avoid the regulation problems of plasmid-borne fragments and has shown that this is regulated normally in the chromosome. She has constructed lacZ fusions to some of the mox genes involved in the synthesis of the cofactor, PQQ, in order to carry out similar analysis of transcription of PQQ genes. The author has continued to isolate mox genes in methanotrophs for the purpose of studying their promotersmore » and transcriptional regulation.« less

76 FR 22735 - Shaw AREVA MOX Services, Mixed Oxide Fuel Fabrication Facility; License Amendment Request, Notice...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-22

... NUCLEAR REGULATORY COMMISSION [Docket No. 70-3098; NRC-2011-0081] Shaw AREVA MOX Services, Mixed... following methods: Federal Rulemaking Web site: Go to http://www.regulations.gov and search for documents... publicly available documents related to this notice using the following methods: NRC's Public Document Room...

Neutronics Benchmarks for the Utilization of Mixed-Oxide Fuel: Joint U.S./Russian Progress Report for Fiscal Year 1997

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akkurt, H

2001-01-11

In 1967, a series of critical experiments were conducted at the Westinghouse Reactor Evaluation Center (WREC) using mixed-oxide (MOX) PuO{sub 2}-UO{sub 2} and/or UO{sub 2} fuels in various lattices and configurations . These experiments were performed under the joint sponsorship of the Empire State Atomic Development Associates (ESADA) plutonium program and Westinghouse . The purpose of these experiments was to develop experimental data to validate analytical methods used in the design of a plutonium-bearing replacement fuel for water reactors. Three different fuels were used during the experimental program: two MOX fuels and a low-enriched UO{sub 2} fuel. The MOX fuelsmore » were distinguished by their {sup 240}Pu content: 8 wt% {sup 240}Pu and 24 wt% {sup 240}Pu. Both MOX fuels contained 2.0 wt % PuO{sub 2} in natural UO{sub 2} . The UO{sub 2} fuel with 2.72 wt % enrichment was used for comparison with the plutonium data and for use in multiregion experiments.« less

Self-Test Procedures for Gas Sensors Embedded in Microreactor Systems

PubMed Central

Helwig, Andreas; Hackner, Angelika; Zappa, Dario; Sberveglieri, Giorgio

2018-01-01

Metal oxide (MOX) gas sensors sensitively respond to a wide variety of combustible, explosive and poisonous gases. However, due to the lack of a built-in self-test capability, MOX gas sensors have not yet been able to penetrate safety-critical applications. In the present work we report on gas sensing experiments performed on MOX gas sensors embedded in ceramic micro-reaction chambers. With the help of an external micro-pump, such systems can be operated in a periodic manner alternating between flow and no-flow conditions, thus allowing repetitive measurements of the sensor resistances under clean air, R0, and under gas exposure, Rgas, to be obtained, even under field conditions. With these pairs of resistance values, eventual drifts in the sensor baseline resistance can be detected and drift-corrected values of the relative resistance response Resp=(R0−Rgas)/R0 can be determined. Residual poisoning-induced changes in the relative resistance response can be detected by reference to humidity measurements taken with room-temperature-operated capacitive humidity sensors which are insensitive to the poisoning processes operative on heated MOX gas sensors. PMID:29401673

Cross-correlation measurements with the EJ-299-33 plastic scintillator

NASA Astrophysics Data System (ADS)

Bourne, Mark M.; Whaley, Jeff; Dolan, Jennifer L.; Polack, John K.; Flaska, Marek; Clarke, Shaun D.; Tomanin, Alice; Peerani, Paolo; Pozzi, Sara A.

2015-06-01

New organic-plastic scintillation compositions have demonstrated pulse-shape discrimination (PSD) of neutrons and gamma rays. We present cross-correlation measurements of 252Cf and mixed uranium-plutonium oxide (MOX) with the EJ-299-33 plastic scintillator. For comparison, equivalent measurements were performed with an EJ-309 liquid scintillator. Offline, digital PSD was applied to each detector. These measurements show that EJ-299-33 sacrifices a factor of 5 in neutron-neutron efficiency relative to EJ-309, but could still utilize the difference in neutron-neutron efficiency and neutron single-to-double ratio to distinguish 252Cf from MOX. These measurements were modeled with MCNPX-PoliMi, and MPPost was used to convert the detailed collision history into simulated cross-correlation distributions. MCNPX-PoliMi predicted the measured 252Cf cross-correlation distribution for EJ-309 to within 10%. Greater photon uncertainty in the MOX sample led to larger discrepancy in the simulated MOX cross-correlation distribution. The modeled EJ-299-33 plastic also gives reasonable agreement with measured cross-correlation distributions, although the MCNPX-PoliMi model appears to under-predict the neutron detection efficiency.

Toxic effects of butyl elastomers on aerobic methane oxidation

NASA Astrophysics Data System (ADS)

Niemann, Helge; Steinle, Lea I.; Blees, Jan H.; Krause, Stefan; Bussmann, Ingeborg; Lehmann, Moritz F.; Treude, Tina

2013-04-01

Large quantities of the potent greenhouse gas methane are liberated into the water column of marine and lacustrine environments where it may be consumed by aerobic methane oxidising bacteria before reaching the atmosphere.The reliable quantification of aerobic methane oxidation (MOx) rates is consequently of paramount importance for estimating methane budgets and to understand the controls on water column methane cycling. A widely used set of methods for measuring MOx rates is based on the incubation of water samples during which the consumption of methane is monitored, for instance with radio-tracer assays. Typically, incubation vessels are sealed with butyl rubber stoppers because these elastomers are essentially impermeable for gases at the relevant time scales. We tested the effect of different stopper materials (unmodified- and halogenated butyl rubber) on MOx activity in environmental samples and in cultures of methane oxidising bacteria. MOx rates in samples sealed with unmodified butyl rubber were > 75% lower compared to parallel incubations with halogenated butyl rubber seals, suggesting inhibiting/toxic effects associated with the use of unmodified butyl elastomers. To further explore the cause of these effects, we analysed aqueous extracts of the different stoppers. Halogenated butyl rubber stoppers appeared to bleed off comparably little amounts of organics. In stark contrast, extracts of unmodified butyl rubber were contaminated with various organic compounds including potential bactericides such as benzyltoluenes, phenylalkanes and benzuothiazoles. We also found tetramethylthiourea, a scavenger of active oxygen species, which may inhibit the MOx pathway.

Comparative analyses of the mitochondrial genome of the sheep ked Melophagus ovinus (Diptera: Hippoboscidae) from different geographical origins in China.

PubMed

Tang, Jia-Min; Li, Fen; Cheng, Tian-Yin; Duan, De-Yong; Liu, Guo-Hua

2018-05-22

The sheep ked Melophagus ovinus is mainly found in Europe, Northwestern Africa, and Asia. Although M. ovinus is an important ectoparasite of sheep in many countries, the population genetics, molecular biology, and systematics of this ectoparasite remain poorly understood. Herein, we determined the mitochondrial (mt) genome of M. ovinus from Gansu Province, China (MOG) and compared with that of M. ovinus Xinjiang Uygur Autonomous Region, China (MOX). The mt genome sequence (15,044 bp) of M. ovinus MOG was significantly shorter (529 bp) than M. ovinus MOX. Nucleotide sequence difference in the whole mt genome except for non-coding region was 0.37% between M. ovinus MOG and MOX. For the 13 protein-coding genes, comparison revealed sequence divergences at both the nucleotide (0-1.1%) and amino acid (0-0.59%) levels between M. ovinus MOG and MOX, respectively. Interestingly, the cox1 gene of M. ovinus MOX is predicted to employ unusual mt start codons AAA, which has not been predicted previously for any parasite genome. Phylogenetic analyses showed that M. ovinus (Hippoboscoidea) is related to the superfamilies Oestroidea + Muscoidea. Our results have also indicated the paraphylies of the four families (Anthomyiidae, Calliphoridae, Muscidae, and Oestridae) and two superfamilies (Oestroidea and Muscoidea). This mt genome of M. ovinus provides useful molecular markers for studies into the population genetics, molecular biology, and systematics of this ectoparasite.

Characterization of un-irradiated MIMAS MOX fuel by Raman spectroscopy and EPMA

NASA Astrophysics Data System (ADS)

Talip, Zeynep; Peuget, Sylvain; Magnin, Magali; Tribet, Magaly; Valot, Christophe; Vauchy, Romain; Jégou, Christophe

2018-02-01

In this study, Raman spectroscopy technique was implemented to characterize un-irradiated MIMAS (MIcronized - MASter blend) MOX fuel samples with average 7 wt.% Pu content and different damage levels, 13 years after fabrication, one year after thermal recovery and soon after annealing, respectively. The impacts of local Pu content, deviation from stoichiometry and self-radiation damage on Raman spectrum of the studied MIMAS MOX samples were assessed. MIMAS MOX fuel has three different phases Pu-rich agglomerate, coating phase and uranium matrix. In order to distinguish these phases, Raman results were associated with Pu content measurements performed by Electron Microprobe Analysis. Raman results show that T2g frequency significantly shifts from 445 to 453 cm-1 for Pu contents increasing from 0.2 to 25 wt.%. These data are satisfactorily consistent with the calculations obtained with Gruneisen parameters. It was concluded that the position of the T2g band is mainly controlled by Pu content and self-radiation damage. Deviation from stoichiometry does not have a significant influence on T2g band position. Self-radiation damage leads to a shift of T2g band towards lower frequency (∼1-2 cm-1 for the UO2 matrix of damaged sample). However, this shift is difficult to quantify for the coating phase and Pu agglomerates given the dispersion of high Pu concentrations. In addition, 525 cm-1 band, which was attributed to sub-stoichiometric structural defects, is presented for the first time for the self-radiation damaged MOX sample. Thanks to the different oxidation resistance of each phase, it was shown that laser induced oxidation could be alternatively used to identify the phases. It is demonstrated that micro-Raman spectroscopy is an efficient technique for the characterization of heterogeneous MOX samples, due to its low spatial resolution.

Antibacterial effect evaluation of moxalactam against extended-spectrum β-lactamase-producing Escherichia coli and Klebsiella pneumoniae with in vitro pharmacokinetics/pharmacodynamics simulation

PubMed Central

Yu, Wei; Niu, Tianshui; Xiao, Tingting; Zhang, Jing; Xiao, Yonghong

2018-01-01

Objectives The aim of this study was to evaluate the bactericidal effects of moxalactam (MOX), cefotaxime (CTX), and cefoperazone/sulbactam (CFZ/SBT) against extended-spectrum β-lactamase (ESBL) producing Escherichia coli and Klebsiella pneumoniae, using an in vitro pharmacokinetics (PK)/pharmacodynamics model. Methods Two clinical ESBL-producing strains (blaCTX-M-15 positive E. coli 3376 and blaCTX-M-14 positive K. pneumoniae 2689) and E. coli American Type Culture Collection (ATCC)25922 were used in the study. The PK Auto Simulation System 400 was used to simulate the human PK procedures after intravenous administration of different doses of MOX, CTX, and CFZ/SBT. Bacterial growth recovery time (RT) and the area between the control growth curve and bactericidal curves (IE) were employed to assess the antibacterial efficacies of all the agents. Results The minimum inhibitory concentrations of MOX, CTX, and CFZ/SBT against E. coli ATCC25922, 3376, and 2689 strains were 0.5, 0.5, 0.25; 0.06, >256, 256; and 0.5/0.5, 16/16, 32/32 mg/L. All the agents demonstrated outstanding bactericidal effects against E. coli ATCC25922 (RT >24 h and IE >120 log10 CFU/mL·h−1) with simulating PK procedures, especially in the multiple dose administration models. Against ESBL producers, CTX and CFZ/SBT displayed only weak bactericidal effects, and subsequent regrowth was evident. MOX exhibited potent antibacterial activity against all the strains tested. The values of effective parameters of MOX were much higher than those of CTX and CFZ/SBT (the bacterial RTs with the 3 agents were >24, <4, and <13 h, and the IEs were >110, <10, and <60 log10 CFU/mL·h−1, respectively). Conclusion MOX demonstrated excellent bactericidal effect, which is worthy of further exploration to serve as an alternative therapeutic agent against ESBL-producing Enterobacteriaceae. PMID:29391816

78 FR 9431 - Shaw AREVA MOX Services, LLC (Mixed Oxide Fuel Fabrication Facility); Order Approving Indirect...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-08

... established pursuant to the policies duly authorized under the National Industrial Security Program. The proxy... Influence (FOCI) in order to maintain the Facility Security Clearance held by MOX Services. No physical... Facility Security Clearance, is in accordance with the provisions of the AEA of 1954, as amended. The...

[Influence factors on supply and demand changes in the field of acupuncture and moxibustion].

PubMed

Liu, Bin; Li, Ping

2011-11-01

Based on principles of health economy and the present situation, the possibility and regularity on changes in the supply and demand field of acupuncture and moxibustion through various viewpoints were analyzed, which included demand and supply elasticity of acup-mox services to market price and the relevant factors, categories and nature of acup-mox services, business idea of supplier on the strength of marginal cost and marginal benefit, expenditure level and inclination of demander, complementary and substitutive treatment of acup-mox therapy, and the relevant time and geographic factors to change in quantity demand and supply. Therefore, it could be applied as reference to redaction and reform of the relevant health economics policy by health administrative management.

Chemical and biological evaluation of moxifloxacin-benzimidazole mixed ligands complexes: Anti-cancer and anti-oxidant activities

NASA Astrophysics Data System (ADS)

Refaat, Heba M.; Noor El-Din, Doaa A.

2018-07-01

Novel complexes of the formula [M(MOX)(Ben)Cl(H2O)m].nH2O and [Ag(MOX)(Ben)] 3.5H2O; M = Co, Ni, and Zn, n = 1.5, 2 and 1, m = 0 or 2, MOX; Moxifloxacin and Ben; benzimidazole, were synthesized. Their effect on different cancer cells together with bacterial and fungal activity was determined. Formulation of the complexes was based on elemental analyses, different spectrophotometric methods (FT-IR, UV/Vis, NMR), and magnetic studies. FT-IR data indicated that the bonding of the Co(II), Ni(II) and Zn(II) ions with MOX to be achieved through the quinolone and carboxylate oxygen atoms. On the other hand Ag(I) bonded to the MOX through hydro-pyrrolopyridine nitrogen atom. TGA and DTA studies for the metal complexes showed them to possess considerable stability. Thermodynamic parameters ΔE*, ΔS* and ΔH* were evaluated and the appearance of fractional orders suggested that the reactions proceed via complicated mechanisms. The novel mixed ligands complexes were evaluated for their biological activity against the bacterial species (S. aureus) and (E. coli) and the fungal species Aspergillus flavus and Candida albicans. The complexes were found to possess better antibacterial and antifungal activities compared to the Moxifloxacin ligand. The compounds' effects were also screened for their anti-oxidant activity by DPPH method and were tested for their cytotoxicity activity against Breast cancer cell lines (MCF-7), Colon carcinoma cells (HCT) and Hepatocellular carcinoma cells (HepG2) by viability assay method.

Discrimination of irradiated MOX fuel from UOX fuel by multivariate statistical analysis of simulated activities of gamma-emitting isotopes

NASA Astrophysics Data System (ADS)

Åberg Lindell, M.; Andersson, P.; Grape, S.; Hellesen, C.; Håkansson, A.; Thulin, M.

2018-03-01

This paper investigates how concentrations of certain fission products and their related gamma-ray emissions can be used to discriminate between uranium oxide (UOX) and mixed oxide (MOX) type fuel. Discrimination of irradiated MOX fuel from irradiated UOX fuel is important in nuclear facilities and for transport of nuclear fuel, for purposes of both criticality safety and nuclear safeguards. Although facility operators keep records on the identity and properties of each fuel, tools for nuclear safeguards inspectors that enable independent verification of the fuel are critical in the recovery of continuity of knowledge, should it be lost. A discrimination methodology for classification of UOX and MOX fuel, based on passive gamma-ray spectroscopy data and multivariate analysis methods, is presented. Nuclear fuels and their gamma-ray emissions were simulated in the Monte Carlo code Serpent, and the resulting data was used as input to train seven different multivariate classification techniques. The trained classifiers were subsequently implemented and evaluated with respect to their capabilities to correctly predict the classes of unknown fuel items. The best results concerning successful discrimination of UOX and MOX-fuel were acquired when using non-linear classification techniques, such as the k nearest neighbors method and the Gaussian kernel support vector machine. For fuel with cooling times up to 20 years, when it is considered that gamma-rays from the isotope 134Cs can still be efficiently measured, success rates of 100% were obtained. A sensitivity analysis indicated that these methods were also robust.

Development of self-interrogation neutron resonance densitometry (sinrd) to measure the fissile content in nuclear fuel

NASA Astrophysics Data System (ADS)

LaFleur, Adrienne Marie

The development of non-destructive assay (NDA) capabilities to directly measure the fissile content in spent fuel is needed to improve the timely detection of the diversion of significant quantities of fissile material. Currently, the International Atomic Energy Agency (IAEA) does not have effective NDA methods to verify spent fuel and recover continuity of knowledge in the event of a containment and surveillance systems failure. This issue has become increasingly critical with the worldwide expansion of nuclear power, adoption of enhanced safeguards criteria for spent fuel verification, and recent efforts by the IAEA to incorporate an integrated safeguards regime. In order to address these issues, the use of Self-Interrogation Neutron Resonance Densitometry (SINRD) has been developed to improve existing nuclear safeguards and material accountability measurements. The following characteristics of SINRD were analyzed: (1) ability to measure the fissile content in Light Water Reactors (LWR) fuel assemblies and (2) sensitivity and penetrability of SINRD to the removal of fuel pins from an assembly. The Monte Carlo Neutral Particle eXtended (MCNPX) transport code was used to simulate SINRD for different geometries. Experimental measurements were also performed with SINRD and were compared to MCNPX simulations of the experiment to verify the accuracy of the MCNPX model of SINRD. Based on the results from these simulations and measurements, we have concluded that SINRD provides a number of improvements over current IAEA verification methods. These improvements include: (1) SINRD provides absolute measurements of burnup independent of the operator's declaration. (2) SINRD is sensitive to pin removal over the entire burnup range and can verify the diversion of 6% of fuel pins within 3o from LWR spent LEU and MOX fuel. (3) SINRD is insensitive to the boron concentration and initial fuel enrichment and can therefore be used at multiple spent fuel storage facilities. (4) The calibration of SINRD at one reactor facility carries over to reactor sites in different countries because it uses the ratio of fission chambers (FCs) that are not facility dependent. (5) SINRD can distinguish fresh and 1-cycle spent MOX fuel from 3- and 4-cycles spent LEU fuel without using reactor burnup codes.

77 FR 70193 - Shaw Areva MOX Services (Mixed Oxide Fuel Fabrication Facility); Notice of Atomic Safety and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-23

... MOX Services (Mixed Oxide Fuel Fabrication Facility); Notice of Atomic Safety and Licensing Board Reconstitution Pursuant to 10 CFR 2.313(c) and 2.321(b), the Atomic Safety and Licensing Board (Board) in the... Rockville, Maryland this 16th day of November 2012. E. Roy Hawkens, Chief Administrative Judge, Atomic...

Self-Test Procedures for Gas Sensors Embedded in Microreactor Systems.

PubMed

Helwig, Andreas; Hackner, Angelika; Müller, Gerhard; Zappa, Dario; Sberveglieri, Giorgio

2018-02-03

Metal oxide (MOX) gas sensors sensitively respond to a wide variety of combustible, explosive and poisonous gases. However, due to the lack of a built-in self-test capability, MOX gas sensors have not yet been able to penetrate safety-critical applications. In the present work we report on gas sensing experiments performed on MOX gas sensors embedded in ceramic micro-reaction chambers. With the help of an external micro-pump, such systems can be operated in a periodic manner alternating between flow and no-flow conditions, thus allowing repetitive measurements of the sensor resistances under clean air, R 0 , and under gas exposure, R g a s , to be obtained, even under field conditions. With these pairs of resistance values, eventual drifts in the sensor baseline resistance can be detected and drift-corrected values of the relative resistance response R e s p = ( R 0 - R g a s ) / R 0 can be determined. Residual poisoning-induced changes in the relative resistance response can be detected by reference to humidity measurements taken with room-temperature-operated capacitive humidity sensors which are insensitive to the poisoning processes operative on heated MOX gas sensors.

Performance of the MTR core with MOX fuel using the MCNP4C2 code.

PubMed

Shaaban, Ismail; Albarhoum, Mohamad

2016-08-01

The MCNP4C2 code was used to simulate the MTR-22 MW research reactor and perform the neutronic analysis for a new fuel namely: a MOX (U3O8&PuO2) fuel dispersed in an Al matrix for One Neutronic Trap (ONT) and Three Neutronic Traps (TNTs) in its core. Its new characteristics were compared to its original characteristics based on the U3O8-Al fuel. Experimental data for the neutronic parameters including criticality relative to the MTR-22 MW reactor for the original U3O8-Al fuel at nominal power were used to validate the calculated values and were found acceptable. The achieved results seem to confirm that the use of MOX fuel in the MTR-22 MW will not degrade the safe operational conditions of the reactor. In addition, the use of MOX fuel in the MTR-22 MW core leads to reduce the uranium fuel enrichment with (235)U and the amount of loaded (235)U in the core by about 34.84% and 15.21% for the ONT and TNTs cases, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Thermal-mechanical performance modeling of thorium-plutonium oxide fuel and comparison with on-line irradiation data

NASA Astrophysics Data System (ADS)

Insulander Björk, Klara; Kekkonen, Laura

2015-12-01

Thorium-plutonium Mixed OXide (Th-MOX) fuel is considered for use in light water reactors fuel due to some inherent benefits over conventional fuel types in terms of neutronic properties. The good material properties of ThO2 also suggest benefits in terms of thermal-mechanical fuel performance, but the use of Th-MOX fuel for commercial power production demands that its thermal-mechanical behavior can be accurately predicted using a well validated fuel performance code. Given the scant operational experience with Th-MOX fuel, no such code is available today. This article describes the first phase of the development of such a code, based on the well-established code FRAPCON 3.4, and in particular the correlations reviewed and chosen for the fuel material properties. The results of fuel temperature calculations with the code in its current state of development are shown and compared with data from a Th-MOX test irradiation campaign which is underway in the Halden research reactor. The results are good for fresh fuel, whereas experimental complications make it difficult to judge the adequacy of the code for simulations of irradiated fuel.

U.S. Commercial Spent Nuclear Fuel Assembly Characteristics - 1968-2013

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jianwei; Peterson, Joshua L.; Gauld, Ian C.

2016-09-01

Activities related to management of spent nuclear fuel (SNF) are increasing in the US and many other countries. Over 240,000 SNF assemblies have been discharged from US commercial reactors since the late 1960s. The enrichment and burnup of SNF have changed significantly over the past 40 years, and fuel assembly designs have also evolved. Understanding the general characteristics of SNF helps regulators and other stakeholders form overall strategies towards the final disposal of US SNF. This report documents a survey of all US commercial SNF assemblies in the GC-859 database and provides reference SNF source terms (e.g., nuclide inventories, decaymore » heat, and neutron/photon emission) at various cooling times up to 200 years after fuel discharge. This study reviews the distribution and evolution of fuel parameters of all SNF assemblies discharged over the past 40 years. Assemblies were categorized into three groups based on discharge year, and the median burnups and enrichments of each group were used to establish representative cases. An extended burnup case was created for boiling water reactor (BWR) fuels, and another was created for the pressurized water reactor (PWR) fuels. Two additional cases were developed to represent the eight mixed oxide (MOX) fuel assemblies in the database. Burnup calculations were performed for each representative case. Realistic parameters for fuel design and operations were used to model the SNF and to provide reference fuel characteristics representative of the current inventory. Burnup calculations were performed using the ORIGEN code, which is part of the SCALE nuclear modeling and simulation code system. Results include total activity, decay heat, photon emission, neutron flux, gamma heat, and plutonium content, as well as concentrations for 115 significant nuclides. These quantities are important in the design, regulation, and operations of SNF storage, transportation, and disposal systems.« less

Shortened strongyle-type egg reappearance periods in naturally infected horses treated with moxidectin and failure of a larvicidal dose of fenbendazole to reduce fecal egg counts.

PubMed

Rossano, M G; Smith, A R; Lyons, E T

2010-10-29

Deworming horses with anthelmintics that have activity against encysted small strongyle larvae (L(3) and L(4)) is a common practice in parasite control programs. The two drugs currently available for this use are moxidectin (MOX) administered in a single dose of 0.4 mg/kg and fenbendazole (FBZ) given at the larvicidal dose (10mg/kg for 5 days). Here, we report the efficacy of MOX and the larvicidal dose of FBZ for reducing counts of strongyle-type eggs per gram of feces in naturally infected horses. Fecal egg counts (FECs) of 15 yearlings were observed following deworming. On day 0, 6 of the 15 yearlings were administered a larvicidal dose of FBZ; 14 days later, all 15 yearlings received MOX at a single dose of 0.4 mg/kg. Feces were collected on day 0 for pre-treatment egg counts. Feces were collected at weekly intervals thereafter during FEC observation periods. FECs of FBZ-treated horses were compared at day 0 and 14 days post-treatment. The difference in means pre- and post-treatment with FBZ was not statistically significant (p=0.65). On days 0 and 42 of the MOX treatment observation period the mean FEC of the yearlings that had not received the FBZ treatment did not differ significantly from that of the FBZ-treated yearlings. MOX was effective in reducing fecal egg counts to 0 EPG for 21 days. At day 35 all but 2 of the yearlings had some eggs present (range=4-361 EPG) and at day 42 all but 1 yearling had eggs present (range=3-432 EPG). At day 42 the group mean FEC reduction had fallen from 100% to 67%. Results of this study do not support the use of the larvicidal dose of FBZ for small strongyle control. Larger field studies will be needed to investigate whether egg reappearance periods are shortening for MOX-treated horses. Copyright © 2010 Elsevier B.V. All rights reserved.

Multivariate estimation of the limit of detection by orthogonal partial least squares in temperature-modulated MOX sensors.

PubMed

Burgués, Javier; Marco, Santiago

2018-08-17

Metal oxide semiconductor (MOX) sensors are usually temperature-modulated and calibrated with multivariate models such as partial least squares (PLS) to increase the inherent low selectivity of this technology. The multivariate sensor response patterns exhibit heteroscedastic and correlated noise, which suggests that maximum likelihood methods should outperform PLS. One contribution of this paper is the comparison between PLS and maximum likelihood principal components regression (MLPCR) in MOX sensors. PLS is often criticized by the lack of interpretability when the model complexity increases beyond the chemical rank of the problem. This happens in MOX sensors due to cross-sensitivities to interferences, such as temperature or humidity and non-linearity. Additionally, the estimation of fundamental figures of merit, such as the limit of detection (LOD), is still not standardized in multivariate models. Orthogonalization methods, such as orthogonal projection to latent structures (O-PLS), have been successfully applied in other fields to reduce the complexity of PLS models. In this work, we propose a LOD estimation method based on applying the well-accepted univariate LOD formulas to the scores of the first component of an orthogonal PLS model. The resulting LOD is compared to the multivariate LOD range derived from error-propagation. The methodology is applied to data extracted from temperature-modulated MOX sensors (FIS SB-500-12 and Figaro TGS 3870-A04), aiming at the detection of low concentrations of carbon monoxide in the presence of uncontrolled humidity (chemical noise). We found that PLS models were simpler and more accurate than MLPCR models. Average LOD values of 0.79 ppm (FIS) and 1.06 ppm (Figaro) were found using the approach described in this paper. These values were contained within the LOD ranges obtained with the error-propagation approach. The mean LOD increased to 1.13 ppm (FIS) and 1.59 ppm (Figaro) when considering validation samples collected two weeks after calibration, which represents a 43% and 46% degradation, respectively. The orthogonal score-plot was a very convenient tool to visualize MOX sensor data and to validate the LOD estimates. Copyright © 2018 Elsevier B.V. All rights reserved.

Yeast alter micro-oxygenation of wine: oxygen consumption and aldehyde production.

PubMed

Han, Guomin; Webb, Michael R; Richter, Chandra; Parsons, Jessica; Waterhouse, Andrew L

2017-08-01

Micro-oxygenation (MOx) is a common winemaking treatment used to improve red wine color development and diminish vegetal aroma, amongst other effects. It is commonly applied to wine immediately after yeast fermentation (phase 1) or later, during aging (phase 2). Although most winemakers avoid MOx during malolactic (ML) fermentation, it is often not possible to avoid because ML bacteria are often present during phase 1 MOx treatment. We investigated the effect of common yeast and bacteria on the outcome of micro-oxygenation. Compared to sterile filtered wine, Saccharomyces cerevisiae inoculation significantly increased oxygen consumption, keeping dissolved oxygen in wine below 30 µg L -1 during micro-oxygenation, whereas Oenococcus oeni inoculation was not associated with a significant impact on the concentration of dissolved oxygen. The unfiltered baseline wine also had both present, although with much higher populations of bacteria and consumed oxygen. The yeast-treated wine yielded much higher levels of acetaldehyde, rising from 4.3 to 29 mg L -1 during micro-oxygenation, whereas no significant difference was found between the bacteria-treated wine and the filtered control. The unfiltered wine exhibited rapid oxygen consumption but no additional acetaldehyde, as well as reduced pyruvate. Analysis of the acetaldehyde-glycerol acetal levels showed a good correlation with acetaldehyde concentrations. The production of acetaldehyde is a key outcome of MOx and it is dramatically increased in the presence of yeast, although it is possibly counteracted by the metabolism of O. oeni bacteria. Additional controlled experiments are necessary to clarify the interaction of yeast and bacteria during MOx treatments. Analysis of the glycerol acetals may be useful as a proxy for acetaldehyde levels. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Imminent: Irradiation Testing of (Th,Pu)O{sub 2} Fuel - 13560

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelly, Julian F.; Franceschini, Fausto

2013-07-01

Commercial-prototype thorium-plutonium oxide (Th-MOX) fuel pellets have been loaded into the material test reactor in Halden, Norway. The fuel is being operated at full power - with instrumentation - in simulated LWR / PHWR conditions and its behaviour is measured 'on-line' as it operates to high burn-up. This is a vital test on the commercialization pathway for this robust new thoria-based fuel. The performance data that is collected will support a fuel modeling effort to support its safety qualification. Several different samples of Th-MOX fuel will be tested, thereby collecting information on ceramic behaviours and their microstructure dependency. The fuel-cyclemore » reasoning underpinning the test campaign is that commercial Th- MOX fuels are an achievable intermediate / near-term SNF management strategy that integrates well with a fast reactor future. (authors)« less

Statistical assessment of dumpsite soil suitability to enhance methane bio-oxidation under interactive influence of substrates and temperature.

PubMed

Bajar, Somvir; Singh, Anita; Kaushik, C P; Kaushik, Anubha

2017-05-01

Biocovers are considered as the most effective and efficient way to treat methane (CH 4 ) emission from dumpsites and landfills. Active methanotrophs in the biocovers play a crucial role in reduction of emissions through microbiological methane oxidation. Several factors affecting methane bio-oxidation (MOX) have been well documented, however, their interactive effect on the oxidation process needs to be explored. Therefore, the present study was undertaken to investigate the suitability of a dumpsite soil to be employed as biocover, under the influence of substrate concentrations (CH 4 and O 2 ) and temperature at variable incubation periods. Statistical design matrix of Response Surface Methodology (RSM) revealed that MOX rate up to 69.58μgCH 4 g -1 dw h -1 could be achieved under optimum conditions. MOX was found to be more dependent on CH 4 concentration at higher level (30-40%, v/v), in comparison to O 2 concentration. However, unlike other studies MOX was found in direct proportionality relationship with temperature within a range of 25-35°C. The results obtained with the dumpsite soil biocover open up a new possibility to provide improved, sustained and environmental friendly systems to control even high CH 4 emissions from the waste sector. Copyright © 2017 Elsevier Ltd. All rights reserved.

Phenotypic characterization of ten methanol oxidation (Mox) mutant classes in methylobacterium AM1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nunn, D.N.; Lidstrom, M.E.

Twenty-five methanol oxidation mutants of the facultative methylotroph Methylobacterium strain AM1 have been characterized by complementation analysis and assigned to ten complementation groups, Mox A1,A2,A3 and B-H. We have characterized each of the mutants belonging to the ten Mox complementation groups by PMS-DCPIP dye linked methanol dehydrogenase activity, by methanol-dependent whole cell oxygen consumption, by the presence or absence of methanol dehydrogenase protein by SDS-polyacrylamide gels and Western blotting, by the absorption spectra of purified mutant methanol dehydrogenase proteins and by the presence or absence of the soluble cytochrome c proteins of Methylobacterium AM1. We propose functions for each ofmore » the genes deficient in the mutants of the ten Mox complementation groups. These functions include two linked genes that encode the methanol dehydrogenase structural protein and the soluble cytochrome c/sub L/, a gene encoding a secretion function essential for the synthesis and export of methanol dehydrogenase and cytochrome c/sub L/, three gene functions responsible for the proper association of the PQQ prosthetic group with the methanol dehydrogenase apoprotein and four positive regulatory gene functions controlling the expression of the ability to oxidize methanol. 24 refs., 5 figs., 2 tabs.« less

Electrochemical reduction of (U-40Pu-5Np)O 2 in molten LiCl electrolyte

NASA Astrophysics Data System (ADS)

Iizuka, Masatoshi; Sakamura, Yoshiharu; Inoue, Tadashi

2006-12-01

The electrochemical reduction of neptunium-containing MOX ((U-40Pu-5Np)O 2) was performed in molten lithium chloride melt at 923 K to investigate fundamental behavior of the transuranium elements and applicability of the method to reduction process for these materials. The Np-MOX was electrochemically reduced at the potential lower than -0.6 V vs. Bi-35 mol% Li reference electrode. The reduced metal grains in the surface region of the sample cohered with each other and made the layer of relatively high density, although it did not prevent the reduction of the sample toward the center. Complete reduction of the Np-MOX was shown by the weight change measurement through the electrochemical reduction and also by SEM-EDX observation. The chemical composition of the reduction products was homogeneous and agreed to that of the initial Np-MOX, which indicates that the reduction was completed and not selective among the actinides. The concentrations of the actinide elements, especially plutonium and americium in the electrolyte, increased with the progress of the tests, although their absolute values were very small. It is quite likely that plutonium and americium dissolve into the melt in the same manner as the lanthanide elements in the lithium reduction process.

A Noise Spectroscopy-Based Selective Gas Sensing with MOX Gas Sensors

NASA Astrophysics Data System (ADS)

Gomri, S.; Seguin, J.; Contaret, T.; Fiorido, T.; Aguir, K.

We propose a new method for obtaining a fluctuation-enhanced sensing (FES) signature of a gas using a single metal oxide (MOX) gas micro sensor. Starting from our model of adsorption-desorption (A-D) noise previously developed, we show theoretically that the product of frequency by the power spectrum density (PSD) of the gas sensing layer resistance fluctuations often has a maximum which is characteristic of the gas. This property was experimentally confirmed in the case of the detection of NO2 and O3 using a WO3 sensing layer. This method could be useful for classifying gases. Furthermore, our noise measurements confirm our previous model showing that PSD of the A-Dnoise in MOX gas sensor is a combination of Lorentzians having a low frequency magnitude and a cut-off frequency which depends on the nature of the detected gas.

New developments and prospects on COSI, the simulation software for fuel cycle analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eschbach, R.; Meyer, M.; Coquelet-Pascal, C.

2013-07-01

COSI, software developed by the Nuclear Energy Direction of the CEA, is a code simulating a pool of nuclear power plants with its associated fuel cycle facilities. This code has been designed to study various short, medium and long term options for the introduction of various types of nuclear reactors and for the use of associated nuclear materials. In the frame of the French Act for waste management, scenario studies are carried out with COSI, to compare different options of evolution of the French reactor fleet and options of partitioning and transmutation of plutonium and minor actinides. Those studies aimmore » in particular at evaluating the sustainability of Sodium cooled Fast Reactors (SFR) deployment and the possibility to transmute minor actinides. The COSI6 version is a completely renewed software released in 2006. COSI6 is now coupled with the last version of CESAR (CESAR5.3 based on JEFF3.1.1 nuclear data) allowing the calculations on irradiated fuel with 200 fission products and 100 heavy nuclides. A new release is planned in 2013, including in particular the coupling with a recommended database of reactors. An exercise of validation of COSI6, carried out on the French PWR historic nuclear fleet, has been performed. During this exercise quantities like cumulative natural uranium consumption, or cumulative depleted uranium, or UOX/MOX spent fuel storage, or stocks of reprocessed uranium, or plutonium content in fresh MOX fuel, or the annual production of high level waste, have been computed by COSI6 and compared to industrial data. The results have allowed us to validate the essential phases of the fuel cycle computation, and reinforces the credibility of the results provided by the code.« less

A comparison of two integrated approaches of controlling nematode parasites in small ruminants.

PubMed

Miller, J E; Burke, J M; Terrill, T H; Kearney, M T

2011-06-10

Control of gastrointestinal nematodes (GIN) in small ruminants in regions of the world where anthelmintic resistance is prevalent must rely on more than just chemical deworming strategies. The objective of this experiment was to compare two integrated treatment protocols for control of GIN (primarily Haemonchus contortus in this region) using anthelmintics, copper oxide wire particles (COWP) and FAMACHA(©), compared to traditional anthelmintic use only. Three separate trials were conducted on mature ewes, weaned goats, and weaned lambs in which three deworming management strategies were applied: 1) all animals were dewormed with levamisole at four week intervals (LEV), 2) individual animals were dewormed with moxidectin when scored≥4 (ewes) or ≥3 (kids and lambs) using FAMACHA(©) (FAM/MOX), 3) all animals were dewormed with moxidectin initially and again with COWP (2g) when group mean FEC exceeded 500 (ewes), 3000 (kids), or 1000 (lambs) eggs/g (MOX/COWP). In this final group, during periods between group treatments, individual animals were dewormed with albendazole and levamisole according to FAMACHA(©) score. Fecal egg counts (FEC) and blood packed cell volume (PCV) were determined every 7 days and body weight every 28 days for 30, 20, or 16 weeks in ewes, goats, and lambs, respectively. Efficacy of levamisole was 83.4-86.4%, efficacy of moxidectin was 93.5-100%, and efficacy of COWP was 10.8-98.1% among the three trials. The mean number of deworming treatments per animal that occurred for the LEV, FAM/MOX, and MOX/COWP groups, respectively, was 7.9, 0.6, and 2.5±0.4 (P<0.001) for ewes, 5.2, 1.6, and 3.4±0.3 (P<0.001) for goats, and 4.0, 1.7, and 3.6±0.2 (P<0.001) for lambs. Production (body weight of lambs weaned from ewes or final body weight of kids and lambs) was similar among management strategy groups for ewes and kids, but FAM/MOX lambs were lighter by the end of the trial (P<0.003). While more time and labor was required to use the FAMACHA(©) system, a more conservative use of anthelmintics occurred in the FAM/MOX group. Copyright © 2011 Elsevier B.V. All rights reserved.

More than just one Methane Paradox? - Methane Production in Oxic Waters and Aerobic Methane Oxidation under Oxygen-Depleted Conditions

NASA Astrophysics Data System (ADS)

Lehmann, M. F.; Niemann, H.; Bartosiewicz, M.; Blees, J.; Steinle, L.; Su, G.; Zopfi, J.

2016-12-01

The standing paradigm is that methane (CH4) production through methanogenesis occurs exclusively under anoxic conditions and that at least in freshwater environments most of the biogenic CH4 is oxidized by aerobic methanotrophic bacteria (MOB) under oxic conditions. However, subsurface CH4 accumulation in oxic waters, a phenomenon referred to as the "CH4 paradox", has been observed both in the ocean and in lakes, and suggests in-situ CH4 production or a remarkable tolerance of at least some methanogens to O2. Analogously, MOB seem to thrive also under micro-oxic conditions, i.e., they may be responsible for significant CH4 turnover at extremely low O2 concentrations. O2 availability particularly within the sub-micromolar range is likely one of the key factors controlling the balance between CH4 production and consumption in redox-transition zones of aquatic environments, yet threshold O2 concentrations are poorly constrained. Here we provide multiple lines of evidence for apparent "methanogenesis" in well-oxygenated waters and discuss the potential mechanisms that lead to CH4 accumulation in the oxic epilimnia of two south-alpine lakes. On the other end, we present data from a deep meromictic lake, which indicate aerobic CH4 oxidation (MOx) at O2 concentrations below the detection limit of common O2 sensors. A strong MOx potential throughout the anoxic hyplimnion of the studied lake implies that the MOB community is able to survive prolonged periods of O2 starvation and is capable to rapidly resume microaerobic MOx upon introduction of low levels of O2. This conclusion is qualitatively consistent with field data from a coastal shelf environment in the Baltic Sea, where we observed maximum MOx rates during the summer stratification period when O2 concentrations were lowest, implying that in both environments MOx bacteria are adapted to trace levels of O2. Indeed, laboratory experiments at different manipulated O2 concentration levels suggest a nanomolar O2 optimum for MOx in both environments. The very low O2 requirements may reflect the adaption of water column MOB at the organismic level to O2-limited conditions, with several ecological advantages: it allows them to escape grazing pressure and to avoid the detrimental effects of oxidative stress and/or CH4 starvation in more oxygenated waters.

Reactivity-worth estimates of the OSMOSE samples in the MINERVE reactor R1-MOX, R2-UO2 and MORGANE/R configurations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Z.; Klann, R. T.; Nuclear Engineering Division

2007-08-03

An initial series of calculations of the reactivity-worth of the OSMOSE samples in the MINERVE reactor with the R2-UO2 and MORGANE/R core configuration were completed. The calculation model was generated using the lattice physics code DRAGON. In addition, an initial comparison of calculated values to experimental measurements was performed based on preliminary results for the R1-MOX configuration.

Methane turnover and methanotrophic communities in arctic aquatic ecosystems of the Lena Delta, Northeast Siberia.

PubMed

Osudar, Roman; Liebner, Susanne; Alawi, Mashal; Yang, Sizhong; Bussmann, Ingeborg; Wagner, Dirk

2016-08-01

Large amounts of organic carbon are stored in Arctic permafrost environments, and microbial activity can potentially mineralize this carbon into methane, a potent greenhouse gas. In this study, we assessed the methane budget, the bacterial methane oxidation (MOX) and the underlying environmental controls of arctic lake systems, which represent substantial sources of methane. Five lake systems located on Samoylov Island (Lena Delta, Siberia) and the connected river sites were analyzed using radiotracers to estimate the MOX rates, and molecular biology methods to characterize the abundance and the community composition of methane-oxidizing bacteria (MOB). In contrast to the river, the lake systems had high variation in the methane concentrations, the abundance and composition of the MOB communities, and consequently, the MOX rates. The highest methane concentrations and the highest MOX rates were detected in the lake outlets and in a lake complex in a flood plain area. Though, in all aquatic systems, we detected both, Type I and II MOB, in lake systems, we observed a higher diversity including MOB, typical of the soil environments. The inoculation of soil MOB into the aquatic systems, resulting from permafrost thawing, might be an additional factor controlling the MOB community composition and potentially methanotrophic capacity. © FEMS 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Oxidative mitigation of aquatic methane emissions in large Amazonian rivers.

PubMed

Sawakuchi, Henrique O; Bastviken, David; Sawakuchi, André O; Ward, Nicholas D; Borges, Clovis D; Tsai, Siu M; Richey, Jeffrey E; Ballester, Maria Victoria R; Krusche, Alex V

2016-03-01

The flux of methane (CH4 ) from inland waters to the atmosphere has a profound impact on global atmospheric greenhouse gas (GHG) levels, and yet, strikingly little is known about the dynamics controlling sources and sinks of CH4 in the aquatic setting. Here, we examine the cycling and flux of CH4 in six large rivers in the Amazon basin, including the Amazon River. Based on stable isotopic mass balances of CH4 , inputs and outputs to the water column were estimated. We determined that ecosystem methane oxidation (MOX) reduced the diffusive flux of CH4 by approximately 28-96% and varied depending on hydrologic regime and general geochemical characteristics of tributaries of the Amazon River. For example, the relative amount of MOX was maximal during high water in black and white water rivers and minimal in clear water rivers during low water. The abundance of genetic markers for methane-oxidizing bacteria (pmoA) was positively correlated with enhanced signals of oxidation, providing independent support for the detected MOX patterns. The results indicate that MOX in large Amazonian rivers can consume from 0.45 to 2.07 Tg CH4 yr(-1) , representing up to 7% of the estimated global soil sink. Nevertheless, climate change and changes in hydrology, for example, due to construction of dams, can alter this balance, influencing CH4 emissions to atmosphere. © 2015 John Wiley & Sons Ltd.

Neutronics Benchmarks for the Utilization of Mixed-Oxide Fuel: Joint U.S./ Russian Progress Report for Fiscal Year 1997, Volume 4, Part 8 - Neutron Poison Plates in Assemblies Containing Homogeneous Mixtures of Polystyrene-Moderated Plutonium and Uranium Oxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yavuz, M.

1999-05-01

In the 1970s at the Battelle Pacific Northwest Laboratory (PNL), a series of critical experiments using a remotely operated Split-Table Machine was performed with homogeneous mixtures of (Pu-U)O{sub 2}-polystyrene fuels in the form of square compacts having different heights. The experiments determined the critical geometric configurations of MOX fuel assemblies with and without neutron poison plates. With respect to PuO{sub 2} content and moderation [H/(Pu+U)atomic] ratio (MR), two different homogeneous (Pu-U) O{sub 2}-polystyrene mixtures were considered: Mixture (1) 14.62 wt% PuO{sub 2} with 30.6 MR, and Mixture (2) 30.3 wt% PuO{sub 2} with 2.8 MR. In all mixtures, the uraniummore » was depleted to about O.151 wt% U{sup 235}. Assemblies contained copper, copper-cadmium or aluminum neutron poison plates having thicknesses up to {approximately}2.5 cm. This evaluation contains 22 experiments for Mixture 1, and 10 for Mixture 2 compacts. For Mixture 1, there are 10 configurations with copper plates, 6 with aluminum, and 5 with copper-cadmium. One experiment contained no poison plate. For Mixture 2 compacts, there are 3 configurations with copper, 3 with aluminum, and 3 with copper-cadmium poison plates. One experiment contained no poison plate.« less

Impact of poor compliance with levofloxacin and moxifloxacin on respiratory tract infection antimicrobial efficacy: a pharmacokinetic/pharmacodynamic simulation study.

PubMed

Carral, N; Lukas, J C; Oteo, I; Suarez, E

2015-01-01

The purpose of this report was to assess the impact of poor compliance on the efficacy of levofloxacin (LFX) and moxifloxacin (MOX), two fluoroquinolones with different pharmacokinetic (PK) and pharmacodynamic (PD) properties, in respiratory infections. The fAUC0-24h and fAUC0-24h/MIC90 ratio, a PK/PD index predictive of bacterial eradication, were extracted from previously described population PK models for LFX and MOX. The MIC90 was according to EUCAST. Monte Carlo simulations were used with LFX 500 mg every 24h (q24 h) or every 12h (q12h), LFX 750 mg q24 h and MOX 400mg q24 h in non-compliance scenarios to derive the proportion of patients achieving target ratios of fAUC0-24h/MIC90>33.8 for Streptococcus pneumoniae and >100 for Haemophilus influenzae and Moraxella catarrhalis (PTA>90%). In non-adherent dosing scenarios, LFX 500 mg q24 h was not able to reach the PK/PD index guaranteeing clinical efficacy. With LFX 500 mg q12 h or 750 mg q24 h, this probability was maintained although patients can take the dose with delays of up to 12h and 11h, respectively, for the three bacterial types. With MOX 400mg q24 h, the probability of achieving this PK/PD index is maintained with delay in dosing up to 16h. In conclusion, LFX 500 mg q24 h is the least robust treatment against S. pneumoniae, H. influenzae and M. catarrhalis in a non-adherence situation. A good choice is LFX 500 mg q12h, but in order to favour patient adherence, LFX 750 mg q24 h or MOX 400mg q24h appears as more appropriate. Copyright © 2014 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bi, G.; Liu, C.; Si, S.

This paper was focused on core design, neutronics evaluation and fuel cycle analysis for Thorium-Uranium Breeding Recycle in current PWRs, without any major change to the fuel lattice and the core internals, but substituting the UOX pellet with Thorium-based pellet. The fuel cycle analysis indicates that Thorium-Uranium Breeding Recycle is technically feasible in current PWRs. A 4-loop, 193-assembly PWR core utilizing 17 x 17 fuel assemblies (FAs) was taken as the model core. Two mixed cores were investigated respectively loaded with mixed reactor grade Plutonium-Thorium (PuThOX) FAs and mixed reactor grade {sup 233}U-Thorium (U{sub 3}ThOX) FAs on the basis ofmore » reference full Uranium oxide (UOX) equilibrium-cycle core. The UOX/PuThOX mixed core consists of 121 UOX FAs and 72 PuThOX FAs. The reactor grade {sup 233}U extracted from burnt PuThOX fuel was used to fabrication of U{sub 3}ThOX for starting Thorium-. Uranium breeding recycle. In UOX/U{sub 3}ThOX mixed core, the well designed U{sub 3}ThOX FAs with 1.94 w/o fissile uranium (mainly {sup 233}U) were located on the periphery of core as a blanket region. U{sub 3}ThOX FAs remained in-core for 6 cycles with the discharged burnup achieving 28 GWD/tHM. Compared with initially loading, the fissile material inventory in U{sub 3}ThOX fuel has increased by 7% via 1-year cooling after discharge. 157 UOX fuel assemblies were located in the inner of UOX/U{sub 3}ThOX mixed core refueling with 64 FAs at each cycle. The designed UOX/PuThOX and UOX/U{sub 3}ThOX mixed core satisfied related nuclear design criteria. The full core performance analyses have shown that mixed core with PuThOX loading has similar impacts as MOX on several neutronic characteristic parameters, such as reduced differential boron worth, higher critical boron concentration, more negative moderator temperature coefficient, reduced control rod worth, reduced shutdown margin, etc.; while mixed core with U{sub 3}ThOX loading on the periphery of core has no visible impacts on neutronic characteristics compared with reference full UOX core. The fuel cycle analysis has shown that {sup 233}U mono-recycling with U{sub 3}ThOX fuel could save 13% of natural uranium resource compared with UOX once through fuel cycle, slightly more than that of Plutonium single-recycling with MOX fuel. If {sup 233}U multi-recycling with U{sub 3}ThOX fuel is implemented, more natural uranium resource would be saved. (authors)« less

Development of Xe and Kr empirical potentials for CeO 2, ThO 2, UO 2 and PuO 2, combining DFT with high temperature MD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cooper, M. W. D.; Kuganathan, N.; Burr, P. A.

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2, ThO 2, UO 2 and PuO 2. These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matchingmore » to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2, ThO 2, UO 2 and PuO 2, providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.« less

Development of Xe and Kr empirical potentials for CeO 2, ThO 2, UO 2 and PuO 2, combining DFT with high temperature MD

DOE PAGES

Cooper, M. W. D.; Kuganathan, N.; Burr, P. A.; ...

2016-08-23

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2, ThO 2, UO 2 and PuO 2. These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matchingmore » to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2, ThO 2, UO 2 and PuO 2, providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.« less

Data-driven Modeling of Metal-oxide Sensors with Dynamic Bayesian Networks

NASA Astrophysics Data System (ADS)

Gosangi, Rakesh; Gutierrez-Osuna, Ricardo

2011-09-01

We present a data-driven probabilistic framework to model the transient response of MOX sensors modulated with a sequence of voltage steps. Analytical models of MOX sensors are usually built based on the physico-chemical properties of the sensing materials. Although building these models provides an insight into the sensor behavior, they also require a thorough understanding of the underlying operating principles. Here we propose a data-driven approach to characterize the dynamical relationship between sensor inputs and outputs. Namely, we use dynamic Bayesian networks (DBNs), probabilistic models that represent temporal relations between a set of random variables. We identify a set of control variables that influence the sensor responses, create a graphical representation that captures the causal relations between these variables, and finally train the model with experimental data. We validated the approach on experimental data in terms of predictive accuracy and classification performance. Our results show that DBNs can accurately predict the dynamic response of MOX sensors, as well as capture the discriminatory information present in the sensor transients.

Determining Reactor Fuel Type from Continuous Antineutrino Monitoring

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Huber, Patrick

2017-09-01

We investigate the ability of an antineutrino detector to determine the fuel type of a reactor. A hypothetical 5-ton antineutrino detector is placed 25 m from the core and measures the spectral shape and rate of antineutrinos emitted by fission fragments in the core for a number of 90-d periods. Our results indicate that four major fuel types can be differentiated from the variation of fission fractions over the irradiation time with a true positive probability of detection at approximately 95%. In addition, we demonstrate that antineutrinos can identify the burnup at which weapons-grade mixed-oxide (MOX) fuel would be reduced to reactor-grade MOX, on average, providing assurance that plutonium-disposition goals are met. We also investigate removal scenarios where plutonium is purposefully diverted from a mixture of MOX and low-enriched uranium fuel. Finally, we discuss how our analysis is impacted by a spectral distortion around 6 MeV observed in the antineutrino spectrum measured from commercial power reactors.

Ceria-thoria pellet manufacturing in preparation for plutonia-thoria LWR fuel production

NASA Astrophysics Data System (ADS)

Drera, Saleem S.; Björk, Klara Insulander; Sobieska, Matylda

2016-10-01

Thorium dioxide (thoria) has potential to assist in niche roles as fuel for light water reactors (LWRs). One such application for thoria is its use as the fertile component to burn plutonium in a mixed oxide fuel (MOX). Thor Energy and an international consortium are currently irradiating plutonia-thoria (Th-MOX) fuel in an effort to produce data for its licensing basis. During fuel-manufacturing research and development (R&D), surrogate materials were utilized to highlight procedures and build experience. Cerium dioxide (ceria) provides a good surrogate platform to replicate the chemical nature of plutonium dioxide. The project's fuel manufacturing R&D focused on powder metallurgical techniques to ensure manufacturability with the current commercial MOX fuel production infrastructure. The following paper highlights basics of the ceria-thoria fuel production including powder milling, pellet pressing and pellet sintering. Green pellets and sintered pellets were manufactured with average densities of 67.0% and 95.5% that of theoretical density respectively.

The human homeobox genes MSX-1, MSX-2, and MOX-1 are differentially expressed in the dermis and epidermis in fetal and adult skin.

PubMed

Stelnicki, E J; Kömüves, L G; Holmes, D; Clavin, W; Harrison, M R; Adzick, N S; Largman, C

1997-10-01

In order to identify homeobox genes which may regulate skin development and possibly mediate scarless fetal wound healing we have screened amplified human fetal skin cDNAs by polymerase chain reaction (PCR) using degenerate oligonucleotide primers designed against highly conserved regions within the homeobox. We identified three non-HOX homeobox genes, MSX-1, MSX-2, and MOX-1, which were differentially expressed in fetal and adult human skin. MSX-1 and MSX-2 were detected in the epidermis, hair follicles, and fibroblasts of the developing fetal skin by in situ hybridization. In contrast, MSX-1 and MSX-2 expression in adult skin was confined to epithelially derived structures. Immunohistochemical analysis of these two genes suggested that their respective homeoproteins may be differentially regulated. While Msx-1 was detected in the cell nucleus of both fetal and adult skin; Msx-2 was detected as a diffuse cytoplasmic signal in fetal epidermis and portions of the hair follicle and dermis, but was localized to the nucleus in adult epidermis. MOX-1 was expressed in a pattern similar to MSX early in gestation but then was restricted exclusively to follicular cells in the innermost layer of the outer root sheath by 21 weeks of development. Furthermore, MOX-1 expression was completely absent in adult cutaneous tissue. These data imply that each of these homeobox genes plays a specific role in skin development.

The use of MOX caramel fuel mixed with 241Am, 242mAm and 243Am as burnable absorber actinides for the MTR research reactors.

PubMed

Shaaban, Ismail; Albarhoum, Mohamad

2017-07-01

The MOX (UO 2 &PuO 2 ) caramel fuel mixed with 241 Am, 242m Am and 243 Am as burnable absorber actinides was proposed as a fuel of the MTR-22MW reactor. The MCNP4C code was used to simulate the MTR-22MW reactor and estimate the criticality and the neutronic parameters, and the power peaking factors before and after replacing its original fuel (U 3 O 8 -Al) by the MOX caramel fuel mixed with 241 Am, 242m Am and 243 Am actinides. The obtained results of the criticality, the neutronic parameters, and the power peaking factors for the MOX caramel fuel mixed with 241 Am, 242m Am and 243 Am actinides were compared with the same parameters of the U 3 O 8 -Al original fuel and a maximum difference is -6.18% was found. Additionally, by recycling 2.65% and 2.71% plutonium and 241 Am, 242m Am and 243 Am actinides in the MTR-22MW reactor, the level of 235 U enrichment is reduced from 4.48% to 3% and 2.8%, respectively. This also results in the reduction of the 235 U loading by 32.75% and 37.22% for the 2.65%, the 2.71% plutonium and 241 Am, 242m Am and 243 Am actinides, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.

PubMed

Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N

2013-01-14

The oxime derived from 6-acetyl-1,3,7-trimethyllumazine (1) ((E-6-(hydroxyimino)ethyl)-1,3,7-trimethylpteridine-2,4(1H,3H)-dione, DLMAceMox) has been prepared and its molecular and crystal structure determined from spectral and XRD data. The oxime ligand was reacted with silver nitrate, perchlorate, thiocyanate, trifluoromethylsulfonate and tetrafluoroborate to give complexes with formulas [Ag(2)(DLMAceMox)(2)(NO(3))(2)](n) (2), [Ag(2)(DLMAceMox)(2)(ClO(4))(2)](n) (3), [Ag(2)(DLMAceMox)(2)(SCN)(2)] (4), [Ag(2)(DLMAceMox)(2)(CF(3)SO(3))(2)(CH(3)CH(2)OH)]·CH(3)CH(2)OH (5) and [Ag(DLMAceMox)(2)]BF(4) (6). Single-crystal XRD studies show that the asymmetrical residual unit of complexes 2, 3 and 5 contains two quite different but connected silver centers (Ag1-Ag2, 2.9-3.2 Å). In addition to this, the Ag1 ion displays coordination with the N5 and O4 atoms from both lumazine moieties and a ligand (nitrato, perchlorato or ethanol) bridging to another disilver unit. The Ag2 ion is coordinated to the N61 oxime nitrogens, a monodentate and a (O,O)-bridging nitrato/perchlorato or two monodentate O-trifluoromethylsulfonato anions. The coordination polyhedra can be best described as a strongly distorted octahedron (around Ag1) and a square-based pyramid (around Ag2). The Ag-N and Ag-O bond lengths range between 2.22-2.41 and 2.40-2.67 Å, respectively. Although the structure of 4 cannot be resolved by XRD, it is likely to be similar to those described for 2, 3 and 5, containing Ag-Ag units with S-thiocyanato terminal ligands. Finally, the structure of the tetrafluoroborate compound 6 is mononuclear with a strongly distorted tetrahedral AgN(4) core (Ag-N, 2.27-2.43 Å). Always, the different Ag-N distances found clearly point to the more basic character of the oxime N61 nitrogen atom when compared with the pyrazine N5 one. A topological analysis of the electron density within the framework provided by the quantum theory of atoms in molecules (QTAIM) using DFT(M06L) levels of theory has been performed. Every Ag-Ag and Ag-ligand interaction has been characterized in terms of Laplacian of the electron density, [nabla](2)ρ(r), and the total energy density, H(r).

The efficacy of a combined oral formulation of derquantel-abamectin against anthelmintic resistant gastro-intestinal nematodes of sheep in the UK.

PubMed

Geurden, Thomas; Hodge, Andrew; Noé, Laura; Winstanley, Dana; Bartley, David J; Taylor, Mike; Morgan, Colin; Fraser, Sarah J; Maeder, Steven; Bartram, David

2012-10-26

The objective of the present studies was to evaluate the efficacy of a combined formulation (Startect(®) Dual Active Oral Solution for Sheep, Pfizer Animal Health) of derquantel (DQL) and abamectin (ABA) for the treatment of: (1) sheep experimentally infected with a moxidectin (MOX)-resistant isolate of Teladorsagia circumcincta, and (2) multi-drug resistant gastrointestinal nematode parasites under UK field conditions. In the first study, a total of 40 animals were allocated into 4 treatment groups, and were either left untreated or treated with DQL+ABA, MOX or ABA. Faecal samples were collected on days 1-5 and on day 7 after treatment to examine the reduction in faecal egg excretion and to evaluate the egg viability. On day 14 post treatment all animals were euthanised for abomasal worm counts. There was a 100% reduction in geometric mean worm counts for the DQL+ABA treated animals compared to the untreated control animals (P<0.0001), whereas the percentage reduction in worm counts for the MOX- (P>0.05) and ABA-treated (P=0.0004) animals was 12.4% and 71.8%, respectively. The data from the egg hatch assay (EHA) indicated that in the MOX-treated and the ABA-treated animals, the majority of the eggs hatched after treatment. In the field study, performed on four farms, animals were allocated into 6 groups of 11-15 animals each in order to conduct a faecal egg count reduction test (FECRT), based on arithmetic mean egg counts. One group of animals remained untreated, whereas the other animals were treated with DQL+ABA, MOX, fenbendazole (FBZ), levamisole (LV) or ivermectin (IVM). On each of the farms the reduction in egg excretion after treatment with FBZ, LV or IVM was below 95.0%, indicating anthelmintic resistance. The efficacy of DQL+ABA ranged from 99.1 to 100%, yielding significantly lower egg counts compared to the untreated control group (P ≤ 0.003). For MOX the egg counts were significantly (P ≤ 0.003) lower compared to the untreated group at each farm, with reductions varying from 98.2 to 100%. The post-treatment copro-cultures for larva identification indicated that T. circumcincta was the most abundant worm species after treatment (52-99% of the larvae). The results of these studies confirm the high efficacy of the DQL+ABA combination formulation against anthelmintic resistant nematodes in the UK. Copyright © 2012 Elsevier B.V. All rights reserved.

Oxidizing dissolution mechanism of an irradiated MOX fuel in underwater aerated conditions at slightly acidic pH

NASA Astrophysics Data System (ADS)

Magnin, M.; Jégou, C.; Caraballo, R.; Broudic, V.; Tribet, M.; Peuget, S.; Talip, Z.

2015-07-01

The (U,Pu)O2 matrix behavior of an irradiated MIMAS-type (MIcronized MASter blend) MOX fuel, under radiolytic oxidation in aerated pure water at pH 5-5.5 was studied by combining chemical and radiochemical analyses of the alteration solution with Raman spectroscopy characterizations of the surface state. Two leaching experiments were performed on segments of irradiated fuel under different conditions: with or without an external γ irradiation field, over long periods (222 and 604 days, respectively). The gamma irradiation field was intended to be representative of the irradiation conditions for a fuel assembly in an underwater interim storage situation. The data acquired enabled an alteration mechanism to be established, characterized by uranium (UO22+) release mainly controlled by solubility of studtite over the long-term. The massive precipitation of this phase was observed for the two experiments based on high uranium oversaturation indexes of the solution and the kinetics involved depended on the irradiation conditions. External gamma irradiation accelerated the precipitation kinetics and the uranium concentrations (2.9 × 10-7 mol/l) were lower than for the non-irradiated reference experiment (1.4 × 10-5 mol/l), as the quantity of hydrogen peroxide was higher. Under slightly acidic pH conditions, the formation of an oxidized UO2+x phase was not observed on the surface and did not occur in the radiolysis dissolution mechanism of the fuel matrix. The Raman spectroscopy performed on the heterogeneous MOX fuel matrix surface, showed that the fluorite structure of the mainly UO2 phase surrounding the Pu-enriched aggregates had not been particularly impacted by any major structural change compared to the data obtained prior to leaching. For the plutonium, its behavior in solution involved a continuous release up to concentrations of approximately 3 × 10-6 mol L-1 with negligible colloid formation. This data appears to support a predominance of the +V oxidation state for plutonium in solution under highly oxidizing conditions. Furthermore, the Raman spectroscopy monitoring of the sample surface oxidation states did not point to any significant effect from the high Pu content of the aggregates (10-15%) and therefore did not indicate a better aggregate stability under radiolysis compared to the mainly UO2 matrix. This is because acidic pH conditions do not favor the development of oxidized layers on a fuel surface, with the exception of secondary phases.

Impact of conversion to mixed-oxide fuels on reactor structural components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yahr, G.T.

1997-04-01

The use of mixed-oxide (MOX) fuel to replace conventional uranium fuel in commercial light-water power reactors will result in an increase in the neutron flux. The impact of the higher flux on the structural integrity of reactor structural components must be evaluated. This report briefly reviews the effects of radiation on the mechanical properties of metals. Aging degradation studies and reactor operating experience provide a basis for determining the areas where conversion to MOX fuels has the potential to impact the structural integrity of reactor components.

X-ray Photoelectron Spectroscopy study of CaV1-xMoxO3-δ

NASA Astrophysics Data System (ADS)

Belyakov, S. A.; Kuznetsov, M. V.; Shkerin, S. N.

2018-06-01

An investigation was carried out on perovskite-based derivatives of CaV1-xMoxO3-δ using X-ray Photoelectron Spectroscopy (XPS). According to the XRD pattern, the area of homogeneity covers the region from x = 0 to x = 0.6. Wide XPS-peaks of Ca, V, Mo and O are observed, signalling that elements are presented in multiple states. A model for explaining the large chemical shifts of XPS peaks due to different charging effects on different parts of the sample surface is proposed.

Design of anti- and pro-aggregation variants to assess the effects of methionine oxidation in human prion protein

PubMed Central

Wolschner, Christina; Giese, Armin; Kretzschmar, Hans A.; Huber, Robert; Moroder, Luis; Budisa, Nediljko

2009-01-01

Prion disease is characterized by the α→β structural conversion of the cellular prion protein (PrPC) into the misfolded and aggregated “scrapie” (PrPSc) isoform. It has been speculated that methionine (Met) oxidation in PrPC may have a special role in this process, but has not been detailed and assigned individually to the 9 Met residues of full-length, recombinant human PrPC [rhPrPC(23-231)]. To better understand this oxidative event in PrP aggregation, the extent of periodate-induced Met oxidation was monitored by electrospray ionization-MS and correlated with aggregation propensity. Also, the Met residues were replaced with isosteric and chemically stable, nonoxidizable analogs, i.e., with the more hydrophobic norleucine (Nle) and the highly hydrophilic methoxinine (Mox). The Nle-rhPrPC variant is an α-helix rich protein (like Met-rhPrPC) resistant to oxidation that lacks the in vitro aggregation properties of the parent protein. Conversely, the Mox-rhPrPC variant is a β-sheet rich protein that features strong proaggregation behavior. In contrast to the parent Met-rhPrPC, the Nle/Mox-containing variants are not sensitive to periodate-induced in vitro aggregation. The experimental results fully support a direct correlation of the α→β secondary structure conversion in rhPrPC with the conformational preferences of Met/Nle/Mox residues. Accordingly, sporadic prion and other neurodegenerative diseases, as well as various aging processes, might also be caused by oxidative stress leading to Met oxidation. PMID:19416900

Mössbauer study of modified iron-molybdenum catalysts for methanol oxidation

NASA Astrophysics Data System (ADS)

Ivanov, K. I.; Mitov, I. G.; Krustev, St. V.; Boyanov, B. S.

2010-03-01

The preparation and catalytic properties of mixed Fe-Mo-W catalysts toward methanol oxidation are investigated. Mössbauer spectroscopy, X-ray diffraction and chemical studies revealed the formation of two types of solid solutions with compositions Fe2(MoxW1-xO4)3 and (MoxW1-x)O3. The solid solutions formed are characterized by high activity and selectivity upon methanol oxidation and are of interest in view of their practical application. Sodium-doped iron-molybdenum catalysts are also investigated and the NaFe(MoO4)2 formation was established.

Confirmation of shutdown cooling effects

NASA Astrophysics Data System (ADS)

Sato, Kotaro; Tabuchi, Masato; Sugimura, Naoki; Tatsumi, Masahiro

2015-12-01

After the Fukushima accidents, all nuclear power plants in Japan have gradually stopped their operations and have long periods of shutdown. During those periods, reactivity of fuels continues to change significantly especially for high-burnup UO2 fuels and MOX fuels due to radioactive decays. It is necessary to consider these isotopic changes precisely, to predict neutronics characteristics accurately. In this paper, shutdown cooling (SDC) effects of UO2 and MOX fuels that have unusual operation histories are confirmed by the advanced lattice code, AEGIS. The calculation results show that the effects need to be considered even after nuclear power plants come back to normal operation.

Analysis on fuel breeding capability of FBR core region based on minor actinide recycling doping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Permana, Sidik; Novitrian,; Waris, Abdul

Nuclear fuel breeding based on the capability of fuel conversion capability can be achieved by conversion ratio of some fertile materials into fissile materials during nuclear reaction processes such as main fissile materials of U-233, U-235, Pu-239 and Pu-241 and for fertile materials of Th-232, U-238, and Pu-240 as well as Pu-238. Minor actinide (MA) loading option which consists of neptunium, americium and curium will gives some additional contribution from converted MA into plutonium such as conversion Np-237 into Pu-238 and it's produced Pu-238 converts to Pu-239 via neutron capture. Increasing composition of Pu-238 can be used to produce fissilemore » material of Pu-239 as additional contribution. Trans-uranium (TRU) fuel (Mixed fuel loading of MOX (U-Pu) and MA composition) and mixed oxide (MOX) fuel compositions are analyzed for comparative analysis in order to show the effect of MA to the plutonium productions in core in term of reactor criticality condition and fuel breeding capability. In the present study, neptunium (Np) nuclide is used as a representative of MAin trans-uranium (TRU) fuel composition as Np-MOX fuel type. It was loaded into the core region gives significant contribution to reduce the excess reactivity in comparing to mixed oxide (MOX) fuel and in the same time it contributes to increase nuclear fuel breeding capability of the reactor. Neptunium fuel loading scheme in FBR core region gives significant production of Pu-238 as fertile material to absorp neutrons for reducing excess reactivity and additional contribution for fuel breeding.« less

Augmented switching linear dynamical system model for gas concentration estimation with MOX sensors in an open sampling system.

PubMed

Di Lello, Enrico; Trincavelli, Marco; Bruyninckx, Herman; De Laet, Tinne

2014-07-11

In this paper, we introduce a Bayesian time series model approach for gas concentration estimation using Metal Oxide (MOX) sensors in Open Sampling System (OSS). Our approach focuses on the compensation of the slow response of MOX sensors, while concurrently solving the problem of estimating the gas concentration in OSS. The proposed Augmented Switching Linear System model allows to include all the sources of uncertainty arising at each step of the problem in a single coherent probabilistic formulation. In particular, the problem of detecting on-line the current sensor dynamical regime and estimating the underlying gas concentration under environmental disturbances and noisy measurements is formulated and solved as a statistical inference problem. Our model improves, with respect to the state of the art, where system modeling approaches have been already introduced, but only provided an indirect relative measures proportional to the gas concentration and the problem of modeling uncertainty was ignored. Our approach is validated experimentally and the performances in terms of speed of and quality of the gas concentration estimation are compared with the ones obtained using a photo-ionization detector.

Augmented Switching Linear Dynamical System Model for Gas Concentration Estimation with MOX Sensors in an Open Sampling System

PubMed Central

Di Lello, Enrico; Trincavelli, Marco; Bruyninckx, Herman; De Laet, Tinne

2014-01-01

In this paper, we introduce a Bayesian time series model approach for gas concentration estimation using Metal Oxide (MOX) sensors in Open Sampling System (OSS). Our approach focuses on the compensation of the slow response of MOX sensors, while concurrently solving the problem of estimating the gas concentration in OSS. The proposed Augmented Switching Linear System model allows to include all the sources of uncertainty arising at each step of the problem in a single coherent probabilistic formulation. In particular, the problem of detecting on-line the current sensor dynamical regime and estimating the underlying gas concentration under environmental disturbances and noisy measurements is formulated and solved as a statistical inference problem. Our model improves, with respect to the state of the art, where system modeling approaches have been already introduced, but only provided an indirect relative measures proportional to the gas concentration and the problem of modeling uncertainty was ignored. Our approach is validated experimentally and the performances in terms of speed of and quality of the gas concentration estimation are compared with the ones obtained using a photo-ionization detector. PMID:25019637

Meta assembler enhancements and generalized linkage editor

NASA Technical Reports Server (NTRS)

1979-01-01

A meta Assembler for NASA was developed. The initial development of the Meta Assembler for the SUMC was performed. The capabilities included assembly for both main and micro level programs. A period of checkout and utilization to verify the performance of the Meta Assembler was undertaken. Additional enhancements were made to the Meta Assembler which expanded the target computer family to include architectures represented by the PDP-11, MODCOMP 2, and Raytheon 706 computers.

Broadband ultrafast nonlinear absorption and nonlinear refraction of layered molybdenum dichalcogenide semiconductors

NASA Astrophysics Data System (ADS)

Wang, Kangpeng; Feng, Yanyan; Chang, Chunxia; Zhan, Jingxin; Wang, Chengwei; Zhao, Quanzhong; Coleman, Jonathan N.; Zhang, Long; Blau, Werner J.; Wang, Jun

2014-08-01

A series of layered molybdenum dichalcogenides, i.e., MoX2 (X = S, Se and Te), were prepared in cyclohexyl pyrrolidinone by a liquid-phase exfoliation technique. The high quality of the two-dimensional nanostructures was verified by transmission electron microscopy and absorption spectroscopy. Open- and closed-aperture Z-scans were employed to study the nonlinear absorption and nonlinear refraction of the MoX2 dispersions, respectively. All the three-layered nanostructures exhibit prominent ultrafast saturable absorption (SA) for both femtosecond (fs) and picosecond (ps) laser pulses over a broad wavelength range from the visible to the near infrared. While the dispersions treated with low-speed centrifugation (1500 rpm) have an SA response, and the MoS2 and MoSe2 dispersions after higher speed centrifugation (10 000 rpm) possess two-photon absorption for fs pulses at 1030 nm, which is due to the significant reduction of the average thickness of the nanosheets; hence, the broadening of band gap. In addition, all dispersions show obvious nonlinear self-defocusing for ps pulses at both 1064 nm and 532 nm, resulting from the thermally-induced nonlinear refractive index. The versatile ultrafast nonlinear properties imply a huge potential of the layered MoX2 semiconductors in the development of nanophotonic devices, such as mode-lockers, optical limiters, optical switches, etc.A series of layered molybdenum dichalcogenides, i.e., MoX2 (X = S, Se and Te), were prepared in cyclohexyl pyrrolidinone by a liquid-phase exfoliation technique. The high quality of the two-dimensional nanostructures was verified by transmission electron microscopy and absorption spectroscopy. Open- and closed-aperture Z-scans were employed to study the nonlinear absorption and nonlinear refraction of the MoX2 dispersions, respectively. All the three-layered nanostructures exhibit prominent ultrafast saturable absorption (SA) for both femtosecond (fs) and picosecond (ps) laser pulses over a broad wavelength range from the visible to the near infrared. While the dispersions treated with low-speed centrifugation (1500 rpm) have an SA response, and the MoS2 and MoSe2 dispersions after higher speed centrifugation (10 000 rpm) possess two-photon absorption for fs pulses at 1030 nm, which is due to the significant reduction of the average thickness of the nanosheets; hence, the broadening of band gap. In addition, all dispersions show obvious nonlinear self-defocusing for ps pulses at both 1064 nm and 532 nm, resulting from the thermally-induced nonlinear refractive index. The versatile ultrafast nonlinear properties imply a huge potential of the layered MoX2 semiconductors in the development of nanophotonic devices, such as mode-lockers, optical limiters, optical switches, etc. Electronic supplementary information (ESI) available: Electron scattering patterns from TEM characterizations of MX2 nanosheets; CA Z-scan results of graphene dispersions in the ps region. See DOI: 10.1039/c4nr02634a

Potential of pin-by-pin SPN calculations as an industrial reference

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fliscounakis, M.; Girardi, E.; Courau, T.

2012-07-01

This paper aims at analysing the potential of pin-by-pin SP{sub n} calculations to compute the neutronic flux in PWR cores as an alternative to the diffusion approximation. As far as pin-by-pin calculations are concerned, a SPH equivalence is used to preserve the reactions rates. The use of SPH equivalence is a common practice in core diffusion calculations. In this paper, a methodology to generalize the equivalence procedure in the SP{sub n} equations context is presented. In order to verify and validate the equivalence procedure, SP{sub n} calculations are compared to 2D transport reference results obtained with the APOLL02 code. Themore » validation cases consist in 3x3 analytical assembly color sets involving burn-up heterogeneities, UOX/MOX interfaces, and control rods. Considering various energy discretizations (up to 26 groups) and flux development orders (up to 7) for the SP{sub n} equations, results show that 26-group SP{sub 3} calculations are very close to the transport reference (with pin production rates discrepancies < 1%). This proves the high interest of pin-by-pin SP{sub n} calculations as an industrial reference when relying on 26 energy groups combined with SP{sub 3} flux development order. Additionally, the SP{sub n} results are compared to diffusion pin-by-pin calculations, in order to evaluate the potential benefit of using a SP{sub n} solver as an alternative to diffusion. Discrepancies on pin-production rates are less than 1.6% for 6-group SP{sub 3} calculations against 3.2% for 2-group diffusion calculations. This shows that SP{sub n} solvers may be considered as an alternative to multigroup diffusion. (authors)« less

Neural assembly computing.

PubMed

Ranhel, João

2012-06-01

Spiking neurons can realize several computational operations when firing cooperatively. This is a prevalent notion, although the mechanisms are not yet understood. A way by which neural assemblies compute is proposed in this paper. It is shown how neural coalitions represent things (and world states), memorize them, and control their hierarchical relations in order to perform algorithms. It is described how neural groups perform statistic logic functions as they form assemblies. Neural coalitions can reverberate, becoming bistable loops. Such bistable neural assemblies become short- or long-term memories that represent the event that triggers them. In addition, assemblies can branch and dismantle other neural groups generating new events that trigger other coalitions. Hence, such capabilities and the interaction among assemblies allow neural networks to create and control hierarchical cascades of causal activities, giving rise to parallel algorithms. Computing and algorithms are used here as in a nonstandard computation approach. In this sense, neural assembly computing (NAC) can be seen as a new class of spiking neural network machines. NAC can explain the following points: 1) how neuron groups represent things and states; 2) how they retain binary states in memories that do not require any plasticity mechanism; and 3) how branching, disbanding, and interaction among assemblies may result in algorithms and behavioral responses. Simulations were carried out and the results are in agreement with the hypothesis presented. A MATLAB code is available as a supplementary material.

The present and future of de novo whole-genome assembly.

PubMed

Sohn, Jang-Il; Nam, Jin-Wu

2018-01-01

As the advent of next-generation sequencing (NGS) technology, various de novo assembly algorithms based on the de Bruijn graph have been developed to construct chromosome-level sequences. However, numerous technical or computational challenges in de novo assembly still remain, although many bright ideas and heuristics have been suggested to tackle the challenges in both experimental and computational settings. In this review, we categorize de novo assemblers on the basis of the type of de Bruijn graphs (Hamiltonian and Eulerian) and discuss the challenges of de novo assembly for short NGS reads regarding computational complexity and assembly ambiguity. Then, we discuss how the limitations of the short reads can be overcome by using a single-molecule sequencing platform that generates long reads of up to several kilobases. In fact, the long read assembly has caused a paradigm shift in whole-genome assembly in terms of algorithms and supporting steps. We also summarize (i) hybrid assemblies using both short and long reads and (ii) overlap-based assemblies for long reads and discuss their challenges and future prospects. This review provides guidelines to determine the optimal approach for a given input data type, computational budget or genome. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Specific low temperature release of 131Xe from irradiated MOX fuel

NASA Astrophysics Data System (ADS)

Hiernaut, J.-P.; Wiss, T.; Rondinella, V. V.; Colle, J.-Y.; Sasahara, A.; Sonoda, T.; Konings, R. J. M.

2009-08-01

A particular low temperature behaviour of the 131Xe isotope was observed during release studies of fission gases from MOX fuel samples irradiated at 44.5 GWd/tHM. A reproducible release peak, representing 2.7% of the total release of the only 131Xe, was observed at ˜1000 K, the rest of the release curve being essentially identical for all the other xenon isotopes. The integral isotopic composition of the different xenon isotopes is in very good agreement with the inventory calculated using ORIGEN-2. The presence of this particular release is explained by the relation between the thermal diffusion and decay properties of the various iodine radioisotopes decaying all into xenon.

High-temperature Mechanical Properties and Microstructure of ZrTiHfNbMox (x=0.5, 1.0, 1.5) Refractory High Entropy Alloys

NASA Astrophysics Data System (ADS)

Chen, Y. W.; Li, Y. K.; Cheng, X. W.; Wu, C.; Cheng, B.

2018-05-01

Refractory high entropy alloys (RHEAs), with excellent properties at high temperature, have several applications. In this work, the ZrTiHfNbMox (x=0.5, 1.0, 1.5) alloys were prepared by arc melting. All these alloys form body centered cubic (BCC) structure without other intermediate phases. The Mo element contributes to the strength of alloys at high temperature, but too much of Mo decreases the plasticity severely and enhances the strength. The ZrTiHfNbMo alloy, whose compressive stress is 1099 MPa at 800° C, is a promising material for high-temperature applications.

Frances: A Tool for Understanding Computer Architecture and Assembly Language

ERIC Educational Resources Information Center

Sondag, Tyler; Pokorny, Kian L.; Rajan, Hridesh

2012-01-01

Students in all areas of computing require knowledge of the computing device including software implementation at the machine level. Several courses in computer science curricula address these low-level details such as computer architecture and assembly languages. For such courses, there are advantages to studying real architectures instead of…

Plutonium-uranium mixed oxide characterization by coupling micro-X-ray diffraction and absorption investigations

NASA Astrophysics Data System (ADS)

Degueldre, C.; Martin, M.; Kuri, G.; Grolimund, D.; Borca, C.

2011-09-01

Plutonium-uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The potential differences of metal redox state and microstructural developments of the matrix before and after irradiation are commonly analysed by electron probe microanalysis. In this work the structure and next-neighbor atomic environments of Pu and U oxide features within unirradiated homogeneous MOX and irradiated (60 MW d kg -1) MOX samples was analysed by micro-X-ray fluorescence (μ-XRF), micro-X-ray diffraction (μ-XRD) and micro-X-ray absorption fine structure (μ-XAFS) spectroscopy. The grain properties, chemical bonding, valences and stoichiometry of Pu and U are determined from the experimental data gained for the unirradiated as well as for irradiated fuel material examined in the center of the fuel as well as in its peripheral zone (rim). The formation of sub-grains is observed as well as their development from the center to the rim (polygonization). In the irradiated sample Pu remains tetravalent (>95%) and no (<5%) Pu(V) or Pu(VI) can be detected while the fuel could undergo slight oxidation in the rim zone. Any slight potential plutonium oxidation is buffered by the uranium dioxide matrix while locally fuel cladding interaction could also affect the redox of the fuel.

A case study of coupling upflow anaerobic sludge blanket (UASB) and ANITA™ Mox process to treat high-strength landfill leachate.

PubMed

Lu, Ting; George, Biju; Zhao, Hong; Liu, Wenjun

2016-01-01

A pilot study was conducted to study the treatability of high-strength landfill leachate by a combined process including upflow anaerobic sludge blanket (UASB), carbon removal (C-stage) moving bed biofilm reactor (MBBR) and ANITA™ Mox process. The major innovation on this pilot study is the patent-pending process invented by Veolia that integrates the above three unit processes with an effluent recycle stream, which not only maintains the low hydraulic retention time to enhance the treatment performance but also reduces inhibiting effect from chemicals present in the high-strength leachate. This pilot study has demonstrated that the combined process was capable of treating high-strength leachate with efficient chemical oxygen demand (COD) and nitrogen removals. The COD removal efficiency by the UASB was 93% (from 45,000 to 3,000 mg/L) at a loading rate of 10 kg/(m(3)·d). The C-stage MBBR removed an additional 500 to 1,000 mg/L of COD at a surface removal rate (SRR) of 5 g/(m(2)·d) and precipitated 400 mg/L of calcium. The total inorganic nitrogen removal efficiency by the ANITA Mox reactor was about 70% at SRR of 1.0 g/(m(2)·d).

A sacrificial millipede altruistically protects its swarm using a drone blood enzyme, mandelonitrile oxidase

PubMed Central

Ishida, Yuko; Kuwahara, Yasumasa; Dadashipour, Mohammad; Ina, Atsutoshi; Yamaguchi, Takuya; Morita, Masashi; Ichiki, Yayoi; Asano, Yasuhisa

2016-01-01

Soldiers of some eusocial insects exhibit an altruistic self-destructive defense behavior in emergency situations when attacked by large enemies. The swarm-forming invasive millipede, Chamberlinius hualienensis, which is not classified as eusocial animal, exudes irritant chemicals such as benzoyl cyanide as a defensive secretion. Although it has been thought that this defensive chemical was converted from mandelonitrile, identification of the biocatalyst has remained unidentified for 40 years. Here, we identify the novel blood enzyme, mandelonitrile oxidase (ChuaMOX), which stoichiometrically catalyzes oxygen consumption and synthesis of benzoyl cyanide and hydrogen peroxide from mandelonitrile. Interestingly the enzymatic activity is suppressed at a blood pH of 7, and the enzyme is segregated by membranes of defensive sacs from mandelonitrile which has a pH of 4.6, the optimum pH for ChuaMOX activity. In addition, strong body muscle contractions are necessary for de novo synthesis of benzoyl cyanide. We propose that, to protect its swarm, the sacrificial millipede also applies a self-destructive defense strategy—the endogenous rupturing of the defensive sacs to mix ChuaMOX and mandelonitrile at an optimum pH. Further study of defensive systems in primitive arthropods will pave the way to elucidate the evolution of altruistic defenses in the animal kingdom. PMID:27265180

Paclitaxel synergizes with exposure time adjusted CD22-targeting immunotoxins against B-cell malignancies.

PubMed

Müller, Fabian; Stookey, Stephanie; Cunningham, Tyler; Pastan, Ira

2017-05-09

CD22-targeted recombinant immunotoxins (rIT) are active in hairy cell leukemia or acute lymphoblastic leukemia (ALL), but not in mantle cell lymphoma (MCL) patients. The goal was to enhance rIT efficacy in vivo and to define a strong combination treatment. Activity of Moxetumomab pasudotox (Moxe) and LR combined with paclitaxel was tested against MCL cell lines in vitro and as bolus doses or continuous infusion in xenograft models. In the KOPN-8 ALL xenograft, Moxe or paclitaxel alone was active, but all mice died from leukemia; when combined, 60% of the mice achieved a sustained complete remission. Against MCL cells in vitro, LR was more active than Moxe and the cells had to be exposed to rIT for more than 24 hours for them to die. To maintain high blood levels in vivo, LR was administered continuously by 7-day pumps achieving a well-tolerated steady plasma concentration of 45 ng/ml. In JeKo-1 xenografts, continuously administered LR was 14-fold more active than bolus doses and the combination with paclitaxel additionally improved responses by 135-fold. Maintaining high rIT-plasma levels greatly improves responses in the JeKo-1 model and paclitaxel substantially enhances bolus and continuously infused rIT, supporting a clinical evaluation against B-cell malignancies.

Bio-Benchmarking of Electronic Nose Sensors

PubMed Central

Berna, Amalia Z.; Anderson, Alisha R.; Trowell, Stephen C.

2009-01-01

Background Electronic noses, E-Noses, are instruments designed to reproduce the performance of animal noses or antennae but generally they cannot match the discriminating power of the biological original and have, therefore, been of limited utility. The manner in which odorant space is sampled is a critical factor in the performance of all noses but so far it has been described in detail only for the fly antenna. Methodology Here we describe how a set of metal oxide (MOx) E-Nose sensors, which is the most commonly used type, samples odorant space and compare it with what is known about fly odorant receptors (ORs). Principal Findings Compared with a fly's odorant receptors, MOx sensors from an electronic nose are on average more narrowly tuned but much more highly correlated with each other. A set of insect ORs can therefore sample broader regions of odorant space independently and redundantly than an equivalent number of MOx sensors. The comparison also highlights some important questions about the molecular nature of fly ORs. Conclusions The comparative approach generates practical learnings that may be taken up by solid-state physicists or engineers in designing new solid-state electronic nose sensors. It also potentially deepens our understanding of the performance of the biological system. PMID:19641604

A sacrificial millipede altruistically protects its swarm using a drone blood enzyme, mandelonitrile oxidase.

PubMed

Ishida, Yuko; Kuwahara, Yasumasa; Dadashipour, Mohammad; Ina, Atsutoshi; Yamaguchi, Takuya; Morita, Masashi; Ichiki, Yayoi; Asano, Yasuhisa

2016-06-06

Soldiers of some eusocial insects exhibit an altruistic self-destructive defense behavior in emergency situations when attacked by large enemies. The swarm-forming invasive millipede, Chamberlinius hualienensis, which is not classified as eusocial animal, exudes irritant chemicals such as benzoyl cyanide as a defensive secretion. Although it has been thought that this defensive chemical was converted from mandelonitrile, identification of the biocatalyst has remained unidentified for 40 years. Here, we identify the novel blood enzyme, mandelonitrile oxidase (ChuaMOX), which stoichiometrically catalyzes oxygen consumption and synthesis of benzoyl cyanide and hydrogen peroxide from mandelonitrile. Interestingly the enzymatic activity is suppressed at a blood pH of 7, and the enzyme is segregated by membranes of defensive sacs from mandelonitrile which has a pH of 4.6, the optimum pH for ChuaMOX activity. In addition, strong body muscle contractions are necessary for de novo synthesis of benzoyl cyanide. We propose that, to protect its swarm, the sacrificial millipede also applies a self-destructive defense strategy-the endogenous rupturing of the defensive sacs to mix ChuaMOX and mandelonitrile at an optimum pH. Further study of defensive systems in primitive arthropods will pave the way to elucidate the evolution of altruistic defenses in the animal kingdom.

Cathodic electrodeposition of mixed molybdenum tungsten oxides from peroxo-polymolybdotungstate solutions.

PubMed

Kondrachova, Lilia; Hahn, Benjamin P; Vijayaraghavan, Ganesh; Williams, Ryan D; Stevenson, Keith J

2006-12-05

Mixed molybdenum tungsten trioxide films of varying stoichiometry (MoxW1 - xO3, 0 < x < 1) were prepared by cathodic electrodeposition on indium tin oxide (ITO)-coated glass substrates from aqueous peroxo-polymolybdotungstate solutions. Electrochemical quartz crystal microbalance (EQCM), cyclic voltammetry, and chronocoulometry were used to gain insight into the electrodeposition mechanism. The compositional and structural properties were characterized for MoxW1 - xO3 films deposited at intermediate potentials (-0.35 V vs Ag/AgCl) and sintered at 250 degrees C using energy-dispersive spectroscopy, X-ray diffraction, and Raman spectroscopy. These studies reveal that films consist of homogeneously mixed MoxW1 - xO3, with an enriched Mo content ranging in composition from 0.4 < x < 0.7 depending upon the mol % Mo present in the deposition solution. Chronoamperometry and spectroelectrochemical measurements were conducted to estimate lithium ion diffusion coefficients and coloration efficiencies for the mixed metal oxide films in 1 M LiClO4/propylene carbonate. The subtle interplay between structural and compositional properties due to the uniform mixing of Mo and W oxide components shows that electrochromic and lithium ion transport properties are moderately enhanced relative to those of single-component WO3 and MoO3 and demonstrate improved structural stability over pure MoO3 polymorphs during electrochemical cycling.

Microstructure of cotton fibrous assemblies based on computed tomography

NASA Astrophysics Data System (ADS)

Jing, Hui; Yu, Weidong

2017-12-01

This paper describes for the first time the analysis of inner microstructure of cotton fibrous assemblies using computed tomography. Microstructure parameters such as packing density, fractal dimension as well as porosity including open porosity, closed porosity and total porosity are calculated based on 2D data from computed tomography. Values of packing density and fractal dimension are stable in random oriented fibrous assemblies, and there exists a satisfactory approximate linear relationship between them. Moreover, poles analysis indicates that porosity represents the tightness of fibrous assemblies and open poles are main existence.

21st International Conference on DNA Computing and Molecular Programming: 8.1 Biochemistry

DTIC Science & Technology

include information storage and biological applications of DNA systems, biomolecular chemical reaction networks, applications of self -assembled DNA...nanostructures, tile self -assembly and computation, principles and models of self -assembly, and strand displacement and biomolecular circuits. The fund

Moxifloxacin superior to cefuroxime in reducing bacterial adhesion of Staphylococcus epidermidis on hydrophobic intraocular lenses.

PubMed

Benbouzid, Fathalah; Kodjikian, Laurent; Hartmann, Daniel; Renaud, François; Baillif, Stéphanie

2016-02-01

To compare the anti-adhesive effect of cefuroxime and moxifloxacin on the primary attachment phase of Staphylococcus epidermidis on hydrophobic acrylic intraocular lenses (IOLs). Forty hydrophobic acrylic IOLs were used. Two groups of IOLs were soaked in a moxifloxacin (Mox-T1: 0.5 mg/0.1 ml) or a cefuroxime (Cef-T1: cefuroxime 1 mg/0.1 ml) solution before incubation in a S. epidermidis bacterial suspension. Two other groups were incubated in the bacterial suspension before antibiotics (Cef-T2 and Mox-T2) were added. The control group (Ctrl) consisted of IOLs incubated in the bacterial suspension. After incubation, IOLs were sonicated and vortexed. The resultant suspension was spread over a nutritive agar plate. Bacterial colonies were counted after 24 hr of incubation. Mean number of colony-forming units per IOL was Cef-T1: 184 × 10(3) (SE: 5.24; SD: 28.21), Cef-T2: 117 × 10(3) (SE: 5.74; SD: 30.37), Mox-T1: 1.27 × 10(3) (SE: 0.12; SD: 0.61), Mox-T2: 25 × 10(3) (SE:1.98; SD: 9.72) and Ctrl: 361 × 10(3) (SE: 26.9; SD: 107.6). The number of adhering bacteria did not vary whether cefuroxime was added before or after IOL incubation in the bacterial suspension (p = 0.132). Moxifloxacin was more effective in reducing the number of adhering bacteria when used before IOL incubation (p < 0.001). Overall for T1 and T2, moxifloxacin was more effective than cefuroxime in reducing bacterial adhesion on IOLs (p < 0.001). Moxifloxacin and cefuroxime significantly reduced S. epidermidis adhesion on hydrophobic acrylic IOLs. The anti-adhesive effect was superior with moxifloxacin. © 2015 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Fate of methane in aquatic systems dominated by free-floating plants.

PubMed

Kosten, Sarian; Piñeiro, Marcia; de Goede, Eefje; de Klein, Jeroen; Lamers, Leon P M; Ettwig, Katharina

2016-11-01

Worldwide the area of free-floating plants is increasing, which can be expected to alter methane (CH 4 ) emissions from aquatic systems in several ways. A large proportion of the CH 4 produced may become oxidized below the plants due to the accumulation of CH 4 as a result of a decrease in the diffusive water-atmosphere flux and the entrapment of part of the ebullitive CH 4 , in combination with suitable conditions for methane oxidizing (MOX) bacteria in the aerobic rhizosphere. We used a set of essays to test this hypothesis and to explore the effect of different densities for three widespread free-floating species: Azolla filiculoides, Salvinia natans, and Eichhornia crassipes. The gas exchange velocity, proportion of CH 4 bubbles trapped by the plants, occurrence of radial oxygen loss from roots, and MOX rates on the roots were assessed. We subsequently used the outcome of these experiments to parameterize a simple model. With this model we estimated the proportion of the produced CH 4 that is oxidized, for different plant species and different densities. We found that in a shallow (1 m) system up to 70% of the CH 4 produced may become oxidized as a result of a strong decrease in gas exchange combined with high MOX activity of the rhizosphere microbiome. As floating plants also are likely to increase CH 4 production by organic matter production, especially when their presence induces anaerobic conditions, the overall effect on CH 4 emission will strongly depend on local conditions. This explains the contrasting effects of floating plants on CH 4 emissions in literature as reviewed here. As the effect of floating plants on CH 4 emissions, including the high MOX rates we show here, can be substantial, there is an urgent need to consider this impact when assessing greenhouse gas budgets. Copyright © 2016 Elsevier Ltd. All rights reserved.

Are termite mounds biofilters for methane? - Challenges and new approaches to quantify methane oxidation in termite mounds

NASA Astrophysics Data System (ADS)

Nauer, Philipp A.; Hutley, Lindsay B.; Bristow, Mila; Arndt, Stefan K.

2015-04-01

Methane emissions from termites contribute around 3% to global methane in the atmosphere, although the total source estimate for termites is the most uncertain among all sources. In tropical regions, the relative source contribution of termites can be far higher due to the high biomass and relative importance of termites in plant decomposition. Past research focused on net emission measurements and their variability, but little is known about underlying processes governing these emissions. In particular, microbial oxidation of methane (MOX) within termite mounds has rarely been investigated. In well-studied ecosystems featuring an oxic matrix above an anoxic methane-producing habitat (e.g. landfills or sediments), the fraction of oxidized methane (fox) can reach up to 90% of gross production. However, conventional mass-balance approaches to apportion production and consumption processes can be challenging to apply in the complex-structured and almost inaccessible environment of a termite mound. In effect, all field-based data on termite-mound MOX is based on one study that measured isotopic shifts in produced and emitted methane. In this study a closed-system isotope fractionation model was applied and estimated fox ranged from 10% to almost 100%. However, it is shown here that by applying an open-system isotope-pool model, the measured isotopic shifts can also be explained by physical transport of methane alone. Different field-based methods to quantify MOX in termite mounds are proposed which do not rely on assumptions of physical gas transport. A simple approach is the use of specific inhibitors for MOX, e.g. difluoromethane (CH2F2), combined with chamber-based flux measurements before and after their application. Data is presented on the suitability of different inhibitors and first results of their application in the field. Alternatively, gas-tracer methods allow the quantification of methane oxidation and reaction kinetics without knowledge of physical gas transport. Two concepts of gas-tracer-test applications in termite mounds are presented, together with 3D photogrammetric approaches to estimate volume, surface area and internal gas volume of termite mounds that enables acuare scaling of methane production and consumption. In a further phase of the project, the application of these methods in a comprehensive field survey in the Australian savanna ecosystem will give insights into major driving factors of MOX in termite mounds, a major driver of nutrient cycling in this extensive tropical ecosystem.

Intelligent electrical harness connector assembly using Bell Helicopter Textron's 'Wire Harness Automated Manufacturing System'

NASA Astrophysics Data System (ADS)

Springer, D. W.

Bell Helicopter Textron, Incorporated (BHTI) installed two Digital Equipment Corporation PDP-11 computers and an American Can Inc. Ink Jet printer in 1980 as the cornerstone of the Wire Harness Automated Manufacturing System (WHAMS). WHAMS is based upon the electrical assembly philosophy of continuous filament harness forming. This installation provided BHTI with a 3 to 1 return-on-investment by reducing wire and cable identification cycle time by 80 percent and harness forming, on dedicated layout tooling, by 40 percent. Yet, this improvement in harness forming created a bottle neck in connector assembly. To remove this bottle neck, BHTI has installed a prototype connector assembly cell that integrates the WHAMS' data base and innovative computer technologies to cut harness connector assembly cycle time. This novel connector assembly cell uses voice recognition, laser identification, and animated computer graphics to help the electrician in the correct assembly of harness connectors.

Low-power lead-cooled fast reactor loaded with MOX-fuel

NASA Astrophysics Data System (ADS)

Sitdikov, E. R.; Terekhova, A. M.

2017-01-01

Fast reactor for the purpose of implementation of research, education of undergraduate and doctoral students in handling innovative fast reactors and training specialists for atomic research centers and nuclear power plants (BRUTs) was considered. Hard neutron spectrum achieved in the fast reactor with compact core and lead coolant. Possibility of prompt neutron runaway of the reactor is excluded due to the low reactivity margin which is less than the effective fraction of delayed neutrons. The possibility of using MOX fuel in the BRUTs reactor was examined. The effect of Keff growth connected with replacement of natural lead coolant to 208Pb coolant was evaluated. The calculations and reactor core model were performed using the Serpent Monte Carlo code.

An IBM 370 assembly language program verifier

NASA Technical Reports Server (NTRS)

Maurer, W. D.

1977-01-01

The paper describes a program written in SNOBOL which verifies the correctness of programs written in assembly language for the IBM 360 and 370 series of computers. The motivation for using assembly language as a source language for a program verifier was the realization that many errors in programs are caused by misunderstanding or ignorance of the characteristics of specific computers. The proof of correctness of a program written in assembly language must take these characteristics into account. The program has been compiled and is currently running at the Center for Academic and Administrative Computing of The George Washington University.

Theory of Connectivity: Nature and Nurture of Cell Assemblies and Cognitive Computation.

PubMed

Li, Meng; Liu, Jun; Tsien, Joe Z

2016-01-01

Richard Semon and Donald Hebb are among the firsts to put forth the notion of cell assembly-a group of coherently or sequentially-activated neurons-to represent percept, memory, or concept. Despite the rekindled interest in this century-old idea, the concept of cell assembly still remains ill-defined and its operational principle is poorly understood. What is the size of a cell assembly? How should a cell assembly be organized? What is the computational logic underlying Hebbian cell assemblies? How might Nature vs. Nurture interact at the level of a cell assembly? In contrast to the widely assumed randomness within the mature but naïve cell assembly, the Theory of Connectivity postulates that the brain consists of the developmentally pre-programmed cell assemblies known as the functional connectivity motif (FCM). Principal cells within such FCM is organized by the power-of-two-based mathematical principle that guides the construction of specific-to-general combinatorial connectivity patterns in neuronal circuits, giving rise to a full range of specific features, various relational patterns, and generalized knowledge. This pre-configured canonical computation is predicted to be evolutionarily conserved across many circuits, ranging from these encoding memory engrams and imagination to decision-making and motor control. Although the power-of-two-based wiring and computational logic places a mathematical boundary on an individual's cognitive capacity, the fullest intellectual potential can be brought about by optimized nature and nurture. This theory may also open up a new avenue to examining how genetic mutations and various drugs might impair or improve the computational logic of brain circuits.

Extreme-Scale De Novo Genome Assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Georganas, Evangelos; Hofmeyr, Steven; Egan, Rob

De novo whole genome assembly reconstructs genomic sequence from short, overlapping, and potentially erroneous DNA segments and is one of the most important computations in modern genomics. This work presents HipMER, a high-quality end-to-end de novo assembler designed for extreme scale analysis, via efficient parallelization of the Meraculous code. Genome assembly software has many components, each of which stresses different components of a computer system. This chapter explains the computational challenges involved in each step of the HipMer pipeline, the key distributed data structures, and communication costs in detail. We present performance results of assembling the human genome and themore » large hexaploid wheat genome on large supercomputers up to tens of thousands of cores.« less

Use of a novel medium, the Polymyxin Ceftazidime Oxford Medium, for isolation of Listeria monocytogenes from raw or non-pasteurized foods.

PubMed

Martínez-Gonzáles, N E; Martínez-Chávez, L; Cabrera-Díaz, E; Martínez-Cárdenas, C; Gutiérrez-González, P; Castillo, A

2016-05-01

Polymyxin Ceftazidime Oxford Medium (PCOM), a novel selective and differential plating medium for Listeria monocytogenes was compared with Modified Oxford Agar (MOX) for efficacy to isolate L. monocytogenes and other Listeria spp. naturally present in non-pasteurized Mexican-style cheese (n = 50), non-pasteurized fresh squeezed orange juice (n = 50), raw beef chunks (n = 36), and fresh cabbage (n = 125). Samples were collected from retail markets and farms in Mexico and tested following the US Department of Agriculture enrichment technique. Listeria spp. were isolated from 23.4% of analyzed samples, and from those, 75.0% corresponded to raw beef chunks, 38.0% to non-pasteurized Mexican-style cheese, and 30.0% to fresh squeezed orange juice. No Listeria spp. were isolated from fresh cabbage samples. L. monocytogenes was recovered from 15.3% of food samples analyzed. Non-pasteurized Mexican-style cheese showed the highest proportion of L. monocytogenes positive samples (36.0%), followed by orange juice (26.0%) and raw beef (25.0%). The frequency of isolation of Listeria spp. and L. monocytogenes was not different (P > 0.05) between PCOM and MOX. The advantages of using PCOM when comparing to MOX, include the easier way to identify Listeria species, the lower cost per plate and the availability of its ingredients for Latin-American countries. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of Moxidectin Treatment at Peripartum on Gastrointestinal Parasite Infections in Ewes Raised under Tropical Andes High Altitude Conditions

PubMed Central

Vargas-Duarte, J. J.; Lozano-Márquez, H.; Grajales-Lombana, H. A.; Manrique-Perdomo, C.; Martínez-Bello, D. A.; Saegerman, C.; Raes, M.; Kirschvink, N.

2015-01-01

This study tested the impact of moxidectin at peripartum on nematode fecal egg count (FEC) and clinical parameters on ewes in the high altitude tropical Andes of Colombia. FEC and clinical evaluations were performed on 9 occasions in 43 naturally infected ewes before and during gestation and after lambing. Moxidectin (Mox, 200 µg kg−1) was applied at late pregnancy (T 1, n = 15) or 48 hours after parturition (T 2, n = 14). 14 untreated ewes served as controls (C). Suckling lambs (n = 58) remained untreated and underwent four clinical and parasitological evaluations until 8 weeks after birth. Mox efficacy equaled 99.3% (T 1) and 96.9% (T 2). Highest mean FEC value reflecting periparturient nematode egg rise (PPER) was recorded in C ewes at 4–6 weeks after lambing. Significant FEC reductions were found in T 1 (94.8%) and T 2 (96.7%) ewes (p < 0.05). All lambs showed a significant and ewes-group independent increase in FEC before weaning (p < 0.05). Clinical parameters (anemia and diarrhea) showed time- and treatment-related differences (p < 0.05). Monitoring of FEC and clinical parameters linked to gastrointestinal parasite infections allowed demonstrating that postpartum or preweaning are two critical periods to nematode infection for sheep raised under tropical Andes high altitude conditions. Use of Mox as anthelmintic treatment prevented PPER. PMID:26078913

Strength Loss in MA-MOX Green Pellets from Radiation Damage to Binders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul A. Lessing; W.R. Cannon; Gerald W. Egeland

The fracture strength of green Minor Actinides (MA)-MOX pellets containing 75 wt.% DUO2, 20 wt. % PuO2, 3 wt. % AmO2 and 2 wt. % NpO2 was studied as a function of storage time, after mixing in the binder and before sintering, to test the effect of radiation damage on binders. Fracture strength degraded continuously over the 10 days of the study for all three binders studied: PEG binder (Carbowax 8000), microcrystalline wax (Mobilcer X) and Styrene-acrylic copolymer (Duramax B1022) but the fracture strength of Duramax B1022 degraded the least. For instance, for several hours after mixing Carbowax 8000 withmore » MA MOX, the fracture strength of a pellet was reasonably high and pellets were easily handled without breaking but the pellets were too weak to handle after 10 days. Strength measured using diametral compression test showed strength degradation was more rapid in pellets containing 1.0 wt. % Carbowax PEG 8000 compared to those containing only 0.2 wt. %, suggesting that irradiation not only left the binder less effective but also reduced the pellet strength. In contrast the strength of pellets containing Duramax B1022 degraded very little over the 10 day period. It was suggested that the styrene portion of the Duramax B1022 copolymer provided the radiation resistance.« less

Mars surface chemistry investigated with the MOx probe: A 1-kg optical microsensor-based chemical analysis instrument

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ricco, A.J.; Butler, M.A.; Grunthaner, F.J.

The authors have designed and built the prototype of an instrument that will use fiber optic micromirror-based chemical sensors to investigate the surprising reactivity of martian soil reported by several Viking Lander Experiments in the mid 1970s. The MOx (Mars Oxidant Experiment) Instrument, which will probe the reactivity of the near-surface martian atmosphere as well as soil, utilizes an array of chemically sensitive thin films including metals, organometallics, and organic dyes to produce a pattern of reflectivity changes characteristic of the species interacting with these sensing layers. The 850-g system includes LED light sources, optical fiber light guides, silicon micromachinedmore » fixtures, a line-array CCD detector, control-and-measurement electronics, microprocessor, memory, interface, batteries, and housing. This instrument monitors real-time reflectivities from an array of {approximately}200 separate micromirrors. The unmanned Russian Mars 96 mission is slated to carry the MOx Instrument along with experiments from several other nations. The principles of the chemically sensitive micromirror upon which this instrument is based will be described and preliminary data for reactions of micromirrors with oxidant materials believed to be similar to those on Mars will be presented. The general design of the instrument, including Si micromachined components, as well as the range of coatings and the rationale for their selection, will be discussed as well.« less

Impact of Reprocessed Uranium Management on the Homogeneous Recycling of Transuranics in PWRs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Youinou, Gilles J.

This article presents the results of a neutronics analysis related to the homogeneous recycling of transuranics (TRU) in PWRs with a MOX fuel using enriched uranium instead of depleted uranium. It also addresses an often, if not always, overlooked aspect related to the recycling of TRU in PWRs, namely the use of reprocessed uranium. From a neutronics point of view, it is possible to multi-recycle the entirety of the plutonium with or without neptunium and americium in a PWR fleet using MOX-EU fuel in between one third and two thirds of the fleet. Recycling neptunium and americium with plutonium significantlymore » decreases the decay heat of the waste stream between 100 to 1,000 years compared to those of an open fuel cycle or when only plutonium is recycled. The uranium present in MOX-EU used fuel still contains a significant amount of 235uranium and recycling it makes a major difference on the natural uranium needs. For example, a PWR fleet recycling its plutonium, neptunium and americium in MOXEU needs 28 percent more natural uranium than a reference UO 2 open cycle fleet generating the same energy if the reprocessed uranium is not recycled and 19 percent less if the reprocessed uranium is recycled back in the reactors, i.e. a 47 percent difference.« less

Impact of Reprocessed Uranium Management on the Homogeneous Recycling of Transuranics in PWRs

DOE PAGES

Youinou, Gilles J.

2017-05-04

This article presents the results of a neutronics analysis related to the homogeneous recycling of transuranics (TRU) in PWRs with a MOX fuel using enriched uranium instead of depleted uranium. It also addresses an often, if not always, overlooked aspect related to the recycling of TRU in PWRs, namely the use of reprocessed uranium. From a neutronics point of view, it is possible to multi-recycle the entirety of the plutonium with or without neptunium and americium in a PWR fleet using MOX-EU fuel in between one third and two thirds of the fleet. Recycling neptunium and americium with plutonium significantlymore » decreases the decay heat of the waste stream between 100 to 1,000 years compared to those of an open fuel cycle or when only plutonium is recycled. The uranium present in MOX-EU used fuel still contains a significant amount of 235uranium and recycling it makes a major difference on the natural uranium needs. For example, a PWR fleet recycling its plutonium, neptunium and americium in MOXEU needs 28 percent more natural uranium than a reference UO 2 open cycle fleet generating the same energy if the reprocessed uranium is not recycled and 19 percent less if the reprocessed uranium is recycled back in the reactors, i.e. a 47 percent difference.« less

CESAR5.3: Isotopic depletion for Research and Testing Reactor decommissioning

NASA Astrophysics Data System (ADS)

Ritter, Guillaume; Eschbach, Romain; Girieud, Richard; Soulard, Maxime

2018-05-01

CESAR stands in French for "simplified depletion applied to reprocessing". The current version is now number 5.3 as it started 30 years ago from a long lasting cooperation with ORANO, co-owner of the code with CEA. This computer code can characterize several types of nuclear fuel assemblies, from the most regular PWR power plants to the most unexpected gas cooled and graphite moderated old timer research facility. Each type of fuel can also include numerous ranges of compositions like UOX, MOX, LEU or HEU. Such versatility comes from a broad catalog of cross section libraries, each corresponding to a specific reactor and fuel matrix design. CESAR goes beyond fuel characterization and can also provide an evaluation of structural materials activation. The cross-sections libraries are generated using the most refined assembly or core level transport code calculation schemes (CEA APOLLO2 or ERANOS), based on the European JEFF3.1.1 nuclear data base. Each new CESAR self shielded cross section library benefits all most recent CEA recommendations as for deterministic physics options. Resulting cross sections are organized as a function of burn up and initial fuel enrichment which allows to condensate this costly process into a series of Legendre polynomials. The final outcome is a fast, accurate and compact CESAR cross section library. Each library is fully validated, against a stochastic transport code (CEA TRIPOLI 4) if needed and against a reference depletion code (CEA DARWIN). Using CESAR does not require any of the neutron physics expertise implemented into cross section libraries generation. It is based on top quality nuclear data (JEFF3.1.1 for ˜400 isotopes) and includes up to date Bateman equation solving algorithms. However, defining a CESAR computation case can be very straightforward. Most results are only 3 steps away from any beginner's ambition: Initial composition, in core depletion and pool decay scenario. On top of a simple utilization architecture, CESAR includes a portable Graphical User Interface which can be broadly deployed in R&D or industrial facilities. Aging facilities currently face decommissioning and dismantling issues. This way to the end of the nuclear fuel cycle requires a careful assessment of source terms in the fuel, core structures and all parts of a facility that must be disposed of with "industrial nuclear" constraints. In that perspective, several CESAR cross section libraries were constructed for early CEA Research and Testing Reactors (RTR's). The aim of this paper is to describe how CESAR operates and how it can be used to help these facilities care for waste disposal, nuclear materials transport or basic safety cases. The test case will be based on the PHEBUS Facility located at CEA - Cadarache.

A Context-Aware Ubiquitous Learning Approach for Providing Instant Learning Support in Personal Computer Assembly Activities

ERIC Educational Resources Information Center

Hsu, Ching-Kun; Hwang, Gwo-Jen

2014-01-01

Personal computer assembly courses have been recognized as being essential in helping students understand computer structure as well as the functionality of each computer component. In this study, a context-aware ubiquitous learning approach is proposed for providing instant assistance to individual students in the learning activity of a…

Modeling biological problems in computer science: a case study in genome assembly.

PubMed

Medvedev, Paul

2018-01-30

As computer scientists working in bioinformatics/computational biology, we often face the challenge of coming up with an algorithm to answer a biological question. This occurs in many areas, such as variant calling, alignment and assembly. In this tutorial, we use the example of the genome assembly problem to demonstrate how to go from a question in the biological realm to a solution in the computer science realm. We show the modeling process step-by-step, including all the intermediate failed attempts. Please note this is not an introduction to how genome assembly algorithms work and, if treated as such, would be incomplete and unnecessarily long-winded. © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Theory of Connectivity: Nature and Nurture of Cell Assemblies and Cognitive Computation

PubMed Central

Li, Meng; Liu, Jun; Tsien, Joe Z.

2016-01-01

Richard Semon and Donald Hebb are among the firsts to put forth the notion of cell assembly—a group of coherently or sequentially-activated neurons—to represent percept, memory, or concept. Despite the rekindled interest in this century-old idea, the concept of cell assembly still remains ill-defined and its operational principle is poorly understood. What is the size of a cell assembly? How should a cell assembly be organized? What is the computational logic underlying Hebbian cell assemblies? How might Nature vs. Nurture interact at the level of a cell assembly? In contrast to the widely assumed randomness within the mature but naïve cell assembly, the Theory of Connectivity postulates that the brain consists of the developmentally pre-programmed cell assemblies known as the functional connectivity motif (FCM). Principal cells within such FCM is organized by the power-of-two-based mathematical principle that guides the construction of specific-to-general combinatorial connectivity patterns in neuronal circuits, giving rise to a full range of specific features, various relational patterns, and generalized knowledge. This pre-configured canonical computation is predicted to be evolutionarily conserved across many circuits, ranging from these encoding memory engrams and imagination to decision-making and motor control. Although the power-of-two-based wiring and computational logic places a mathematical boundary on an individual’s cognitive capacity, the fullest intellectual potential can be brought about by optimized nature and nurture. This theory may also open up a new avenue to examining how genetic mutations and various drugs might impair or improve the computational logic of brain circuits. PMID:27199674

Nanostructured Metal Oxide Gas Sensors, a Survey of Applications Carried out at SENSOR Lab, Brescia (Italy) in the Security and Food Quality Fields

PubMed Central

Ponzoni, Andrea; Comini, Elisabetta; Concina, Isabella; Ferroni, Matteo; Falasconi, Matteo; Gobbi, Emanuela; Sberveglieri, Veronica; Sberveglieri, Giorgio

2012-01-01

In this work we report on metal oxide (MOX) based gas sensors, presenting the work done at the SENSOR laboratory of the CNR-IDASC and University of Brescia, Italy since the 80s up to the latest results achieved in recent times. In particular we report the strategies followed at SENSOR during these 30 years to increase the performance of MOX sensors through the development of different preparation techniques, from Rheotaxial Growth Thermal Oxidation (RGTO) to nanowire technology to address sensitivity and stability, and the development of electronic nose systems and pattern recognition techniques to address selectivity. We will show the obtained achievement in the context of selected applications such as safety and security and food quality control. PMID:23235445

A XAS study of the local environments of cations in (U, Ce)O 2

NASA Astrophysics Data System (ADS)

Martin, Philippe; Ripert, Michel; Petit, Thierry; Reich, Tobias; Hennig, Christoph; D'Acapito, Francesco; Hazemann, Jean Louis; Proux, Olivier

2003-01-01

Mixed oxide (MOX) fuel is usually considered as a solid solution formed by uranium and plutonium dioxides. Nevertheless, some physico-chemical properties of (U 1- y, Pu y)O 2 samples manufactured under industrial conditions showed anomalies in the domain of plutonium contents ranging between 3 and 15 at.%. Cerium is commonly used as an inactive analogue of plutonium in preliminary studies on MOX fuels. Extended X-ray Absorption Fine Structure (EXAFS) measurements performed at the European Synchrotron Radiation Facility (ESRF) at the cerium and uranium edges on (U 1- y, Ce y)O 2 samples are presented and discussed. They confirmed on an atomic scale the formation of an ideal solid solution for cerium concentrations ranging between 0 and 50 at.%.

AutoAssemblyD: a graphical user interface system for several genome assemblers.

PubMed

Veras, Adonney Allan de Oliveira; de Sá, Pablo Henrique Caracciolo Gomes; Azevedo, Vasco; Silva, Artur; Ramos, Rommel Thiago Jucá

2013-01-01

Next-generation sequencing technologies have increased the amount of biological data generated. Thus, bioinformatics has become important because new methods and algorithms are necessary to manipulate and process such data. However, certain challenges have emerged, such as genome assembly using short reads and high-throughput platforms. In this context, several algorithms have been developed, such as Velvet, Abyss, Euler-SR, Mira, Edna, Maq, SHRiMP, Newbler, ALLPATHS, Bowtie and BWA. However, most such assemblers do not have a graphical interface, which makes their use difficult for users without computing experience given the complexity of the assembler syntax. Thus, to make the operation of such assemblers accessible to users without a computing background, we developed AutoAssemblyD, which is a graphical tool for genome assembly submission and remote management by multiple assemblers through XML templates. AssemblyD is freely available at https://sourceforge.net/projects/autoassemblyd. It requires Sun jdk 6 or higher.

FY 2016 Status Report: Documentation of All CIRFT Data including Hydride Reorientation Tests (Draft M2)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jy-An John; Wang, Hong; Jiang, Hao

The first portion of this report provides a detailed description of fiscal year (FY) 2015 test result corrections and analysis updates based on FY 2016 updates to the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) program methodology, which is used to evaluate the vibration integrity of spent nuclear fuel (SNF) under normal conditions of transport (NCT). The CIRFT consists of a U-frame test setup and a real-time curvature measurement method. The three-component U-frame setup of the CIRFT has two rigid arms and linkages connecting to a universal testing machine. The curvature SNF rod bending is obtained through a three-point deflection measurementmore » method. Three linear variable differential transformers (LVDTs) are clamped to the side connecting plates of the U-frame and used to capture deformation of the rod. The second portion of this report provides the latest CIRFT data, including data for the hydride reorientation test. The variations in fatigue life are provided in terms of moment, equivalent stress, curvature, and equivalent strain for the tested SNFs. The equivalent stress plot collapsed the data points from all of the SNF samples into a single zone. A detailed examination revealed that, at the same stress level, fatigue lives display a descending order as follows: H. B. Robinson Nuclear Power Station (HBR), LMK, and mixed uranium-plutonium oxide (MOX). Just looking at the strain, LMK fuel has a slightly longer fatigue life than HBR fuel, but the difference is subtle. The third portion of this report provides finite element analysis (FEA) dynamic deformation simulation of SNF assemblies . In a horizontal layout under NCT, the fuel assembly’s skeleton, which is formed by guide tubes and spacer grids, is the primary load bearing apparatus carrying and transferring vibration loads within an SNF assembly. These vibration loads include interaction forces between the SNF assembly and the canister basket walls. Therefore, the integrity of the guide tubes and spacer grids critically affects the vibration intensity of the fuel assembly during transport and must be considered when developing the multipurpose purpose canister (MPC) design for safe SNF transport.« less

Structural characterisation of medically relevant protein assemblies by integrating mass spectrometry with computational modelling.

PubMed

Politis, Argyris; Schmidt, Carla

2018-03-20

Structural mass spectrometry with its various techniques is a powerful tool for the structural elucidation of medically relevant protein assemblies. It delivers information on the composition, stoichiometries, interactions and topologies of these assemblies. Most importantly it can deal with heterogeneous mixtures and assemblies which makes it universal among the conventional structural techniques. In this review we summarise recent advances and challenges in structural mass spectrometric techniques. We describe how the combination of the different mass spectrometry-based methods with computational strategies enable structural models at molecular levels of resolution. These models hold significant potential for helping us in characterizing the function of protein assemblies related to human health and disease. In this review we summarise the techniques of structural mass spectrometry often applied when studying protein-ligand complexes. We exemplify these techniques through recent examples from literature that helped in the understanding of medically relevant protein assemblies. We further provide a detailed introduction into various computational approaches that can be integrated with these mass spectrometric techniques. Last but not least we discuss case studies that integrated mass spectrometry and computational modelling approaches and yielded models of medically important protein assembly states such as fibrils and amyloids. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Modeling Effects of RNA on Capsid Assembly Pathways via Coarse-Grained Stochastic Simulation

PubMed Central

Smith, Gregory R.; Xie, Lu; Schwartz, Russell

2016-01-01

The environment of a living cell is vastly different from that of an in vitro reaction system, an issue that presents great challenges to the use of in vitro models, or computer simulations based on them, for understanding biochemistry in vivo. Virus capsids make an excellent model system for such questions because they typically have few distinct components, making them amenable to in vitro and modeling studies, yet their assembly can involve complex networks of possible reactions that cannot be resolved in detail by any current experimental technology. We previously fit kinetic simulation parameters to bulk in vitro assembly data to yield a close match between simulated and real data, and then used the simulations to study features of assembly that cannot be monitored experimentally. The present work seeks to project how assembly in these simulations fit to in vitro data would be altered by computationally adding features of the cellular environment to the system, specifically the presence of nucleic acid about which many capsids assemble. The major challenge of such work is computational: simulating fine-scale assembly pathways on the scale and in the parameter domains of real viruses is far too computationally costly to allow for explicit models of nucleic acid interaction. We bypass that limitation by applying analytical models of nucleic acid effects to adjust kinetic rate parameters learned from in vitro data to see how these adjustments, singly or in combination, might affect fine-scale assembly progress. The resulting simulations exhibit surprising behavioral complexity, with distinct effects often acting synergistically to drive efficient assembly and alter pathways relative to the in vitro model. The work demonstrates how computer simulations can help us understand how assembly might differ between the in vitro and in vivo environments and what features of the cellular environment account for these differences. PMID:27244559

A Proposed Programming System for Knuth's Mix Computer.

ERIC Educational Resources Information Center

Akers, Max Neil

A programing system using a hypothetical computer is proposed for use in teaching machine and assembly language programing courses. Major components such as monitor, assembler, interpreter, grader, and diagnostics are described. The interpreter is programed and documented for use on an IBM 360/67 computer. The interpreter can be used for teaching…

LightAssembler: fast and memory-efficient assembly algorithm for high-throughput sequencing reads.

PubMed

El-Metwally, Sara; Zakaria, Magdi; Hamza, Taher

2016-11-01

The deluge of current sequenced data has exceeded Moore's Law, more than doubling every 2 years since the next-generation sequencing (NGS) technologies were invented. Accordingly, we will able to generate more and more data with high speed at fixed cost, but lack the computational resources to store, process and analyze it. With error prone high throughput NGS reads and genomic repeats, the assembly graph contains massive amount of redundant nodes and branching edges. Most assembly pipelines require this large graph to reside in memory to start their workflows, which is intractable for mammalian genomes. Resource-efficient genome assemblers combine both the power of advanced computing techniques and innovative data structures to encode the assembly graph efficiently in a computer memory. LightAssembler is a lightweight assembly algorithm designed to be executed on a desktop machine. It uses a pair of cache oblivious Bloom filters, one holding a uniform sample of [Formula: see text]-spaced sequenced [Formula: see text]-mers and the other holding [Formula: see text]-mers classified as likely correct, using a simple statistical test. LightAssembler contains a light implementation of the graph traversal and simplification modules that achieves comparable assembly accuracy and contiguity to other competing tools. Our method reduces the memory usage by [Formula: see text] compared to the resource-efficient assemblers using benchmark datasets from GAGE and Assemblathon projects. While LightAssembler can be considered as a gap-based sequence assembler, different gap sizes result in an almost constant assembly size and genome coverage. https://github.com/SaraEl-Metwally/LightAssembler CONTACT: sarah_almetwally4@mans.edu.egSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

A computationally simple model for determining the time dependent spectral neutron flux in a nuclear reactor core

NASA Astrophysics Data System (ADS)

Schneider, E. A.; Deinert, M. R.; Cady, K. B.

2006-10-01

The balance of isotopes in a nuclear reactor core is key to understanding the overall performance of a given fuel cycle. This balance is in turn most strongly affected by the time and energy-dependent neutron flux. While many large and involved computer packages exist for determining this spectrum, a simplified approach amenable to rapid computation is missing from the literature. We present such a model, which accepts as inputs the fuel element/moderator geometry and composition, reactor geometry, fuel residence time and target burnup and we compare it to OECD/NEA benchmarks for homogeneous MOX and UOX LWR cores. Collision probability approximations to the neutron transport equation are used to decouple the spatial and energy variables. The lethargy dependent neutron flux, governed by coupled integral equations for the fuel and moderator/coolant regions is treated by multigroup thermalization methods, and the transport of neutrons through space is modeled by fuel to moderator transport and escape probabilities. Reactivity control is achieved through use of a burnable poison or adjustable control medium. The model calculates the buildup of 24 actinides, as well as fission products, along with the lethargy dependent neutron flux and the results of several simulations are compared with benchmarked standards.

Reactors as a Source of Antineutrinos: Effects of Fuel Loading and Burnup for Mixed-Oxide Fuels

NASA Astrophysics Data System (ADS)

Bernstein, Adam; Bowden, Nathaniel S.; Erickson, Anna S.

2018-01-01

In a conventional light-water reactor loaded with a range of uranium and plutonium-based fuel mixtures, the variation in antineutrino production over the cycle reflects both the initial core fissile inventory and its evolution. Under an assumption of constant thermal power, we calculate the rate at which antineutrinos are emitted from variously fueled cores, and the evolution of that rate as measured by a representative ton-scale antineutrino detector. We find that antineutrino flux decreases with burnup for low-enriched uranium cores, increases for full mixed-oxide (MOX) cores, and does not appreciably change for cores with a MOX fraction of approximately 75%. Accounting for uncertainties in the fission yields in the emitted antineutrino spectra and the detector response function, we show that the difference in corewide MOX fractions at least as small as 8% can be distinguished using a hypothesis test. The test compares the evolution of the antineutrino rate relative to an initial value over part or all of the cycle. The use of relative rates reduces the sensitivity of the test to an independent thermal power measurement, making the result more robust against possible countermeasures. This rate-only approach also offers the potential advantage of reducing the cost and complexity of the antineutrino detectors used to verify the diversion, compared to methods that depend on the use of the antineutrino spectrum. A possible application is the verification of the disposition of surplus plutonium in nuclear reactors.

SrFe1‑xMoxO2+δ : parasitic ferromagnetism in an infinite-layer iron oxide with defect structures induced by interlayer oxygen

NASA Astrophysics Data System (ADS)

Guo, Jianhui; Shi, Lei; Zhao, Jiyin; Wang, Yang; Yuan, Xueyou; Li, Yang; Wu, Liang

2018-04-01

The recent discovered compound SrFeO2 is an infinite-layer-structure iron oxide with unusual square-planar coordination of Fe2+ ions. In this study, SrFe1‑xMoxO2+δ (x < 0.12) is obtained by crystal transformation from SrFe1‑xMoxO3‑δ perovskite via low-temperature (≤380 °C) topotactic reduction. The parasitic ferromagnetism of the compound and its relationship to the defect structures are investigated. It is found that substitution of high-valent Mo6+ for Fe2+ results in excess oxygen anions O2‑ inserted at the interlayer sites for charge compensation, which further causes large atomic displacements along the c-axis. Due to the robust but flexible Fe-O-Fe framework, the samples are well crystallized within the ab-plane, but are significantly poorer crystallized along the c-axis. Defect structures including local lattice distortions and edge dislocations responsible for the lowered crystallinity are observed by high resolution transmission electron microscopy. Both the magnetic measurements and electron spin resonance spectra provide the evidence of a parasitic ferromagnetism (FM). The week FM interaction originated from the imperfect antiferromagnetic (AFM) ordering could be ascribed to the introduction of uncompensated magnetic moments due to substitution of Mo6+ (S = 0) for Fe2+ (S = 2) and the canted/frustrated spins resulted from defect structures.

Phenotypic characterization of 10 methanol oxidation mutant classes in Methylobacterium sp. strain AM1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nunn, D.N.; Lidstrom, M.E.

Twenty-five methanol oxidation mutants of the facultative methylotroph Methylobacterium sp. strain AM1 have been characterized by complementation analysis and assigned to 10 complementation groups, Mox A1, A2, A3, and B through H. In this study we have characterized each of the mutants belonging to the 10 Mox complementation groups for the following criteria: (i) phenazine methosulfate-dichlorophenolindophenol dye-linked methanol dehydrogenase activity; (ii) methanol-dependent whole-cell oxygen consumption; (iii) the presence or absence of methanol dehydrogenase protein by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and Western blotting; (iv) the absorption spectra of purified mutant methanol dehydrogenase proteins; and (v) the presence or absence ofmore » the soluble cytochrome c proteins of Methylobacterium sp. strain AM1, as determined by reduced-oxidized difference spectra and sodium dodecyl sulfate-polyacrylamide gel electrophoresis. With this information, we have proposed functions for each of the genes deficient in the mutants of the 10 Mox complementation groups. These proposed gene functions include two linked genes that encode the methanol dehydrogenase structural protein and the soluble cytochrome c/sub L/, a gene encoding a secretion function essential for the synthesis and export of methanol dehydrogenase and cytochrome c/sub L/, three gene functions responsible for the proper association of the pyrrolo-quinoline quinone prosthetic group with the methanol dehydrogenase apoprotein, and four positive regulatory gene functions controlling the expression of the ability to oxidize methanol.« less

Logical NAND and NOR Operations Using Algorithmic Self-assembly of DNA Molecules

NASA Astrophysics Data System (ADS)

Wang, Yanfeng; Cui, Guangzhao; Zhang, Xuncai; Zheng, Yan

DNA self-assembly is the most advanced and versatile system that has been experimentally demonstrated for programmable construction of patterned systems on the molecular scale. It has been demonstrated that the simple binary arithmetic and logical operations can be computed by the process of self assembly of DNA tiles. Here we report a one-dimensional algorithmic self-assembly of DNA triple-crossover molecules that can be used to execute five steps of a logical NAND and NOR operations on a string of binary bits. To achieve this, abstract tiles were translated into DNA tiles based on triple-crossover motifs. Serving as input for the computation, long single stranded DNA molecules were used to nucleate growth of tiles into algorithmic crystals. Our method shows that engineered DNA self-assembly can be treated as a bottom-up design techniques, and can be capable of designing DNA computer organization and architecture.

ORIGEN-based Nuclear Fuel Inventory Module for Fuel Cycle Assessment: Final Project Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skutnik, Steven E.

The goal of this project, “ORIGEN-based Nuclear Fuel Depletion Module for Fuel Cycle Assessment" is to create a physics-based reactor depletion and decay module for the Cyclus nuclear fuel cycle simulator in order to assess nuclear fuel inventories over a broad space of reactor operating conditions. The overall goal of this approach is to facilitate evaluations of nuclear fuel inventories for a broad space of scenarios, including extended used nuclear fuel storage and cascading impacts on fuel cycle options such as actinide recovery in used nuclear fuel, particularly for multiple recycle scenarios. The advantages of a physics-based approach (compared tomore » a recipe-based approach which has been typically employed for fuel cycle simulators) is in its inherent flexibility; such an approach can more readily accommodate the broad space of potential isotopic vectors that may be encountered under advanced fuel cycle options. In order to develop this flexible reactor analysis capability, we are leveraging the Origen nuclear fuel depletion and decay module from SCALE to produce a standalone “depletion engine” which will serve as the kernel of a Cyclus-based reactor analysis module. The ORIGEN depletion module is a rigorously benchmarked and extensively validated tool for nuclear fuel analysis and thus its incorporation into the Cyclus framework can bring these capabilities to bear on the problem of evaluating long-term impacts of fuel cycle option choices on relevant metrics of interest, including materials inventories and availability (for multiple recycle scenarios), long-term waste management and repository impacts, etc. Developing this Origen-based analysis capability for Cyclus requires the refinement of the Origen analysis sequence to the point where it can reasonably be compiled as a standalone sequence outside of SCALE; i.e., wherein all of the computational aspects of Origen (including reactor cross-section library processing and interpolation, input and output processing, and depletion/decay solvers) can be self-contained into a single executable sequence. Further, to embed this capability into other software environments (such as the Cyclus fuel cycle simulator) requires that Origen’s capabilities be encapsulated into a portable, self-contained library which other codes can then call directly through function calls, thereby directly accessing the solver and data processing capabilities of Origen. Additional components relevant to this work include modernization of the reactor data libraries used by Origen for conducting nuclear fuel depletion calculations. This work has included the development of new fuel assembly lattices not previously available (such as for CANDU heavy-water reactor assemblies) as well as validation of updated lattices for light-water reactors updated to employ modern nuclear data evaluations. The CyBORG reactor analysis module as-developed under this workscope is fully capable of dynamic calculation of depleted fuel compositions from all commercial U.S. reactor assembly types as well as a number of international fuel types, including MOX, VVER, MAGNOX, and PHWR CANDU fuel assemblies. In addition, the Origen-based depletion engine allows for CyBORG to evaluate novel fuel assembly and reactor design types via creation of Origen reactor data libraries via SCALE. The establishment of this new modeling capability affords fuel cycle modelers a substantially improved ability to model dynamically-changing fuel cycle and reactor conditions, including recycled fuel compositions from fuel cycle scenarios involving material recycle into thermal-spectrum systems.« less

Computed Tomography Measuring Inside Machines

NASA Technical Reports Server (NTRS)

Wozniak, James F.; Scudder, Henry J.; Anders, Jeffrey E.

1995-01-01

Computed tomography applied to obtain approximate measurements of radial distances from centerline of turbopump to leading edges of diffuser vanes in turbopump. Use of computed tomography has significance beyond turbopump application: example of general concept of measuring internal dimensions of assembly of parts without having to perform time-consuming task of taking assembly apart and measuring internal parts on coordinate-measuring machine.

Validation of the new code package APOLLO2.8 for accurate PWR neutronics calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santamarina, A.; Bernard, D.; Blaise, P.

2013-07-01

This paper summarizes the Qualification work performed to demonstrate the accuracy of the new APOLLO2.S/SHEM-MOC package based on JEFF3.1.1 nuclear data file for the prediction of PWR neutronics parameters. This experimental validation is based on PWR mock-up critical experiments performed in the EOLE/MINERVE zero-power reactors and on P.I. Es on spent fuel assemblies from the French PWRs. The Calculation-Experiment comparison for the main design parameters is presented: reactivity of UOX and MOX lattices, depletion calculation and fuel inventory, reactivity loss with burnup, pin-by-pin power maps, Doppler coefficient, Moderator Temperature Coefficient, Void coefficient, UO{sub 2}-Gd{sub 2}O{sub 3} poisoning worth, Efficiency ofmore » Ag-In-Cd and B4C control rods, Reflector Saving for both standard 2-cm baffle and GEN3 advanced thick SS reflector. From this qualification process, calculation biases and associated uncertainties are derived. This code package APOLLO2.8 is already implemented in the ARCADIA new AREVA calculation chain for core physics and is currently under implementation in the future neutronics package of the French utility Electricite de France. (authors)« less

Oxygen diffusion model of the mixed (U,Pu)O2 ± x: Assessment and application

NASA Astrophysics Data System (ADS)

Moore, Emily; Guéneau, Christine; Crocombette, Jean-Paul

2017-03-01

The uranium-plutonium (U,Pu)O2 ± x mixed oxide (MOX) is used as a nuclear fuel in some light water reactors and considered for future reactor generations. To gain insight into fuel restructuring, which occurs during the fuel lifetime as well as possible accident scenarios understanding of the thermodynamic and kinetic behavior is crucial. A comprehensive evaluation of thermo-kinetic properties is incorporated in a computational CALPHAD type model. The present DICTRA based model describes oxygen diffusion across the whole range of plutonium, uranium and oxygen compositions and temperatures by incorporating vacancy and interstitial migration pathways for oxygen. The self and chemical diffusion coefficients are assessed for the binary UO2 ± x and PuO2 - x systems and the description is extended to the ternary mixed oxide (U,Pu)O2 ± x by extrapolation. A simulation to validate the applicability of this model is considered.

Theoretical analysis of uranium-doped thorium dioxide: Introduction of a thoria force field with explicit polarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shields, A. E.; Ruiz Hernandez, S. E.; Leeuw, N. H. de, E-mail: DeLeeuwN@Cardiff.ac.uk

2015-08-15

Thorium dioxide is used industrially in high temperature applications, but more insight is needed into the behavior of the material as part of a mixed-oxide (MOX) nuclear fuel, incorporating uranium. We have developed a new interatomic potential model including polarizability via a shell model, and commensurate with a prominent existing UO{sub 2} potential, to conduct configurational analyses and to investigate the thermophysical properties of uranium-doped ThO{sub 2}. Using the GULP and Site Occupancy Disorder (SOD) computational codes, we have analyzed the distribution of low concentrations of uranium in the bulk material, where we have not observed the formation of uraniummore » clusters or the dominance of a single preferred configuration. We have calculated thermophysical properties of pure thorium dioxide and Th{sub (1−x)}U{sub x}O{sub 2} which generated values in very good agreement with experimental data.« less

Computational and theoretical modeling of pH and flow effects on the early-stage non-equilibrium self-assembly of optoelectronic peptides

NASA Astrophysics Data System (ADS)

Mansbach, Rachael; Ferguson, Andrew

Self-assembling π-conjugated peptides are attractive candidates for the fabrication of bioelectronic materials possessing optoelectronic properties due to electron delocalization over the conjugated peptide groups. We present a computational and theoretical study of an experimentally-realized optoelectronic peptide that displays triggerable assembly in low pH to resolve the microscopic effects of flow and pH on the non-equilibrium morphology and kinetics of assembly. Using a combination of molecular dynamics simulations and hydrodynamic modeling, we quantify the time and length scales at which convective flows employed in directed assembly compete with microscopic diffusion to influence assembly. We also show that there is a critical pH below which aggregation proceeds irreversibly, and quantify the relationship between pH, charge density, and aggregate size. Our work provides new fundamental understanding of pH and flow of non-equilibrium π-conjugated peptide assembly, and lays the groundwork for the rational manipulation of environmental conditions and peptide chemistry to control assembly and the attendant emergent optoelectronic properties. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award # DE-SC0011847, and by the Computational Science and Engineering Fellowship from the University of Illinois at Urbana-Champaign.

A computer-oriented system for assembling and displaying land management information

Treesearch

Elliot L. Amidon

1964-01-01

Maps contain information basic to land management planning. By transforming conventional map symbols into numbers which are punched into cards, the land manager can have a computer assemble and display information required for a specific job. He can let a computer select information from several maps, combine it with such nonmap data as treatment cost or benefit per...

Computational path planner for product assembly in complex environments

NASA Astrophysics Data System (ADS)

Shang, Wei; Liu, Jianhua; Ning, Ruxin; Liu, Mi

2013-03-01

Assembly path planning is a crucial problem in assembly related design and manufacturing processes. Sampling based motion planning algorithms are used for computational assembly path planning. However, the performance of such algorithms may degrade much in environments with complex product structure, narrow passages or other challenging scenarios. A computational path planner for automatic assembly path planning in complex 3D environments is presented. The global planning process is divided into three phases based on the environment and specific algorithms are proposed and utilized in each phase to solve the challenging issues. A novel ray test based stochastic collision detection method is proposed to evaluate the intersection between two polyhedral objects. This method avoids fake collisions in conventional methods and degrades the geometric constraint when a part has to be removed with surface contact with other parts. A refined history based rapidly-exploring random tree (RRT) algorithm which bias the growth of the tree based on its planning history is proposed and employed in the planning phase where the path is simple but the space is highly constrained. A novel adaptive RRT algorithm is developed for the path planning problem with challenging scenarios and uncertain environment. With extending values assigned on each tree node and extending schemes applied, the tree can adapts its growth to explore complex environments more efficiently. Experiments on the key algorithms are carried out and comparisons are made between the conventional path planning algorithms and the presented ones. The comparing results show that based on the proposed algorithms, the path planner can compute assembly path in challenging complex environments more efficiently and with higher success. This research provides the references to the study of computational assembly path planning under complex environments.

First-principles simulation on thermoelectric propertiesof transition metal dichalcogenide monolayers

NASA Astrophysics Data System (ADS)

Nakamura, Koichi

2018-06-01

Thermoelectric properties of transition metal dichalcogenide (TMDC) monolayer models, such as Seebeck coefficient and lattice heat capacity, were simulated on the basis of first-principles calculations. The calculated Seebeck coefficients are appropriate for the thermoelectric element of all the TMDC monolayer models introduced in this study. In the MoX2/WX2 (X = S, Se, and Te) heterojunction structure, carrier electrons and holes are respectively distributed in the MoX2 and WX2 regions by adopting a common Fermi energy for both electronic structures. In particular, in the X = Te case, the practical carrier concentration with a large Seebeck coefficient can be evaluated without doping. The lattice heat capacities and their temperature dependence tendencies can be classified on the basis of the minimum frequencies of the optical modes. The quotient of the lattice thermal conductivity over the phonon relaxation time gives the temperature-independent specific values according to the kind of TMDC monolayer.

Enhanced efficiency of luminescence with stoichiometry control in LiGd(W(1-x)MoxO4)2:Eu3+ red phosphors

NASA Astrophysics Data System (ADS)

Kavi Rasu, K.; Balaji, D.; Moorthy Babu, S.

2017-06-01

A series of LiGd(W(1-x)MoxO4)2 [hereafter LGWM]:Eu3+(x=0.00 to 1.00) red-emitting phosphors were synthesized by sol-gel method. Metal nitrates were used as starting materials with citric acid as chelator and ethylene glycol as binder. Synthesized gel was pre-fired at 523 K and calcined at 1073 K using resistive furnace in air atmosphere. The crystallinity, surface morphology and luminescent properties of the phosphors were investigated using powder X-ray diffraction (XRD), scanning electron microscope (SEM) and fluorescence spectrophotometry respectively. The intensity of the red emission at 615 nm for 5D0→7F2 electric dipole transition increases as the content of Mo6+ was increased and reach a maximum, when the relative ratio of W/Mo is 1:1 under 396 nm excitation.

High-Temperature Oxidation of Plutonium Surrogate Metals and Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sparks, Joshua C.; Krantz, Kelsie E.; Christian, Jonathan H.

The Plutonium Management and Disposition Agreement (PMDA) is a nuclear non-proliferation agreement designed to remove 34 tons of weapons-grade plutonium from Russia and the United States. While several removal options have been proposed since the agreement was first signed in 2000, processing the weapons-grade plutonium to mixed-oxide (MOX) fuel has remained the leading candidate for achieving the goals of the PMDA. However, the MOX program has received its share of criticisms, which causes its future to be uncertain. One alternative pathway for plutonium disposition would involve oxidizing the metal followed by impurity down blending and burial in the Waste Isolationmore » Pilot Plant (WIPP) in Carlsbad, New Mexico. This pathway was investigated by use of a hybrid microwave and a muffle furnace with Fe and Al as surrogate materials. Oxidation occurred similarly in the microwave and muffle furnace; however, the microwave process time was significantly faster.« less

Comparing memory-efficient genome assemblers on stand-alone and cloud infrastructures.

PubMed

Kleftogiannis, Dimitrios; Kalnis, Panos; Bajic, Vladimir B

2013-01-01

A fundamental problem in bioinformatics is genome assembly. Next-generation sequencing (NGS) technologies produce large volumes of fragmented genome reads, which require large amounts of memory to assemble the complete genome efficiently. With recent improvements in DNA sequencing technologies, it is expected that the memory footprint required for the assembly process will increase dramatically and will emerge as a limiting factor in processing widely available NGS-generated reads. In this report, we compare current memory-efficient techniques for genome assembly with respect to quality, memory consumption and execution time. Our experiments prove that it is possible to generate draft assemblies of reasonable quality on conventional multi-purpose computers with very limited available memory by choosing suitable assembly methods. Our study reveals the minimum memory requirements for different assembly programs even when data volume exceeds memory capacity by orders of magnitude. By combining existing methodologies, we propose two general assembly strategies that can improve short-read assembly approaches and result in reduction of the memory footprint. Finally, we discuss the possibility of utilizing cloud infrastructures for genome assembly and we comment on some findings regarding suitable computational resources for assembly.

MIADS2 ... an alphanumeric map information assembly and display system for a large computer

Treesearch

Elliot L. Amidon

1966-01-01

A major improvement and extension of the Map Information Assembly and Display System (MIADS) developed in 1964 is described. Basic principles remain unchanged, but the computer programs have been expanded and rewritten for a large computer, in Fortran IV and MAP languages. The code system is extended from 99 integers to about 2,200 alphanumeric 2-character codes. Hand-...

Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE PAGES

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.; ...

2016-12-08

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less

Computational design of a homotrimeric metalloprotein with a trisbipyridyl core

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mills, Jeremy H.; Sheffler, William; Ener, Maraia E.

Metal-chelating heteroaryl small molecules have found widespread use as building blocks for coordination-driven, self-assembling nanostructures. The metal-chelating noncanonical amino acid (2,2'-bipyridin-5yl)alanine (Bpy-ala) could, in principle, be used to nucleate specific metalloprotein assemblies if introduced into proteins such that one assembly had much lower free energy than all alternatives. Here in this paper, we describe the use of the Rosetta computational methodology to design a self-assembling homotrimeric protein with [Fe(Bpy-ala) 3] 2+ complexes at the interface between monomers. X-ray crystallographic analysis of the homotrimer showed that the design process had near-atomic-level accuracy: The all-atom rmsd between the design model and crystalmore » structure for the residues at the protein interface is ~1.4 Å. These results demonstrate that computational protein design together with genetically encoded noncanonical amino acids can be used to drive formation of precisely specified metal-mediated protein assemblies that could find use in a wide range of photophysical applications.« less

Programming Enzyme-Initiated Autonomous DNAzyme Nanodevices in Living Cells.

PubMed

Chen, Feng; Bai, Min; Cao, Ke; Zhao, Yue; Cao, Xiaowen; Wei, Jing; Wu, Na; Li, Jiang; Wang, Lihua; Fan, Chunhai; Zhao, Yongxi

2017-12-26

Molecular nanodevices are computational assemblers that switch defined states upon external stimulation. However, interfacing artificial nanodevices with natural molecular machineries in living cells remains a great challenge. Here, we delineate a generic method for programming assembly of enzyme-initiated DNAzyme nanodevices (DzNanos). Two programs including split assembly of two partzymes and toehold exchange displacement assembly of one intact DNAzyme initiated by telomerase are computed. The intact one obtains higher assembly yield and catalytic performance ascribed to proper conformation folding and active misplaced assembly. By employing MnO 2 nanosheets as both DNA carriers and source of Mn 2+ as DNAzyme cofactor, we find that this DzNano is well assembled via a series of conformational states in living cells and operates autonomously with sustained cleavage activity. Other enzymes can also induce corresponding DzNano assembly with defined programming modules. These DzNanos not only can monitor enzyme catalysis in situ but also will enable the implementation of cellular stages, behaviors, and pathways for basic science, diagnostic, and therapeutic applications as genetic circuits.

Sulforaphane Inhibits Lipopolysaccharide-Induced Inflammation, Cytotoxicity, Oxidative Stress, and miR-155 Expression and Switches to Mox Phenotype through Activating Extracellular Signal-Regulated Kinase 1/2-Nuclear Factor Erythroid 2-Related Factor 2/Antioxidant Response Element Pathway in Murine Microglial Cells.

PubMed

Eren, Erden; Tufekci, Kemal Ugur; Isci, Kamer Burak; Tastan, Bora; Genc, Kursad; Genc, Sermin

2018-01-01

Sulforaphane (SFN) is a natural product with cytoprotective, anti-inflammatory, and antioxidant effects. In this study, we evaluated the mechanisms of its effects on lipopolysaccharide (LPS)-induced cell death, inflammation, oxidative stress, and polarization in murine microglia. We found that SFN protects N9 microglial cells upon LPS-induced cell death and suppresses LPS-induced levels of secreted pro-inflammatory cytokines, tumor necrosis factor-alpha, interleukin-1 beta, and interleukin-6. SFN is also a potent inducer of redox sensitive transcription factor, nuclear factor erythroid 2-related factor 2 (Nrf2), which is responsible for the transcription of antioxidant, cytoprotective, and anti-inflammatory genes. SFN induced translocation of Nrf2 to the nucleus via extracellular signal-regulated kinase 1/2 (ERK1/2) pathway activation. siRNA-mediated knockdown study showed that the effects of SFN on LPS-induced reactive oxygen species, reactive nitrogen species, and pro-inflammatory cytokine production and cell death are partly Nrf2 dependent. Mox phenotype is a novel microglial phenotype that has roles in oxidative stress responses. Our results suggested that SFN induced the Mox phenotype in murine microglia through Nrf2 pathway. SFN also alleviated LPS-induced expression of inflammatory microRNA, miR-155. Finally, SFN inhibits microglia-mediated neurotoxicity as demonstrated by conditioned medium and co-culture experiments. In conclusion, SFN exerts protective effects on microglia and modulates the microglial activation state.

Sulforaphane Inhibits Lipopolysaccharide-Induced Inflammation, Cytotoxicity, Oxidative Stress, and miR-155 Expression and Switches to Mox Phenotype through Activating Extracellular Signal-Regulated Kinase 1/2–Nuclear Factor Erythroid 2-Related Factor 2/Antioxidant Response Element Pathway in Murine Microglial Cells

PubMed Central

Eren, Erden; Tufekci, Kemal Ugur; Isci, Kamer Burak; Tastan, Bora; Genc, Kursad; Genc, Sermin

2018-01-01

Sulforaphane (SFN) is a natural product with cytoprotective, anti-inflammatory, and antioxidant effects. In this study, we evaluated the mechanisms of its effects on lipopolysaccharide (LPS)-induced cell death, inflammation, oxidative stress, and polarization in murine microglia. We found that SFN protects N9 microglial cells upon LPS-induced cell death and suppresses LPS-induced levels of secreted pro-inflammatory cytokines, tumor necrosis factor-alpha, interleukin-1 beta, and interleukin-6. SFN is also a potent inducer of redox sensitive transcription factor, nuclear factor erythroid 2-related factor 2 (Nrf2), which is responsible for the transcription of antioxidant, cytoprotective, and anti-inflammatory genes. SFN induced translocation of Nrf2 to the nucleus via extracellular signal-regulated kinase 1/2 (ERK1/2) pathway activation. siRNA-mediated knockdown study showed that the effects of SFN on LPS-induced reactive oxygen species, reactive nitrogen species, and pro-inflammatory cytokine production and cell death are partly Nrf2 dependent. Mox phenotype is a novel microglial phenotype that has roles in oxidative stress responses. Our results suggested that SFN induced the Mox phenotype in murine microglia through Nrf2 pathway. SFN also alleviated LPS-induced expression of inflammatory microRNA, miR-155. Finally, SFN inhibits microglia-mediated neurotoxicity as demonstrated by conditioned medium and co-culture experiments. In conclusion, SFN exerts protective effects on microglia and modulates the microglial activation state. PMID:29410668

Remarkable support effect on the reactivity of Pt/In2O3/MOx catalysts for methanol steam reforming

NASA Astrophysics Data System (ADS)

Liu, Xin; Men, Yong; Wang, Jinguo; He, Rong; Wang, Yuanqiang

2017-10-01

Effects of supports over Pt/In2O3/MOx catalysts with extremely low loading of Pt (1 wt%) and In2O3 loadings (3 wt%) are investigated for the hydrogen production of methanol steam reforming (MSR) in the temperature range of 250-400 °C. Under practical conditions without the pre-reduction, the 1Pt/3In2O3/CeO2 catalyst shows the highly efficient catalytic performance, achieving almost complete methanol conversion (98.7%) and very low CO selectivity of 2.6% at 325 °C. The supported Pt/In2O3 catalysts are characterized by means of Brunauer-Emmett-Teller (BET) surface area, X-ray diffraction (XRD), high-resolution transmission microscopy (HRTEM), temperature programmed reduction with hydrogen (H2-TPR), CO pulse chemisorption, temperature programmed desorption of methanol and water (CH3OH-TPD and H2O-TPD). These demonstrate that the nature of catalyst support of Pt/In2O3/MOx plays crucial roles in the Pt dispersion associated by the strong interaction among Pt, In2O3 and supporting materials and the surface redox properties at low temperature, and thus affects their capability to activate the reactants and determines the catalytic activity of methanol steam reforming. The superior 1Pt/3In2O3/CeO2 catalyst, exhibiting a remarkable reactivity and stability for 32 h on stream, demonstrates its potential for efficient hydrogen production of methanol steam reforming in mobile and de-centralized H2-fueled PEMFC systems.

Increased retention of americium in kidneys as compared with plutonium in an actinide wound contamination model in the rat.

PubMed

Griffiths, Nina M; Coudert, Sylvie; Molina, Thibaut; Wilk, Jean-Claude; Renault, Daniel; Berard, Philippe; Van der Meeren, Anne

2014-11-01

Americium-241 ((241)Am) presents a potential risk for nuclear industry workers associated with reactor decommissioning and aging combustible materials. The purpose of this study was to investigate Am renal retention after actinide contamination by wounding in the rat. Anesthetized rats were contaminated with Mixed Oxide (MOX) (7.1% Plutonium [Pu] by mass and containing 27% Am as % total alpha activity), Pu or Am nitrate following an incision wound of the hind leg. Times of euthanasia ranged from 2 hours to 5 months after contamination. Pu and Am levels were quantified following radiochemistry and alpha-spectrophotometry. Initial data show that over the experimental period the proportion of Am in kidneys as a fraction of total kidney alpha activity was elevated as compared to MOX powder indicating a specific retention in this organ. The percentage of Pu was similar to the powder. After MOX contamination, kidney to liver ratios appeared to increase more markedly for Am (from 0.2 at 7 days to 0.6 at 90 days) as compared with Pu (0.1 at 7 days to 0.2 at 90 days). In accordance with tissue actinide retention the dose from Am to the kidney increases with time. For comparison, the ratio of estimated equivalent doses due to Am to kidney is 1.5-fold greater than for Pu (around 90 versus 60 mSv). After actinide contamination of wounds, Am is concentrated in the kidneys as compared to Pu leading to potential exposure of renal tissue to both alpha particles and gamma radiation.

Development of an integrated, unattended assay system for LWR-MOX fuel pellet trays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stewart, J.E.; Hatcher, C.R.; Pollat, L.L.

1994-08-01

Four identical unattended plutonium assay systems have been developed for use at the new light-water-reactor mixed oxide (LWR-MOX) fuel fabrication facility at Hanau, Germany. The systems provide quantitative plutonium verification for all MOX pellet trays entering or leaving a large, intermediate store. Pellet-tray transport and storage systems are highly automated. Data from the ``I-Point`` (information point) assay systems will be shared by the Euratom and International Atomic Energy Agency (IAEA) Inspectorates. The I-Point system integrates, for the first time, passive neutron coincidence counting (NCC) with electro-mechanical sensing (EMS) in unattended mode. Also, provisions have been made for adding high-resolution gammamore » spectroscopy. The system accumulates data for every tray entering or leaving the store between inspector visits. During an inspection, data are analyzed and compared with operator declarations for the previous inspection period, nominally one month. Specification of the I-point system resulted from a collaboration between the IAEA, Euratom, Siemens, and Los Alamos. Hardware was developed by Siemens and Los Alamos through a bilateral agreement between the German Federal Ministry of Research and Technology (BMFT) and the US DOE. Siemens also provided the EMS subsystem, including software. Through the USSupport Program to the IAEA, Los Alamos developed the NCC software (NCC COLLECT) and also the software for merging and reviewing the EMS and NCC data (MERGE/REVIEW). This paper describes the overall I-Point system, but emphasizes the NCC subsystem, along with the NCC COLLECT and MERGE/REVIEW codes. We also summarize comprehensive testing results that define the quality of assay performance.« less

Gamma scintigraphic study of the hydrodynamically balanced matrix tablets of Metformin HCl in rabbits

PubMed Central

Razavi, Mahboubeh; Karimian, Hamed; Yeong, Chai Hong; Sarji, Sazilah Ahmad; Chung, Lip Yong; Nyamathulla, Shaik; Noordin, Mohamed Ibrahim

2015-01-01

The purpose of this study is to evaluate the in vitro and in vivo performance of gastro-retentive matrix tablets having Metformin HCl as model drug and combination of natural polymers. A total of 16 formulations were prepared by a wet granulation method using xanthan, tamarind seed powder, tamarind kernel powder and salep as the gel-forming agents and sodium bicarbonate as a gas-forming agent. All the formulations were evaluated for compendial and non-compendial tests and in vitro study was carried out on a USP-II dissolution apparatus at a paddle speed of 50 rpm. MOX2 formulation, composed of salep and xanthan in the ratio of 4:1 with 96.9% release, was considered as the optimum formulation with more than 90% release in 12 hours and short floating lag time. In vivo study was carried out using gamma scintigraphy in New Zealand White rabbits, optimized formulation was incorporated with 10 mg of 153Sm for labeling MOX2 formulation. The radioactive samarium oxide was used as the marker to trace transit of the tablets in the gastrointestinal tract. The in vivo data also supported retention of MOX2 formulation in the gastric region for 12 hours and were different from the control formulation without a gas and gel forming agent. It was concluded that the prepared floating gastro-retentive matrix tablets had a sustained-release effect in vitro and in vivo, gamma scintigraphy played an important role in locating the oral transit and the drug-release pattern. PMID:26124637

PHASE EVOLUTION AND MICROWAVE DIELECTRIC PROPERTIES OF (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) CERAMICS WITH ULTRA-LOW SINTERING TEMPERATURES

NASA Astrophysics Data System (ADS)

Zhou, Di; Guo, Jing; Yao, Xi; Pang, Li-Xia; Qi, Ze-Ming; Shao, Tao

2012-11-01

The (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) ceramics were prepared via the solid state reaction method. The sintering temperature decreased almost linearly from 755°C for (Li0.5Bi0.5)WO4 to 560°C for (Li0.5Bi0.5)MoO4. When the x≤0.3, a wolframite solid solution can be formed. For x = 0.4 and x = 0.6 compositions, both the wolframite and scheelite phases can be formed from the X-ray diffraction analysis, while two different kinds of grains can be revealed from the scanning electron microscopy and energy-dispersive X-ray spectrometer results. High performance of microwave dielectric properties were obtained in the (Li0.5Bi0.5)(W0.6Mo0.4)O4 ceramic sintered at 620°C with a relative permittivity of 31.5, a Qf value of 8500 GHz (at 8.2 GHz), and a temperature coefficient value of +20 ppm/°C. Complex dielectric spectra of pure (Li0.5Bi0.5)WO4 ceramic gained from the infrared spectra were extrapolated down to microwave range, and they were in good agreement with the measured values. The (Li0.5Bi0.5)(W1-xMox)O4(0.0 ≤ x ≤ 1.0) ceramics might be promising for low temperature co-fired ceramic technology.

Waste Estimates for a Future Recycling Plant in the US Based Upon AREVA Operating Experience - 13206

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foare, Genevieve; Meze, Florian; Bader, Sven

2013-07-01

Estimates of process and secondary wastes produced by a recycling plant built in the U.S., which is composed of a used nuclear fuel (UNF) reprocessing facility and a mixed oxide (MOX) fuel fabrication facility, are performed as part of a U.S. Department of Energy (DOE) sponsored study [1]. In this study, a set of common inputs, assumptions, and constraints were identified to allow for comparison of these wastes between different industrial teams. AREVA produced a model of a reprocessing facility, an associated fuel fabrication facility, and waste treatment facilities to develop the results for this study. These facilities were dividedmore » into a number of discrete functional areas for which inlet and outlet flow streams were clearly identified to allow for an accurate determination of the radionuclide balance throughout the facility and the waste streams. AREVA relied primarily on its decades of experience and feedback from its La Hague (reprocessing) and MELOX (MOX fuel fabrication) commercial operating facilities in France to support this assessment. However, to perform these estimates for a U.S. facility with different regulatory requirements and to take advantage of some technological advancements, such as in the potential treatment of off-gases, some deviations from this experience were necessary. A summary of AREVA's approach and results for the recycling of 800 metric tonnes of initial heavy metal (MTIHM) of LWR UNF per year into MOX fuel under the assumptions and constraints identified for this DOE study are presented. (authors)« less

Analysis of perfusion, microcirculation and drug transport in tumors. A computational study.

NASA Astrophysics Data System (ADS)

Zunino, Paolo; Cattaneo, Laura

2013-11-01

We address blood flow through a network of capillaries surrounded by a porous interstitium. We develop a computational model based on the Immersed Boundary method [C. S. Peskin. Acta Numer. 2002.]. The advantage of such an approach relies in its efficiency, because it does not need a full description of the real geometry allowing for a large economy of memory and CPU time and it facilitates handling fully realistic vascular networks [L. Cattaneo and P. Zunino. Technical report, MOX, Department of Mathematics, Politecnico di Milano, 2013.]. The analysis of perfusion and drug release in vascularized tumors is a relevant application of such techniques. Blood vessels in tumors are substantially leakier than in healthy tissue and they are tortuous. These vascular abnormalities lead to an impaired blood supply and abnormal tumor microenvironment characterized by hypoxia and elevated interstitial fluid pressure that reduces the distribution of drugs through advection [L.T. Baxter and R.K. Jain. Microvascular Research, 1989]. Finally, we discuss the application of the model to deliver nanoparticles. In particular, transport of nanoparticles in the vessels network, their adhesion to the vessel wall and the drug release in the surrounding tissue will be addressed.

Assembly of large metagenome data sets using a Convey HC-1 hybrid core computer (7th Annual SFAF Meeting, 2012)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Copeland, Alex

2012-06-01

Alex Copeland on "Assembly of large metagenome data sets using a Convey HC-1 hybrid core computer" at the 2012 Sequencing, Finishing, Analysis in the Future Meeting held June 5-7, 2012 in Santa Fe, New Mexico.

19 CFR 10.14 - Fabricated components subject to the exemption.

Code of Federal Regulations, 2012 CFR

2012-04-01

....14 Section 10.14 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY... assembly for a computer is assembled in the United States by soldering American-made and foreign-made... electronic function and is ready for incorporation into the computer. The foreign-made components have...

19 CFR 10.14 - Fabricated components subject to the exemption.

Code of Federal Regulations, 2014 CFR

2014-04-01

....14 Section 10.14 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY... assembly for a computer is assembled in the United States by soldering American-made and foreign-made... electronic function and is ready for incorporation into the computer. The foreign-made components have...

19 CFR 10.14 - Fabricated components subject to the exemption.

Code of Federal Regulations, 2013 CFR

2013-04-01

....14 Section 10.14 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY... assembly for a computer is assembled in the United States by soldering American-made and foreign-made... electronic function and is ready for incorporation into the computer. The foreign-made components have...

19 CFR 10.14 - Fabricated components subject to the exemption.

Code of Federal Regulations, 2011 CFR

2011-04-01

....14 Section 10.14 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY... assembly for a computer is assembled in the United States by soldering American-made and foreign-made... electronic function and is ready for incorporation into the computer. The foreign-made components have...

Computer Aided Tests.

ERIC Educational Resources Information Center

Steinke, Elisabeth

An approach to using the computer to assemble German tests is described. The purposes of the system would be: (1) an expansion of the bilingual lexical memory bank to list and store idioms of all degrees of difficulty, with frequency data and with complete and sophisticated retrieval possibility for assembly; (2) the creation of an…

Assembly of large metagenome data sets using a Convey HC-1 hybrid core computer (7th Annual SFAF Meeting, 2012)

ScienceCinema

Copeland, Alex [DOE JGI

2017-12-09

Alex Copeland on "Assembly of large metagenome data sets using a Convey HC-1 hybrid core computer" at the 2012 Sequencing, Finishing, Analysis in the Future Meeting held June 5-7, 2012 in Santa Fe, New Mexico.

Discrete State Change Model of Manufacturing Quality to Aid Assembly Process Design

NASA Astrophysics Data System (ADS)

Koga, Tsuyoshi; Aoyama, Kazuhiro

This paper proposes a representation model of the quality state change in an assembly process that can be used in a computer-aided process design system. In order to formalize the state change of the manufacturing quality in the assembly process, the functions, operations, and quality changes in the assembly process are represented as a network model that can simulate discrete events. This paper also develops a design method for the assembly process. The design method calculates the space of quality state change and outputs a better assembly process (better operations and better sequences) that can be used to obtain the intended quality state of the final product. A computational redesigning algorithm of the assembly process that considers the manufacturing quality is developed. The proposed method can be used to design an improved manufacturing process by simulating the quality state change. A prototype system for planning an assembly process is implemented and applied to the design of an auto-breaker assembly process. The result of the design example indicates that the proposed assembly process planning method outputs a better manufacturing scenario based on the simulation of the quality state change.

Toward a molecular programming language for algorithmic self-assembly

NASA Astrophysics Data System (ADS)

Patitz, Matthew John

Self-assembly is the process whereby relatively simple components autonomously combine to form more complex objects. Nature exhibits self-assembly to form everything from microscopic crystals to living cells to galaxies. With a desire to both form increasingly sophisticated products and to understand the basic components of living systems, scientists have developed and studied artificial self-assembling systems. One such framework is the Tile Assembly Model introduced by Erik Winfree in 1998. In this model, simple two-dimensional square 'tiles' are designed so that they self-assemble into desired shapes. The work in this thesis consists of a series of results which build toward the future goal of designing an abstracted, high-level programming language for designing the molecular components of self-assembling systems which can perform powerful computations and form into intricate structures. The first two sets of results demonstrate self-assembling systems which perform infinite series of computations that characterize computably enumerable and decidable languages, and exhibit tools for algorithmically generating the necessary sets of tiles. In the next chapter, methods for generating tile sets which self-assemble into complicated shapes, namely a class of discrete self-similar fractal structures, are presented. Next, a software package for graphically designing tile sets, simulating their self-assembly, and debugging designed systems is discussed. Finally, a high-level programming language which abstracts much of the complexity and tedium of designing such systems, while preventing many of the common errors, is presented. The summation of this body of work presents a broad coverage of the spectrum of desired outputs from artificial self-assembling systems and a progression in the sophistication of tools used to design them. By creating a broader and deeper set of modular tools for designing self-assembling systems, we hope to increase the complexity which is attainable. These tools provide a solid foundation for future work in both the Tile Assembly Model and explorations into more advanced models.

Fuel Cycle System Analysis Handbook

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steven J. Piet; Brent W. Dixon; Dirk Gombert

2009-06-01

This Handbook aims to improve understanding and communication regarding nuclear fuel cycle options. It is intended to assist DOE, Campaign Managers, and other presenters prepare presentations and reports. When looking for information, check here. The Handbook generally includes few details of how calculations were performed, which can be found by consulting references provided to the reader. The Handbook emphasizes results in the form of graphics and diagrams, with only enough text to explain the graphic, to ensure that the messages associated with the graphic is clear, and to explain key assumptions and methods that cause the graphed results. Some ofmore » the material is new and is not found in previous reports, for example: (1) Section 3 has system-level mass flow diagrams for 0-tier (once-through), 1-tier (UOX to CR=0.50 fast reactor), and 2-tier (UOX to MOX-Pu to CR=0.50 fast reactor) scenarios - at both static and dynamic equilibrium. (2) To help inform fast reactor transuranic (TRU) conversion ratio and uranium supply behavior, section 5 provides the sustainable fast reactor growth rate as a function of TRU conversion ratio. (3) To help clarify the difference in recycling Pu, NpPu, NpPuAm, and all-TRU, section 5 provides mass fraction, gamma, and neutron emission for those four cases for MOX, heterogeneous LWR IMF (assemblies mixing IMF and UOX pins), and a CR=0.50 fast reactor. There are data for the first 10 LWR recycle passes and equilibrium. (4) Section 6 provides information on the cycle length, planned and unplanned outages, and TRU enrichment as a function of fast reactor TRU conversion ratio, as well as the dilution of TRU feedstock by uranium in making fast reactor fuel. (The recovered uranium is considered to be more pure than recovered TRU.) The latter parameter impacts the required TRU impurity limits specified by the Fuels Campaign. (5) Section 7 provides flows for an 800-tonne UOX separation plant. (6) To complement 'tornado' economic uncertainty diagrams, which show at a glance combined uncertainty information, section 9.2 has a new set of simpler graphs that show the impact on fuel cycle costs for once through, 1-tier, and 2-tier scenarios as a function of key input parameters.« less

Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy

DOE Office of Scientific and Technical Information (OSTI.GOV)

King, Neil P.; Sheffler, William; Sawaya, Michael R.

2015-09-17

We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the crystal structures of the complexes revealed that the resulting materials closely match the design models. The method canmore » be used to design a wide variety of self-assembling protein nanomaterials.« less

Use of an Automatic Problem Generator to Teach Basic Skills in a First Course in Assembly Language.

ERIC Educational Resources Information Center

Benander, Alan; And Others

1989-01-01

Discussion of the use of computer aided instruction (CAI) and instructional software in college level courses highlights an automatic problem generator, AUTOGEN, that was written for computer science students learning assembly language. Design of the software is explained, and student responses are reported. (nine references) (LRW)

Distributed collaborative response surface method for mechanical dynamic assembly reliability design

NASA Astrophysics Data System (ADS)

Bai, Guangchen; Fei, Chengwei

2013-11-01

Because of the randomness of many impact factors influencing the dynamic assembly relationship of complex machinery, the reliability analysis of dynamic assembly relationship needs to be accomplished considering the randomness from a probabilistic perspective. To improve the accuracy and efficiency of dynamic assembly relationship reliability analysis, the mechanical dynamic assembly reliability(MDAR) theory and a distributed collaborative response surface method(DCRSM) are proposed. The mathematic model of DCRSM is established based on the quadratic response surface function, and verified by the assembly relationship reliability analysis of aeroengine high pressure turbine(HPT) blade-tip radial running clearance(BTRRC). Through the comparison of the DCRSM, traditional response surface method(RSM) and Monte Carlo Method(MCM), the results show that the DCRSM is not able to accomplish the computational task which is impossible for the other methods when the number of simulation is more than 100 000 times, but also the computational precision for the DCRSM is basically consistent with the MCM and improved by 0.40˜4.63% to the RSM, furthermore, the computational efficiency of DCRSM is up to about 188 times of the MCM and 55 times of the RSM under 10000 times simulations. The DCRSM is demonstrated to be a feasible and effective approach for markedly improving the computational efficiency and accuracy of MDAR analysis. Thus, the proposed research provides the promising theory and method for the MDAR design and optimization, and opens a novel research direction of probabilistic analysis for developing the high-performance and high-reliability of aeroengine.

Local rules simulation of the kinetics of virus capsid self-assembly.

PubMed

Schwartz, R; Shor, P W; Prevelige, P E; Berger, B

1998-12-01

A computer model is described for studying the kinetics of the self-assembly of icosahedral viral capsids. Solution of this problem is crucial to an understanding of the viral life cycle, which currently cannot be adequately addressed through laboratory techniques. The abstract simulation model employed to address this is based on the local rules theory of. Proc. Natl. Acad. Sci. USA. 91:7732-7736). It is shown that the principle of local rules, generalized with a model of kinetics and other extensions, can be used to simulate complicated problems in self-assembly. This approach allows for a computationally tractable molecular dynamics-like simulation of coat protein interactions while retaining many relevant features of capsid self-assembly. Three simple simulation experiments are presented to illustrate the use of this model. These show the dependence of growth and malformation rates on the energetics of binding interactions, the tolerance of errors in binding positions, and the concentration of subunits in the examples. These experiments demonstrate a tradeoff within the model between growth rate and fidelity of assembly for the three parameters. A detailed discussion of the computational model is also provided.

75 FR 44819 - Advisory Committee on Reactor Safeguards (ACRS); Meeting of the ACRS Subcommittee on Siting

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-29

...--8:30 a.m. Until 5 p.m. The Subcommittee will review the MOX Fuel Fabrication Facility (Shaw-Areva... presentations by and hold discussions with representatives of the NRC staff, Shaw-Areva, LLC, and other...

The Mars '94 Oxidant Experiment (MOx): Creation of Something From Nothing in 1 Year

NASA Technical Reports Server (NTRS)

Lane, Arthur L.

1994-01-01

The scientific intent of this experiment is to measure the chemical activity of martian soil and atmosphere by examining the activity level of one or more compositionally unknown oxidants inferred from the Viking soil analysis experiments.

Spent nuclear fuel assembly inspection using neutron computed tomography

NASA Astrophysics Data System (ADS)

Pope, Chad Lee

The research presented here focuses on spent nuclear fuel assembly inspection using neutron computed tomography. Experimental measurements involving neutron beam transmission through a spent nuclear fuel assembly serve as benchmark measurements for an MCNP simulation model. Comparison of measured results to simulation results shows good agreement. Generation of tomography images from MCNP tally results was accomplished using adapted versions of built in MATLAB algorithms. Multiple fuel assembly models were examined to provide a broad set of conclusions. Tomography images revealing assembly geometric information including the fuel element lattice structure and missing elements can be obtained using high energy neutrons. A projection difference technique was developed which reveals the substitution of unirradiated fuel elements for irradiated fuel elements, using high energy neutrons. More subtle material differences such as altering the burnup of individual elements can be identified with lower energy neutrons provided the scattered neutron contribution to the image is limited. The research results show that neutron computed tomography can be used to inspect spent nuclear fuel assemblies for the purpose of identifying anomalies such as missing elements or substituted elements. The ability to identify anomalies in spent fuel assemblies can be used to deter diversion of material by increasing the risk of early detection as well as improve reprocessing facility operations by confirming the spent fuel configuration is as expected or allowing segregation if anomalies are detected.

Degradation of fluoroquinolone antibiotics and identification of metabolites/transformation products by liquid chromatography-tandem mass spectrometry.

PubMed

Maia, Alexandra S; Ribeiro, Ana R; Amorim, Catarina L; Barreiro, Juliana C; Cass, Quezia B; Castro, Paula M L; Tiritan, Maria Elizabeth

2014-03-14

Antibiotics are a therapeutic class widely found in environmental matrices and extensively studied due to its persistence and implications for multi-resistant bacteria development. This work presents an integrated approach of analytical multi-techniques on assessing biodegradation of fluorinated antibiotics at a laboratory-scale microcosmos to follow removal and formation of intermediate compounds. Degradation of four fluoroquinolone antibiotics, namely Ofloxacin (OFL), Norfloxacin (NOR), Ciprofloxacin (CPF) and Moxifloxacin (MOX), at 10 mg L(-1) using a mixed bacterial culture, was assessed for 60 days. The assays were followed by a developed and validated analytical method of LC with fluorescence detection (LC-FD) using a Luna Pentafluorophenyl (2) 3 μm column. The validated method demonstrated good selectivity, linearity (r(2)>0.999), intra-day and inter-day precisions (RSD<2.74%) and accuracy. The quantification limits were 5 μg L(-1) for OFL, NOR and CPF and 20 μg L(-1) for MOX. The optimized conditions allowed picturing metabolites/transformation products formation and accumulation during the process, stating an incomplete mineralization, also shown by fluoride release. OFL and MOX presented the highest (98.3%) and the lowest (80.5%) extent of degradation after 19 days of assay, respectively. A representative number of samples was selected and analyzed by LC-MS/MS with triple quadrupole and the molecular formulas were confirmed by a quadruple time of flight analyzer (QqTOF). Most of the intermediates were already described as biodegradation and/or photodegradation products in different conditions; however unknown metabolites were also identified. The microbial consortium, even when exposed to high levels of FQ, presented high percentages of degradation, never reported before for these compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

Pyrazinamidase, CR-MOX agar, salicin fermentation-esculin hydrolysis, and D-xylose fermentation for identifying pathogenic serotypes of Yersinia enterocolitica.

PubMed Central

Farmer, J J; Carter, G P; Miller, V L; Falkow, S; Wachsmuth, I K

1992-01-01

We evaluated several simple laboratory tests that have been used to identify pathogenic serotypes of Yersinia enterocolitica or to indicate the pathogenic potential of individual strains. A total of 100 strains of Y. enterocolitica were studied, including 25 isolated during five outbreak investigations, 63 from sporadic cases, and 12 from stock cultures. The pyrazinamidase test, which does not depend on the Yersinia virulence plasmid, correctly identified 60 of 63 (95% sensitivity) strains of pathogenic serotypes and 34 of 37 (92% specificity) strains of nonpathogenic serotypes. Salicin fermentation-esculin hydrolysis (25 degrees C, 48 h) correctly identified all 63 (100% sensitivity) strains of the pathogenic serotypes and 34 of 37 (92% specificity) strains of the nonpathogenic serotypes. The results of the pyrazinamidase and salicin-esculin tests disagreed for only 7 of the 100 strains of Y. enterocolitica, and these would require additional testing. Congo red-magnesium oxalate (CR-MOX) agar determines Congo red dye uptake and calcium-dependent growth at 36 degrees C, and small red colonies are present only if the strain contains the Yersinia virulence plasmid. This test has proven to be extremely useful for freshly isolated cultures, but only 15 of 62 strains of pathogenic serotypes that had been stored for 1 to 10 years were CR-MOX positive. None of the 16 strains of Y. enterocolitica serotype O3 fermented D-xylose, so this test easily differentiated strains of this serotype, which now appears to be the most common in the United States. Although antisera that can actually be used to serotype strains of Y. enterocolitica are not readily available, the four simple tests described above can be used to screen for pathogenic serotypes. Images PMID:1400958

Towards the reanalysis of void coefficients measurements at proteus for high conversion light water reactor lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hursin, M.; Koeberl, O.; Perret, G.

2012-07-01

High Conversion Light Water Reactors (HCLWR) allows a better usage of fuel resources thanks to a higher breeding ratio than standard LWR. Their uses together with the current fleet of LWR constitute a fuel cycle thoroughly studied in Japan and the US today. However, one of the issues related to HCLWR is their void reactivity coefficient (VRC), which can be positive. Accurate predictions of void reactivity coefficient in HCLWR conditions and their comparisons with representative experiments are therefore required. In this paper an inter comparison of modern codes and cross-section libraries is performed for a former Benchmark on Void Reactivitymore » Effect in PWRs conducted by the OECD/NEA. It shows an overview of the k-inf values and their associated VRC obtained for infinite lattice calculations with UO{sub 2} and highly enriched MOX fuel cells. The codes MCNPX2.5, TRIPOLI4.4 and CASMO-5 in conjunction with the libraries ENDF/B-VI.8, -VII.0, JEF-2.2 and JEFF-3.1 are used. A non-negligible spread of results for voided conditions is found for the high content MOX fuel. The spread of eigenvalues for the moderated and voided UO{sub 2} fuel are about 200 pcm and 700 pcm, respectively. The standard deviation for the VRCs for the UO{sub 2} fuel is about 0.7% while the one for the MOX fuel is about 13%. This work shows that an appropriate treatment of the unresolved resonance energy range is an important issue for the accurate determination of the void reactivity effect for HCLWR. A comparison to experimental results is needed to resolve the presented discrepancies. (authors)« less

Evaluation of the thin agar layer method for the recovery of pressure-injured and heat-injured Listeria monocytogenes.

PubMed

Lavieri, Nicolas A; Sebranek, Joseph G; Cordray, Joseph C; Dickson, James S; Jung, Stephanie; Manu, David K; Mendonça, Aubrey F; Brehm-Stecher, Byron F; Stock, Joseph; Stalder, Kenneth J

2014-05-01

A sublethally injured bacterial cell has been defined as a cell that survives a stress such as heating, freezing, acid treatment, or other antimicrobial intervention but can repair the cellular damage exerted by the stressor and later regain its original ability to grow. Consequently, sublethally injured cells are not likely to be included in conventional enumeration procedures, which could result in unrealistically low counts unless efforts are made to encourage recovery of the injured cells before enumeration. The objective of this study was to evaluate the use of the thin agar layer (TAL) method for the recovery of pressure-injured and heat-injured Listeria monocytogenes in a tryptic soy broth with 0.6% yeast extract system. Pressure injury consisted of treatment of a culture of mixed L. monocytogenes strains with high hydrostatic pressure at 400 or 600 MPa for 1 s, 2 min, 4 min, or 6 min at a process temperature of 12±2 °C. Heat injury consisted of treatment of a culture of mixed L. monocytogenes strains at 60±1 °C for 3, 6, or 9 min. Growth media were tryptic soy agar (TSA) with 0.6% yeast extract, modified Oxford medium (MOX), and TAL, which consisted of a 7-ml layer of TSA overlaid onto solidified MOX. Counts of viable L. monocytogenes on TAL were higher than those on MOX in the heat-injury experiment but not in the pressure-injury experiment. Therefore, the effectiveness of the TAL method may be specific to the type of injury applied to the microorganism and should be investigated in a variety of cellular injury scenarios.

Genome assembly reborn: recent computational challenges

PubMed Central

2009-01-01

Research into genome assembly algorithms has experienced a resurgence due to new challenges created by the development of next generation sequencing technologies. Several genome assemblers have been published in recent years specifically targeted at the new sequence data; however, the ever-changing technological landscape leads to the need for continued research. In addition, the low cost of next generation sequencing data has led to an increased use of sequencing in new settings. For example, the new field of metagenomics relies on large-scale sequencing of entire microbial communities instead of isolate genomes, leading to new computational challenges. In this article, we outline the major algorithmic approaches for genome assembly and describe recent developments in this domain. PMID:19482960

Bi-Modal Model for Neutron Emissions from PuO{sub 2} and MOX Holdup

DOE Office of Scientific and Technical Information (OSTI.GOV)

Menlove, Howard; Lafleur, Adrienne

2015-07-01

The measurement of uranium and plutonium holdup in plants during process activity and for decommissioning is important for nuclear safeguards and material control. The amount of plutonium and uranium holdup in glove-boxes, pipes, ducts, and other containers has been measured for several decades using both neutron and gamma-ray techniques. For the larger containers such as hot cells and glove-boxes that contain processing equipment, the gamma-ray techniques are limited by self-shielding in the sample as well as gamma absorption in the equipment and associated shielding. The neutron emission is more penetrating and has been used extensively to measure the holdup formore » the large facilities such as the MOX processing and fabrication facilities in Japan and Europe. In some case the totals neutron emission rates are used to determine the holdup mass and in other cases the coincidence rates are used such as at the PFPF MOX fabrication plant in Japan. The neutron emission from plutonium and MOX has 3 primary source terms: 1) Spontaneous fission (SF) from the plutonium isotopes, 2) The (α,n) reactions from the plutonium alpha particle emission reacting with the oxygen and other impurities, and 3) Neutron multiplication (M) in the plutonium and uranium as a result of neutrons created by the first two sources. The spontaneous fission yield per gram is independent of thickness, whereas, the above sources 2) and 3) are very dependent on the thickness of the deposit. As the effective thickness of the deposit becomes thin relative to the alpha particle range, the (α,n) reactions and neutrons from multiplication (M) approach zero. In any glove-box, there will always be two primary modes of holdup accumulation, namely direct powder contact and non-contact by air dispersal. These regimes correspond to surfaces in the glove-box that have come into direct contact with the process MOX powder versus surface areas that have not had direct contact with the powder. The air dispersal of PuO{sub 2} particles has been studied for several decades by health physicists, because the primary health hazard of plutonium is breathing the airborne particles. The air dispersal mechanism results from the smaller particles in the top layer of powder that are lifted into the air by the electrostatic charge buildup from the alpha decay process, and the air convection carries the particles to new more distant locations. If there is open plutonium powder in a glove-box, the surfaces at more distant locations will become contaminated over time. The range of an alpha particle in a solid or powder is a function of the particle energy, the material density, and the atomic number A of the material. The average energy of a plutonium alpha particle is ∼5.2 MeV and the range in air is ∼37 mm. The range in other materials can be estimated via the Bragg-Kleenman equation. For plutonium, A is 94, and the typical density for a single particle is ∼11.5 g/cm{sup 3}, but for a powder, the density would be less because of the air packing fraction. The significance of the small diameter is that the range of the alpha particle is ∼50 μm for powder density 2.5 and significantly less for a single particle with density 11.5, so the thin deposit of separate small particles will have a greatly reduced (α,n) yield. The average alpha transit length to the surface in the isolated MOX particle would be < 2.5 μm; whereas, the range of the alpha particle is much longer. Thus, most of the alpha particles would escape from the MOX particle and be absorbed by the walls and air. The air dispersal particles will have access to a large surface area that includes the walls, whereas, the powder contact surface area will be orders of magnitude smaller. Thus, the vast majority of the glove-box surface area does not produce the full (α,n) reaction neutron yield, even from the O{sub 2} in the PuO{sub 2} as well as any impurity contamination such as H{sub 2}O. To obtain a more quantitative estimate of the neutron (α,n) yields as a function of holdup deposit thickness, we have used MCNPX calculations to estimate the absorption of alpha particles in PuO{sub 2} holdup deposits. The powder thickness was varied from 0.1 μm to 5000 μm and the alpha particle escape probability was calculated. As would be expected, as the thickness approaches zero, the escape probability approaches 1.0, and as the thickness gets much greater than the alpha particle range (∼50 μm), the escape probability becomes small. Typically, the neutron holdup calibration measurement are performed using sealed containers of thick MOX that has all 3 sources of neutrons [SF, (α,n), and M], and no significant impurities. Thus, the calibration counting rates need to include corrections for M and (α,n) yields that are different for the holdup compared with the calibration samples. If totals neutron counting is used for the holdup measurements, the variability of the (α,n) term needs to be considered.« less

Two criteria for the selection of assembly plans - Maximizing the flexibility of sequencing the assembly tasks and minimizing the assembly time through parallel execution of assembly tasks

NASA Technical Reports Server (NTRS)

Homem De Mello, Luiz S.; Sanderson, Arthur C.

1991-01-01

The authors introduce two criteria for the evaluation and selection of assembly plans. The first criterion is to maximize the number of different sequences in which the assembly tasks can be executed. The second criterion is to minimize the total assembly time through simultaneous execution of assembly tasks. An algorithm that performs a heuristic search for the best assembly plan over the AND/OR graph representation of assembly plans is discussed. Admissible heuristics for each of the two criteria introduced are presented. Some implementation issues that affect the computational efficiency are addressed.

Advanced Computer Simulations of Military Incinerators

DTIC Science & Technology

2004-12-01

Reaction Engineering International (REI) has developed advanced computer simulation tools for analyzing chemical demilitarization incinerators. The...Manager, 2003a: Summary of Engineering Design Study Projectile Washout System (PWS) Testing. Assembled Chemical Weapons Alternatives (ACWA), Final... Engineering Design Studies for Demilitarization of Assembled Chemical Weapons at Pueblo Chemical Depot. O’Shea, L. et al, 2003: RIM 57 – Monitoring in

Combining Self-Explaining with Computer Architecture Diagrams to Enhance the Learning of Assembly Language Programming

ERIC Educational Resources Information Center

Hung, Y.-C.

2012-01-01

This paper investigates the impact of combining self explaining (SE) with computer architecture diagrams to help novice students learn assembly language programming. Pre- and post-test scores for the experimental and control groups were compared and subjected to covariance (ANCOVA) statistical analysis. Results indicate that the SE-plus-diagram…

An Easily Assembled Laboratory Exercise in Computed Tomography

ERIC Educational Resources Information Center

Mylott, Elliot; Klepetka, Ryan; Dunlap, Justin C.; Widenhorn, Ralf

2011-01-01

In this paper, we present a laboratory activity in computed tomography (CT) primarily composed of a photogate and a rotary motion sensor that can be assembled quickly and partially automates data collection and analysis. We use an enclosure made with a light filter that is largely opaque in the visible spectrum but mostly transparent to the near…

TUMOR HAPLOTYPE ASSEMBLY ALGORITHMS FOR CANCER GENOMICS

PubMed Central

AGUIAR, DEREK; WONG, WENDY S.W.; ISTRAIL, SORIN

2014-01-01

The growing availability of inexpensive high-throughput sequence data is enabling researchers to sequence tumor populations within a single individual at high coverage. But, cancer genome sequence evolution and mutational phenomena like driver mutations and gene fusions are difficult to investigate without first reconstructing tumor haplotype sequences. Haplotype assembly of single individual tumor populations is an exceedingly difficult task complicated by tumor haplotype heterogeneity, tumor or normal cell sequence contamination, polyploidy, and complex patterns of variation. While computational and experimental haplotype phasing of diploid genomes has seen much progress in recent years, haplotype assembly in cancer genomes remains uncharted territory. In this work, we describe HapCompass-Tumor a computational modeling and algorithmic framework for haplotype assembly of copy number variable cancer genomes containing haplotypes at different frequencies and complex variation. We extend our polyploid haplotype assembly model and present novel algorithms for (1) complex variations, including copy number changes, as varying numbers of disjoint paths in an associated graph, (2) variable haplotype frequencies and contamination, and (3) computation of tumor haplotypes using simple cycles of the compass graph which constrain the space of haplotype assembly solutions. The model and algorithm are implemented in the software package HapCompass-Tumor which is available for download from http://www.brown.edu/Research/Istrail_Lab/. PMID:24297529

A parameter estimation technique for stochastic self-assembly systems and its application to human papillomavirus self-assembly.

PubMed

Kumar, M Senthil; Schwartz, Russell

2010-12-09

Virus capsid assembly has been a key model system for studies of complex self-assembly but it does pose some significant challenges for modeling studies. One important limitation is the difficulty of determining accurate rate parameters. The large size and rapid assembly of typical viruses make it infeasible to directly measure coat protein binding rates or deduce them from the relatively indirect experimental measures available. In this work, we develop a computational strategy to deduce coat-coat binding rate parameters for viral capsid assembly systems by fitting stochastic simulation trajectories to experimental measures of assembly progress. Our method combines quadratic response surface and quasi-gradient descent approximations to deal with the high computational cost of simulations, stochastic noise in simulation trajectories and limitations of the available experimental data. The approach is demonstrated on a light scattering trajectory for a human papillomavirus (HPV) in vitro assembly system, showing that the method can provide rate parameters that produce accurate curve fits and are in good concordance with prior analysis of the data. These fits provide an insight into potential assembly mechanisms of the in vitro system and give a basis for exploring how these mechanisms might vary between in vitro and in vivo assembly conditions.

A parameter estimation technique for stochastic self-assembly systems and its application to human papillomavirus self-assembly

NASA Astrophysics Data System (ADS)

Senthil Kumar, M.; Schwartz, Russell

2010-12-01

Virus capsid assembly has been a key model system for studies of complex self-assembly but it does pose some significant challenges for modeling studies. One important limitation is the difficulty of determining accurate rate parameters. The large size and rapid assembly of typical viruses make it infeasible to directly measure coat protein binding rates or deduce them from the relatively indirect experimental measures available. In this work, we develop a computational strategy to deduce coat-coat binding rate parameters for viral capsid assembly systems by fitting stochastic simulation trajectories to experimental measures of assembly progress. Our method combines quadratic response surface and quasi-gradient descent approximations to deal with the high computational cost of simulations, stochastic noise in simulation trajectories and limitations of the available experimental data. The approach is demonstrated on a light scattering trajectory for a human papillomavirus (HPV) in vitro assembly system, showing that the method can provide rate parameters that produce accurate curve fits and are in good concordance with prior analysis of the data. These fits provide an insight into potential assembly mechanisms of the in vitro system and give a basis for exploring how these mechanisms might vary between in vitro and in vivo assembly conditions.

Interpretive computer simulator for the NASA Standard Spacecraft Computer-2 (NSSC-2)

NASA Technical Reports Server (NTRS)

Smith, R. S.; Noland, M. S.

1979-01-01

An Interpretive Computer Simulator (ICS) for the NASA Standard Spacecraft Computer-II (NSSC-II) was developed as a code verification and testing tool for the Annular Suspension and Pointing System (ASPS) project. The simulator is written in the higher level language PASCAL and implented on the CDC CYBER series computer system. It is supported by a metal assembler, a linkage loader for the NSSC-II, and a utility library to meet the application requirements. The architectural design of the NSSC-II is that of an IBM System/360 (S/360) and supports all but four instructions of the S/360 standard instruction set. The structural design of the ICS is described with emphasis on the design differences between it and the NSSC-II hardware. The program flow is diagrammed, with the function of each procedure being defined; the instruction implementation is discussed in broad terms; and the instruction timings used in the ICS are listed. An example of the steps required to process an assembly level language program on the ICS is included. The example illustrates the control cards necessary to assemble, load, and execute assembly language code; the sample program to to be executed; the executable load module produced by the loader; and the resulting output produced by the ICS.

Estimation of the limit of detection in semiconductor gas sensors through linearized calibration models.

PubMed

Burgués, Javier; Jiménez-Soto, Juan Manuel; Marco, Santiago

2018-07-12

The limit of detection (LOD) is a key figure of merit in chemical sensing. However, the estimation of this figure of merit is hindered by the non-linear calibration curve characteristic of semiconductor gas sensor technologies such as, metal oxide (MOX), gasFETs or thermoelectric sensors. Additionally, chemical sensors suffer from cross-sensitivities and temporal stability problems. The application of the International Union of Pure and Applied Chemistry (IUPAC) recommendations for univariate LOD estimation in non-linear semiconductor gas sensors is not straightforward due to the strong statistical requirements of the IUPAC methodology (linearity, homoscedasticity, normality). Here, we propose a methodological approach to LOD estimation through linearized calibration models. As an example, the methodology is applied to the detection of low concentrations of carbon monoxide using MOX gas sensors in a scenario where the main source of error is the presence of uncontrolled levels of humidity. Copyright © 2018 Elsevier B.V. All rights reserved.

ARCADIA{sup R} - A New Generation of Coupled Neutronics / Core Thermal- Hydraulics Code System at AREVA NP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Curca-Tivig, Florin; Merk, Stephan; Pautz, Andreas

2007-07-01

Anticipating future needs of our customers and willing to concentrate synergies and competences existing in the company for the benefit of our customers, AREVA NP decided in 2002 to develop the next generation of coupled neutronics/ core thermal-hydraulic (TH) code systems for fuel assembly and core design calculations for both, PWR and BWR applications. The global CONVERGENCE project was born: after a feasibility study of one year (2002) and a conceptual phase of another year (2003), development was started at the beginning of 2004. The present paper introduces the CONVERGENCE project, presents the main feature of the new code systemmore » ARCADIA{sup R} and concludes on customer benefits. ARCADIA{sup R} is designed to meet AREVA NP market and customers' requirements worldwide. Besides state-of-the-art physical modeling, numerical performance and industrial functionality, the ARCADIA{sup R} system is featuring state-of-the-art software engineering. The new code system will bring a series of benefits for our customers: e.g. improved accuracy for heterogeneous cores (MOX/ UOX, Gd...), better description of nuclide chains, and access to local neutronics/ thermal-hydraulics and possibly thermal-mechanical information (3D pin by pin full core modeling). ARCADIA is a registered trademark of AREVA NP. (authors)« less

Programmable full-adder computations in communicating three-dimensional cell cultures.

PubMed

Ausländer, David; Ausländer, Simon; Pierrat, Xavier; Hellmann, Leon; Rachid, Leila; Fussenegger, Martin

2018-01-01

Synthetic biologists have advanced the design of trigger-inducible gene switches and their assembly into input-programmable circuits that enable engineered human cells to perform arithmetic calculations reminiscent of electronic circuits. By designing a versatile plug-and-play molecular-computation platform, we have engineered nine different cell populations with genetic programs, each of which encodes a defined computational instruction. When assembled into 3D cultures, these engineered cell consortia execute programmable multicellular full-adder logics in response to three trigger compounds.

Hybrid reduced order modeling for assembly calculations

DOE PAGES

Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; ...

2015-08-14

While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the usemore » of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.« less

Protein Structure Determination by Assembling Super-Secondary Structure Motifs Using Pseudocontact Shifts.

PubMed

Pilla, Kala Bharath; Otting, Gottfried; Huber, Thomas

2017-03-07

Computational and nuclear magnetic resonance hybrid approaches provide efficient tools for 3D structure determination of small proteins, but currently available algorithms struggle to perform with larger proteins. Here we demonstrate a new computational algorithm that assembles the 3D structure of a protein from its constituent super-secondary structural motifs (Smotifs) with the help of pseudocontact shift (PCS) restraints for backbone amide protons, where the PCSs are produced from different metal centers. The algorithm, DINGO-PCS (3D assembly of Individual Smotifs to Near-native Geometry as Orchestrated by PCSs), employs the PCSs to recognize, orient, and assemble the constituent Smotifs of the target protein without any other experimental data or computational force fields. Using a universal Smotif database, the DINGO-PCS algorithm exhaustively enumerates any given Smotif. We benchmarked the program against ten different protein targets ranging from 100 to 220 residues with different topologies. For nine of these targets, the method was able to identify near-native Smotifs. Copyright © 2017 Elsevier Ltd. All rights reserved.

In vitro protease cleavage and computer simulations reveal the HIV-1 capsid maturation pathway

NASA Astrophysics Data System (ADS)

Ning, Jiying; Erdemci-Tandogan, Gonca; Yufenyuy, Ernest L.; Wagner, Jef; Himes, Benjamin A.; Zhao, Gongpu; Aiken, Christopher; Zandi, Roya; Zhang, Peijun

2016-12-01

HIV-1 virions assemble as immature particles containing Gag polyproteins that are processed by the viral protease into individual components, resulting in the formation of mature infectious particles. There are two competing models for the process of forming the mature HIV-1 core: the disassembly and de novo reassembly model and the non-diffusional displacive model. To study the maturation pathway, we simulate HIV-1 maturation in vitro by digesting immature particles and assembled virus-like particles with recombinant HIV-1 protease and monitor the process with biochemical assays and cryoEM structural analysis in parallel. Processing of Gag in vitro is accurate and efficient and results in both soluble capsid protein and conical or tubular capsid assemblies, seemingly converted from immature Gag particles. Computer simulations further reveal probable assembly pathways of HIV-1 capsid formation. Combining the experimental data and computer simulations, our results suggest a sequential combination of both displacive and disassembly/reassembly processes for HIV-1 maturation.

The A, C, G, and T of Genome Assembly.

PubMed

Wajid, Bilal; Sohail, Muhammad U; Ekti, Ali R; Serpedin, Erchin

2016-01-01

Genome assembly in its two decades of history has produced significant research, in terms of both biotechnology and computational biology. This contribution delineates sequencing platforms and their characteristics, examines key steps involved in filtering and processing raw data, explains assembly frameworks, and discusses quality statistics for the assessment of the assembled sequence. Furthermore, the paper explores recent Ubuntu-based software environments oriented towards genome assembly as well as some avenues for future research.

Small strongyle infection: consequences of larvicidal treatment of horses with fenbendazole and moxidectin.

PubMed

Steinbach, Tanja; Bauer, Christian; Sasse, Hermann; Baumgärtner, Wolfgang; Rey-Moreno, Cecilia; Hermosilla, Carlos; Damriyasa, I Made; Zahner, Horst

2006-06-30

The study was undertaken to evaluate adverse effects of larvicidal treatment in horses naturally infected with cyathostomins. Out of 24 ponies kept on pasture, four animals were housed in September and anthelmintically cured to serve as worm-free controls (group C-0). The others were housed in December. Eight animals each were treated 8 weeks later with 5 x 7.5mg/kg fenbendazole (FBZ) or 1 x 0.4 mg/kg moxidectin (MOX). Four animals remained untreated (group C-i). Two, 4, 6 and 14 days after the end of treatment two animals of each of the treated groups were necropsied together with group C-0 and C-i animals. Infected animals before treatment showed weight loss, eosinophilia, increased plasma protein and globulin contents. Treatment was followed by weight gain and temporal plasma protein and globulin increase. Proportions of CD4+ and CD8+ T lymphocytes in the peripheral blood did not differ between the groups before treatment but dropped significantly temporally after FBZ treatment. Group C-0 was worm-free at necropsy. Group C-i animals contained variable numbers of luminal and tissue cyathostomins. Histological sections showed larval stages in the lamina propria und submucosa surrounded by macrophages. Either treatment was effective against luminal parasites and reduced the number of larvae in the bowel wall beginning 4-6 days after FBZ and 6-14 days after MOX treatment. Histologically, as a first reaction after FBZ application T lymphocytes accumulated around morphologically intact L4 in the submucosa. Subsequently T lymphocytes associated with eosinophils infiltrated the submucosa. Parasites became enclosed by granulomas with eosinophils adhering to and invading the larvae which started to disintegrate on day 4. Later on, particularly on day 14 inflammation extended into the mucosa and was frequently associated with ulcerations. Third stage larvae in general and L4 in the lamina propria, however, seemed not to be affected until day 14 and even then, parasites did usually not generate extensive inflammation. After MOX treatment severe morphologically detectable alterations of tissue larvae could not be observed earlier than day 14. Different from FBZ treatment, larvae disintegrated and were obviously resorbed without causing severe inflammation in the gut wall. In conclusion treatment with either drug was efficacious against tissue larvae of cyathostomins but there may be different clinical consequences: in contrast to MOX effects, killing of larvae due to FBZ was associated with severe tissue damage, which clinically may correspond to reactions caused by synchronous mass emergence of fourth stage larvae, i.e., may mimic larval cyathostominosis.

A Scheduling Algorithm for Computational Grids that Minimizes Centralized Processing in Genome Assembly of Next-Generation Sequencing Data

PubMed Central

Lima, Jakelyne; Cerdeira, Louise Teixeira; Bol, Erick; Schneider, Maria Paula Cruz; Silva, Artur; Azevedo, Vasco; Abelém, Antônio Jorge Gomes

2012-01-01

Improvements in genome sequencing techniques have resulted in generation of huge volumes of data. As a consequence of this progress, the genome assembly stage demands even more computational power, since the incoming sequence files contain large amounts of data. To speed up the process, it is often necessary to distribute the workload among a group of machines. However, this requires hardware and software solutions specially configured for this purpose. Grid computing try to simplify this process of aggregate resources, but do not always offer the best performance possible due to heterogeneity and decentralized management of its resources. Thus, it is necessary to develop software that takes into account these peculiarities. In order to achieve this purpose, we developed an algorithm aimed to optimize the functionality of de novo assembly software ABySS in order to optimize its operation in grids. We run ABySS with and without the algorithm we developed in the grid simulator SimGrid. Tests showed that our algorithm is viable, flexible, and scalable even on a heterogeneous environment, which improved the genome assembly time in computational grids without changing its quality. PMID:22461785

Unaligned instruction relocation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bertolli, Carlo; O'Brien, John K.; Sallenave, Olivier H.

In one embodiment, a computer-implemented method includes receiving source code to be compiled into an executable file for an unaligned instruction set architecture (ISA). Aligned assembled code is generated, by a computer processor. The aligned assembled code complies with an aligned ISA and includes aligned processor code for a processor and aligned accelerator code for an accelerator. A first linking pass is performed on the aligned assembled code, including relocating a first relocation target in the aligned accelerator code that refers to a first object outside the aligned accelerator code. Unaligned assembled code is generated in accordance with the unalignedmore » ISA and includes unaligned accelerator code for the accelerator and unaligned processor code for the processor. A second linking pass is performed on the unaligned assembled code, including relocating a second relocation target outside the unaligned accelerator code that refers to an object in the unaligned accelerator code.« less

Unaligned instruction relocation

DOEpatents

Bertolli, Carlo; O'Brien, John K.; Sallenave, Olivier H.; Sura, Zehra N.

2018-01-23

In one embodiment, a computer-implemented method includes receiving source code to be compiled into an executable file for an unaligned instruction set architecture (ISA). Aligned assembled code is generated, by a computer processor. The aligned assembled code complies with an aligned ISA and includes aligned processor code for a processor and aligned accelerator code for an accelerator. A first linking pass is performed on the aligned assembled code, including relocating a first relocation target in the aligned accelerator code that refers to a first object outside the aligned accelerator code. Unaligned assembled code is generated in accordance with the unaligned ISA and includes unaligned accelerator code for the accelerator and unaligned processor code for the processor. A second linking pass is performed on the unaligned assembled code, including relocating a second relocation target outside the unaligned accelerator code that refers to an object in the unaligned accelerator code.

The A, C, G, and T of Genome Assembly

PubMed Central

Wajid, Bilal; Sohail, Muhammad U.; Ekti, Ali R.; Serpedin, Erchin

2016-01-01

Genome assembly in its two decades of history has produced significant research, in terms of both biotechnology and computational biology. This contribution delineates sequencing platforms and their characteristics, examines key steps involved in filtering and processing raw data, explains assembly frameworks, and discusses quality statistics for the assessment of the assembled sequence. Furthermore, the paper explores recent Ubuntu-based software environments oriented towards genome assembly as well as some avenues for future research. PMID:27247941

75 FR 51500 - Advisory Committee on Reactor Safeguards

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-20

..., October 14, 2009 (74 FR 52829-52830). Thursday, September 9, 2010, Conference Room T2-B1, Two White Flint... Fabrication Facility and the Associated Safety Evaluation Report (Open/ Closed)--The Committee will hold... the MOX Fuel Fabrication Facility and the associated Safety Evaluation Report. [Note: A portion of...

Development of burnup dependent fuel rod model in COBRA-TF

NASA Astrophysics Data System (ADS)

Yilmaz, Mine Ozdemir

The purpose of this research was to develop a burnup dependent fuel thermal conductivity model within Pennsylvania State University, Reactor Dynamics and Fuel Management Group (RDFMG) version of the subchannel thermal-hydraulics code COBRA-TF (CTF). The model takes into account first, the degradation of fuel thermal conductivity with high burnup; and second, the fuel thermal conductivity dependence on the Gadolinium content for both UO2 and MOX fuel rods. The modified Nuclear Fuel Industries (NFI) model for UO2 fuel rods and Duriez/Modified NFI Model for MOX fuel rods were incorporated into CTF and fuel centerline predictions were compared against Halden experimental test data and FRAPCON-3.4 predictions to validate the burnup dependent fuel thermal conductivity model in CTF. Experimental test cases from Halden reactor fuel rods for UO2 fuel rods at Beginning of Life (BOL), through lifetime without Gd2O3 and through lifetime with Gd 2O3 and a MOX fuel rod were simulated with CTF. Since test fuel rod and FRAPCON-3.4 results were based on single rod measurements, CTF was run for a single fuel rod surrounded with a single channel configuration. Input decks for CTF were developed for one fuel rod located at the center of a subchannel (rod-centered subchannel approach). Fuel centerline temperatures predicted by CTF were compared against the measurements from Halden experimental test data and the predictions from FRAPCON-3.4. After implementing the new fuel thermal conductivity model in CTF and validating the model with experimental data, CTF model was applied to steady state and transient calculations. 4x4 PWR fuel bundle configuration from Purdue MOX benchmark was used to apply the new model for steady state and transient calculations. First, one of each high burnup UO2 and MOX fuel rods from 4x4 matrix were selected to carry out single fuel rod calculations and fuel centerline temperatures predicted by CTF/TORT-TD were compared against CTF /TORT-TD /FRAPTRAN predictions. After confirming that the new fuel thermal conductivity model in CTF worked and provided consistent results with FRAPTRAN predictions for a single fuel rod configuration, the same type of analysis was carried out for a bigger system which is the 4x4 PWR bundle consisting of 15 fuel pins and one control guide tube. Steady- state calculations at Hot Full Power (HFP) conditions for control guide tube out (unrodded) were performed using the 4x4 PWR array with CTF/TORT-TD coupled code system. Fuel centerline, surface and average temperatures predicted by CTF/TORT-TD with and without the new fuel thermal conductivity model were compared against CTF/TORT-TD/FRAPTRAN predictions to demonstrate the improvement in fuel centerline predictions when new model was used. In addition to that constant and CTF dynamic gap conductance model were used with the new thermal conductivity model to show the performance of the CTF dynamic gap conductance model and its impact on fuel centerline and surface temperatures. Finally, a Rod Ejection Accident (REA) scenario using the same 4x4 PWR array was run both at Hot Zero Power (HZP) and Hot Full Power (HFP) condition, starting at a position where half of the control rod is inserted. This scenario was run using CTF/TORT-TD coupled code system with and without the new fuel thermal conductivity model. The purpose of this transient analysis was to show the impact of thermal conductivity degradation (TCD) on feedback effects, specifically Doppler Reactivity Coefficient (DRC) and, eventually, total core reactivity.

Application of a personal computer for the uncoupled vibration analysis of wind turbine blade and counterweight assemblies

NASA Technical Reports Server (NTRS)

White, P. R.; Little, R. R.

1985-01-01

A research effort was undertaken to develop personal computer based software for vibrational analysis. The software was developed to analytically determine the natural frequencies and mode shapes for the uncoupled lateral vibrations of the blade and counterweight assemblies used in a single bladed wind turbine. The uncoupled vibration analysis was performed in both the flapwise and chordwise directions for static rotor conditions. The effects of rotation on the uncoupled flapwise vibration of the blade and counterweight assemblies were evaluated for various rotor speeds up to 90 rpm. The theory, used in the vibration analysis codes, is based on a lumped mass formulation for the blade and counterweight assemblies. The codes are general so that other designs can be readily analyzed. The input for the codes is generally interactive to facilitate usage. The output of the codes is both tabular and graphical. Listings of the codes are provided. Predicted natural frequencies of the first several modes show reasonable agreement with experimental results. The analysis codes were originally developed on a DEC PDP 11/34 minicomputer and then downloaded and modified to run on an ITT XTRA personal computer. Studies conducted to evaluate the efficiency of running the programs on a personal computer as compared with the minicomputer indicated that, with the proper combination of hardware and software options, the efficiency of using a personal computer exceeds that of a minicomputer.

Interim status report on lead-cooled fast reactor (LFR) research and development.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tzanos, C. P.; Sienicki, J. J.; Moisseytsev, A.

2008-03-31

This report discusses the status of Lead-Cooled Fast Reactor (LFR) research and development carried out during the first half of FY 2008 under the U.S. Department of Energy Generation IV Nuclear Energy Systems Initiative. Lead-Cooled Fast Reactor research and development has recently been transferred from Generation IV to the Reactor Campaign of the Global Nuclear Energy Partnership (GNEP). Another status report shall be issued at the end of FY 2008 covering all of the LFR activities carried out in FY 2008 for both Generation IV and GNEP. The focus of research and development in FY 2008 is an initial investigationmore » of a concept for a LFR Advanced Recycling Reactor (ARR) Technology Pilot Plant (TPP)/demonstration test reactor (demo) incorporating features and operating conditions of the European Lead-cooled SYstem (ELSY) {approx} 600 MWe lead (Pb)-cooled LFR preconceptual design for the transmutation of waste and central station power generation, and which would enable irradiation testing of advanced fuels and structural materials. Initial scoping core concept development analyses have been carried out for a 100 MWt core composed of sixteen open-lattice 20 by 20 fuel assemblies largely similar to those of the ELSY preconceptual fuel assembly design incorporating fuel pins with mixed oxide (MOX) fuel, central control rods in each fuel assembly, and cooled with Pb coolant. For a cycle length of three years, the core is calculated to have a conversion ratio of 0.79, an average discharge burnup of 108 MWd/kg of heavy metal, and a burnup reactivity swing of about 13 dollars. With a control rod in each fuel assembly, the reactivity worth of an individual rod would need to be significantly greater than one dollar which is undesirable for postulated rod withdrawal reactivity insertion events. A peak neutron fast flux of 2.0 x 10{sup 15} (n/cm{sup 2}-s) is calculated. For comparison, the 400 MWt Fast Flux Test Facility (FFTF) achieved a peak neutron fast flux of 7.2 x 10{sup 15} (n/cm{sup 2}-s) and the initially 563 MWt PHENIX reactor attained 2.0 x 10{sup 15} (n/cm{sup 2}-s) before one of three intermediate cooling loops was shut down due to concerns about potential steam generator tube failures. The calculations do not assume a test assembly location for advanced fuels and materials irradiation in place of a fuel assembly (e.g., at the center of the core); the calculations have not examined whether it would be feasible to replace the central assembly by a test assembly location. However, having only fifteen driver assemblies implies a significant effect due to perturbations introduced by the test assembly. The peak neutron fast flux is low compared with the fast fluxes previously achieved in FFTF and PHENIX. Furthermore, the peak neutron fluence is only about half of the limiting value (4 x 10{sup 23} n/cm{sup 2}) typically used for ferritic steels. The results thus suggest that a larger power level (e.g., 400 MWt) and a larger core would be better for a TPP based upon the ELSY fuel assembly design and which can also perform irradiation testing of advanced fuels and materials. In particular, a core having a higher power level and larger dimensions would achieve a suitable average discharge burnup, peak fast flux, peak fluence, and would support the inclusion of one or more test assembly locations. Participation in the Generation IV International Forum Provisional System Steering Committee for the LFR is being maintained throughout FY 2008. Results from the analysis of samples previously exposed to flowing lead-bismuth eutectic (LBE) in the DELTA loop are summarized and a model for the oxidation/corrosion kinetics of steels in heavy liquid metal coolants was applied to systematically compare the calculated long-term (i.e., following several years of growth) oxide layer thicknesses of several steels.« less

A fast sequence assembly method based on compressed data structures.

PubMed

Liang, Peifeng; Zhang, Yancong; Lin, Kui; Hu, Jinglu

2014-01-01

Assembling a large genome using next generation sequencing reads requires large computer memory and a long execution time. To reduce these requirements, a memory and time efficient assembler is presented from applying FM-index in JR-Assembler, called FMJ-Assembler, where FM stand for FMR-index derived from the FM-index and BWT and J for jumping extension. The FMJ-Assembler uses expanded FM-index and BWT to compress data of reads to save memory and jumping extension method make it faster in CPU time. An extensive comparison of the FMJ-Assembler with current assemblers shows that the FMJ-Assembler achieves a better or comparable overall assembly quality and requires lower memory use and less CPU time. All these advantages of the FMJ-Assembler indicate that the FMJ-Assembler will be an efficient assembly method in next generation sequencing technology.

2-d and 1-d Nanomaterials Construction through Peptide Computational Design and Solution Assembly

NASA Astrophysics Data System (ADS)

Pochan, Darrin

Self-assembly of molecules is an attractive materials construction strategy due to its simplicity in application. By considering peptidic molecules in the bottom-up materials self-assembly design process, one can take advantage of inherently biomolecular attributes; intramolecular folding events, secondary structure, and electrostatic/H-bonding/hydrophobic interactions to define hierarchical material structure and consequent properties. Importantly, while biomimicry has been a successful strategy for the design of new peptide molecules for intermolecular assembly, computational tools have been developed to de novo design peptide molecules required for construction of pre-determined, desired nanostructures and materials. A new system comprised of coiled coil bundle motifs theoretically designed to assemble into designed, one and two-dimensional nanostructures will be introduced. The strategy provides the opportunity for arbitrary nanostructure formation, i.e. structures not observed in nature, with peptide molecules. Importantly, the desired nanostructure was chosen first while the peptides needed for coiled coil formation and subsequent nanomaterial formation were determined computationally. Different interbundle, two-dimensional nanostructures are stabilized by differences in amino acid composition exposed on the exterior of the coiled coil bundles. Computation was able to determine molecules required for different interbundle symmetries within two-dimensional sheets stabilized by subtle differences in amino acid composition of the inherent peptides. Finally, polymers were also created through covalent interactions between bundles that allowed formation of architectures spanning flexible network forming chains to ultra-stiff polymers, all with the same building block peptides. The success of the computational design strategy is manifested in the nanomaterial results as characterized by electron microscopy, scattering methods, and biophysical techniques. Support from NSF DMREF program under awards DMR-1234161 and DMR-1235084.

Forced response of mistuned bladed disk assemblies

NASA Technical Reports Server (NTRS)

Watson, Brian C.; Kamat, Manohar P.; Murthy, Durbha V.

1993-01-01

A complete analytic model of mistuned bladed disk assemblies, designed to simulate the dynamical behavior of these systems, is analyzed. The model incorporates a generalized method for describing the mistuning of the assembly through the introduction of specific mistuning modes. The model is used to develop a computational bladed disk assembly model for a series of parametric studies. Results are presented demonstrating that the response amplitudes of bladed disk assemblies depend both on the excitation mode and on the mistune mode.

Computational studies of the 2D self-assembly of bacterial microcompartment shell proteins

NASA Astrophysics Data System (ADS)

Mahalik, Jyoti; Brown, Kirsten; Cheng, Xiaolin; Fuentes-Cabrera, Miguel

Bacterial microcomartments (BMCs) are subcellular organelles that exist within wide variety of bacteria and function like nano-reactors. Among the different types of BMCs known, the carboxysome has been studied the most. The carboxysomes plays an important role in the transport of metabolites across its outer proteinaceous shell. Plenty of studies have investigated the structure of this shell, yet little is known about its self-assembly . Understanding the self-assembly process of BMCs' shell might allow disrupting their functioning and designing new synthetic nano-reactors. We have investigated the self-assembly process of a major protein component of the carboxysome's shell using a Monte Carlo technique that employed a coarse-grained protein model that was calibrated with the all-atomistic potential of mean force. The simulations reveal that this protein self-assembles into clusters that resemble what were seen experimentally in 2D layers. Further analysis of the simulation results suggests that the 2D self-assembly of carboxysome's facets is driven by nucleation-growth process, which in turn could play an important role in the hierarchical self-assembly of BMCs' shell in general. 1. Science Undergraduate Laboratory Internships, ORNL 2. Oak Ridge Leadership Computing Facility, ORNL.

Experiments to evolve toward a tangible user interface for computer-aided design parts assembly

NASA Astrophysics Data System (ADS)

Legardeur, Jeremy; Garreau, Ludovic; Couture, Nadine

2004-05-01

In this paper, we present the concepts of the ESKUA (Experimentation of a Kinesics System Usable for Assembly) platform that allows designers to carry out the assembly of mechanical CAD (Computer Aided Design) parts. This platform, based on tangible user interface lead taking into account assembly constraints from the beginning of the design phase and especially during the phase of CAD models manipulation. Our goal is to propose a working environment where the designer is confronted with real assembly constraints which are currently masked by existing CAD software functionalities. Thus, the platform is based on the handling of physical objects, called tangible interactors, which enable having a physical perception of the assembly constraints. In this goal, we have defined a typology of interactors based on concepts proposed in Design For Assembly methods. We present here the results of studies that led to the evolution of this first interactors set. One is concerning an experiment to evaluate the cognitive aspects of the use of interactors. The other is about an analysis of existing mechanical product and fasteners. We will show how these studies lead to the evolution of the interactors based on the functional surfaces use.

The Self-Assembly of Particles with Multipolar Interactions

DTIC Science & Technology

2004-01-01

the LATEX template in which this thesis has been written. I also thank Kevin Van Workum and Jack Douglas for contributing simulation work and some...of the computational expense of simulating such complex self-assembly systems at the molecular level and a desire to understand the self-assembly at...Dissertation directed by: Professor Wolfgang Losert Department of Physics In this thesis , we describe results from investigations of the self-assembly of

Method and system rapid piece handling

DOEpatents

Spletzer, Barry L.

1996-01-01

The advent of high-speed fabric cutters has made necessary the development of automated techniques for the collection and sorting of garment pieces into collated piles of pieces ready for assembly. The present invention enables a new method for such handling and sorting of garment parts, and to apparatus capable of carrying out this new method. The common thread is the application of computer-controlled shuttling bins, capable of picking up a desired piece of fabric and dropping it in collated order for assembly. Such apparatus with appropriate computer control relieves the bottleneck now presented by the sorting and collation procedure, thus greatly increasing the overall rate at which garments can be assembled.

Large-scale parallel genome assembler over cloud computing environment.

PubMed

Das, Arghya Kusum; Koppa, Praveen Kumar; Goswami, Sayan; Platania, Richard; Park, Seung-Jong

2017-06-01

The size of high throughput DNA sequencing data has already reached the terabyte scale. To manage this huge volume of data, many downstream sequencing applications started using locality-based computing over different cloud infrastructures to take advantage of elastic (pay as you go) resources at a lower cost. However, the locality-based programming model (e.g. MapReduce) is relatively new. Consequently, developing scalable data-intensive bioinformatics applications using this model and understanding the hardware environment that these applications require for good performance, both require further research. In this paper, we present a de Bruijn graph oriented Parallel Giraph-based Genome Assembler (GiGA), as well as the hardware platform required for its optimal performance. GiGA uses the power of Hadoop (MapReduce) and Giraph (large-scale graph analysis) to achieve high scalability over hundreds of compute nodes by collocating the computation and data. GiGA achieves significantly higher scalability with competitive assembly quality compared to contemporary parallel assemblers (e.g. ABySS and Contrail) over traditional HPC cluster. Moreover, we show that the performance of GiGA is significantly improved by using an SSD-based private cloud infrastructure over traditional HPC cluster. We observe that the performance of GiGA on 256 cores of this SSD-based cloud infrastructure closely matches that of 512 cores of traditional HPC cluster.

Interference assembly and fretting wear analysis of hollow shaft.

PubMed

Han, Chuanjun; Zhang, Jie

2014-01-01

Fretting damage phenomenon often appears in the interference fit assembly. The finite element model of hollow shaft and shaft sleeve was established, and the equivalent stress and contact stress were computed after interference assembly. The assembly body of hollow shaft and shaft sleeve was in whirling bending load, and the contact status (sticking, sliding, and opening) and the distribution of stress along one typical contact line were computed under different loads, interferences, hollow degrees, friction coefficient, and wear quantity. Judgment formula of contact state was fixed by introducing the corrected coefficient k. The computation results showed that the "edge effect" appears in the contact surface after interference fit. The size of slip zone is unchanged along with the increase of bending load. The greater the interference value, the bigger the wear range. The hollow degree does not influence the size of stick zone but controls the position of the junction point of slip-open. Tangential contact stress increases with the friction coefficient, which has a little effect on normal contact stress. The relationship between open size and wear capacity is approximately linear.

Computational design of co-assembling protein-DNA nanowires

NASA Astrophysics Data System (ADS)

Mou, Yun; Yu, Jiun-Yann; Wannier, Timothy M.; Guo, Chin-Lin; Mayo, Stephen L.

2015-09-01

Biomolecular self-assemblies are of great interest to nanotechnologists because of their functional versatility and their biocompatibility. Over the past decade, sophisticated single-component nanostructures composed exclusively of nucleic acids, peptides and proteins have been reported, and these nanostructures have been used in a wide range of applications, from drug delivery to molecular computing. Despite these successes, the development of hybrid co-assemblies of nucleic acids and proteins has remained elusive. Here we use computational protein design to create a protein-DNA co-assembling nanomaterial whose assembly is driven via non-covalent interactions. To achieve this, a homodimerization interface is engineered onto the Drosophila Engrailed homeodomain (ENH), allowing the dimerized protein complex to bind to two double-stranded DNA (dsDNA) molecules. By varying the arrangement of protein-binding sites on the dsDNA, an irregular bulk nanoparticle or a nanowire with single-molecule width can be spontaneously formed by mixing the protein and dsDNA building blocks. We characterize the protein-DNA nanowire using fluorescence microscopy, atomic force microscopy and X-ray crystallography, confirming that the nanowire is formed via the proposed mechanism. This work lays the foundation for the development of new classes of protein-DNA hybrid materials. Further applications can be explored by incorporating DNA origami, DNA aptamers and/or peptide epitopes into the protein-DNA framework presented here.

Probabilistic Analysis of Pattern Formation in Monotonic Self-Assembly

PubMed Central

Moore, Tyler G.; Garzon, Max H.; Deaton, Russell J.

2015-01-01

Inspired by biological systems, self-assembly aims to construct complex structures. It functions through piece-wise, local interactions among component parts and has the potential to produce novel materials and devices at the nanoscale. Algorithmic self-assembly models the product of self-assembly as the output of some computational process, and attempts to control the process of assembly algorithmically. Though providing fundamental insights, these computational models have yet to fully account for the randomness that is inherent in experimental realizations, which tend to be based on trial and error methods. In order to develop a method of analysis that addresses experimental parameters, such as error and yield, this work focuses on the capability of assembly systems to produce a pre-determined set of target patterns, either accurately or perhaps only approximately. Self-assembly systems that assemble patterns that are similar to the targets in a significant percentage are “strong” assemblers. In addition, assemblers should predominantly produce target patterns, with a small percentage of errors or junk. These definitions approximate notions of yield and purity in chemistry and manufacturing. By combining these definitions, a criterion for efficient assembly is developed that can be used to compare the ability of different assembly systems to produce a given target set. Efficiency is a composite measure of the accuracy and purity of an assembler. Typical examples in algorithmic assembly are assessed in the context of these metrics. In addition to validating the method, they also provide some insight that might be used to guide experimentation. Finally, some general results are established that, for efficient assembly, imply that every target pattern is guaranteed to be assembled with a minimum common positive probability, regardless of its size, and that a trichotomy exists to characterize the global behavior of typical efficient, monotonic self-assembly systems in the literature. PMID:26421616

Elution kinetics, antimicrobial activity, and mechanical properties of 11 different antibiotic loaded acrylic bone cement.

PubMed

Gálvez-López, Ruben; Peña-Monje, Alejandro; Antelo-Lorenzo, Ramón; Guardia-Olmedo, Juan; Moliz, Juan; Hernández-Quero, José; Parra-Ruiz, Jorge

2014-01-01

Antibiotic-loaded acrylic bone cements (ALABC) spacers are routinely used in the treatment of prosthetic joint infections. The objectives of our study were to evaluate different ALABC for elution kinetics, thermal stability, and mechanical properties. A 10 or 20% mixture (w/w) beads of medium viscosity bone cement (DePuy, Inc) and vancomycin (VAN), gentamycin (GM), daptomycin (DAP), moxifloxacin (MOX), rifampicin (RIF), cefotaxime (CTX), cefepime (FEP), amoxicillin clavulanate (AmC), ampicillin (AMP), meropenem (MER), and ertapenem (ERT) were formed and placed into wells filled with phosphate-buffered saline. Antibiotic concentrations were determined using high-performance liquid chromatography. Antimicrobial activity was tested against Micrococcus luteus ATCC 9341 or Escherichia coli ATCC 25922. AmC, AMP, and FEP concentration rapidly decreased after day 2, being almost undetectable at day 4. Sustained and high elution rates were observed with VAN, GM, MOX, and RIF for the 30-day duration of the experiment. DAP, MER, ERT, and CTX elution rates constantly decreased from day 4. All antibiotics tested retained antimicrobial activity proving thermal stability. Mechanical properties of ALABC were maintained except when RIF was used. © 2013.

Determination of abamectin, doramectin, emamectin, eprinomectin, ivermectin, and moxidectin in milk by liquid chromatography electrospray tandem mass specrometry.

PubMed

Sheridan, Robert; Desjardins, Lucille

2006-01-01

The avermectin and milbemycin families of compounds are derived from naturally occurring yeasts. They have proven to be potent preventatives against a variety of pests such as insects and parasites. Only eprinomectin and moxidectin are currently approved for use on lactating cattle with tolerances in milk of 12 microg/kg for eprinomectin and 40 microg/kg for moxidectin. Detection of misuse or inadvertent contamination in milk requires a sensitive and definitive analytical method. A method has been developed for the determination of 5 avermectins and 1 milbemycin in milk using a simple liquid-liquid extraction and liquid chromatography/tandem mass spectrometry (LC/MS/MS) analysis. Ivermectin (IVR), doramectin (DOR), abamectin (ABA), eprinomectin (EPR), emamectin (EMA), and moxidectin (MOX) were extracted from whole milk by partitioning into acetonitrile with a subsequent solvent exchange into methanol-water. Simultaneous confirmation and quantification were achieved with LC separation, positive electrospray ionization (ESI+), and MS/MS. The limits of detection ranged from 16 pg/g (ppt) for EMA to 1.7 microg/g (ppb) for MOX.

Isolation and complementation analysis of 10 methanol oxidation mutant classes and identification of the methanol dehydrogenase structural gene of Methylobacterium sp. strain AM1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nunn, D.N.; Lidstrom, M.E.

A method has been developed for the direct selection of methanol oxidation mutants of the facultative methylotroph Methylobacterium sp. strain AM1 (formerly Pseudomonas sp. strain AM1). Using this direct selection technique, we have isolated mutants of Methylobacterium sp. strain AM1 that are no longer capable of growth on methanol but retain the ability to grow on methylamine. These methanol oxidation (Mox) mutants were complemented with a genomic clone bank of this organism constructed in the broad-host-range cosmid pVK100, and subcloning and Tn5 mutagenesis experiments have assigned the Mox mutants to 10 distinct complementation groups. Using an open reading frame beta-galactosidasemore » fusion vector and antibodies specific for Methylobacterium sp. strain AM1 methanol dehydrogenase, we have identified the methanol dehydrogenase structural gene and determined the direction of transcription. The results suggest that the synthesis and utilization of an active methanol dehydrogenase in this organism requires at least 10 different gene functions.« less

Americium characterization by X-ray fluorescence and absorption spectroscopy in plutonium uranium mixed oxide

NASA Astrophysics Data System (ADS)

Degueldre, Claude; Cozzo, Cedric; Martin, Matthias; Grolimund, Daniel; Mieszczynski, Cyprian

2013-06-01

Plutonium uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The actinides in these fuels need to be analyzed after irradiation for assessing their behaviour with regard to their environment and the coolant. In this work the study of the atomic structure and next-neighbour environment of Am in the (Pu,U)O2 lattice in an irradiated (60 MW d kg-1) MOX sample was performed employing micro-X-ray fluorescence (µ-XRF) and micro-X-ray absorption fine structure (µ-XAFS) spectroscopy. The chemical bonds, valences and stoichiometry of Am (˜0.66 wt%) are determined from the experimental data gained for the irradiated fuel material examined in its peripheral zone (rim) of the fuel. In the irradiated sample Am builds up as Am3+ species within an [AmO8]13- coordination environment (e.g. >90%) and no (<10%) Am(IV) or (V) can be detected in the rim zone. The occurrence of americium dioxide is avoided by the redox buffering activity of the uranium dioxide matrix.

Computerized LCC/ORLA methodology. [Life cycle cost/optimum repair level analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henderson, J.T.

1979-01-01

The effort by Sandia Laboratories in developing CDC6600 computer programs for Optimum Repair Level Analysis (ORLA) and Life Cycle Cost (LCC) analysis is described. Investigation of the three repair-level strategies referenced in AFLCM/AFSCM 800-4 (base discard of subassemblies, base repair of subassemblies, and depot repair of subassemblies) was expanded to include an additional three repair-level strategies (base discard of complete assemblies and, upon shipment of complete assemblies to the depot, depot repair of assemblies by subassembly repair, and depot repair of assemblies by subassembly discard). The expanded ORLA was used directly in an LCC model that was procedurally altered tomore » accommodate the ORLA input data. Available from the LCC computer run was an LCC value corresponding to the strategy chosen from the ORLA. 2 figures.« less

Modular space station, phase B extension. Information management advanced development. Volume 4: Data processing assembly

NASA Technical Reports Server (NTRS)

Gerber, C. R.

1972-01-01

The computation and logical functions which are performed by the data processing assembly of the modular space station are defined. The subjects discussed are: (1) requirements analysis, (2) baseline data processing assembly configuration, (3) information flow study, (4) throughput simulation, (5) redundancy study, (6) memory studies, and (7) design requirements specification.

Direct visualization of the Wntless-induced redistribution of WNT1 in developing chick embryos.

PubMed

Galli, Lisa M; Santana, Frederick; Apollon, Chantilly; Szabo, Linda A; Ngo, Keri; Burrus, Laura W

2018-04-30

Paracrine Wnt signals are critical regulators of cell proliferation, specification, and differentiation during embryogenesis. Consistent with the discovery that Wnt ligands are post-translationally modified with palmitoleate (a 16 carbon mono-unsaturated fatty acid), our studies show that the vast majority of bioavailable chick WNT1 (cWNT1) produced in stably transfected L cells is cell-associated. Thus, it seems unlikely that the WNT1 signal is propagated by diffusion alone. Unfortunately, the production and transport of vertebrate Wnt proteins has been exceedingly difficult to study as few antibodies are able to detect endogenous Wnt proteins and fixation is known to disrupt the architecture of cells and tissues. Furthermore, vertebrate Wnts have been extraordinarily refractory to tagging. To help overcome these obstacles, we have generated a number of tools that permit the detection of WNT1 in palmitoylation assays and the visualization of chick and zebrafish WNT1 in live cells and tissues. Consistent with previous studies in fixed cells, live imaging of cells and tissues with overexpressed cWNT1-moxGFP shows predominant localization of the protein to a reticulated network that is likely to be the endoplasmic reticulum. As PORCN and WLS are important upstream regulators of Wnt gradient formation, we also undertook the generation of mCherry-tagged variants of both proteins. While co-expression of PORCN-mCherry had no discernible effect on the localization of WNT1-moxGFP, co-expression of WLS-mCherry caused a marked redistribution of WNT1-moxGFP to the cell surface and cellular projections in cultured cells as well as in neural crest and surface ectoderm cells in developing chick embryos. Our studies further establish that the levels of WLS, and not PORCN, are rate limiting with respect to WNT1 trafficking. Copyright © 2018. Published by Elsevier Inc.

Single crystal structure analyses of scheelite-powellite CaW1-xMoxO4 solidsolutions and unique occurrence in Jisyakuyama skarn deposits

NASA Astrophysics Data System (ADS)

Yamashita, K.; Yoshiasa, A.; Miyazaki, H.; Tokuda, M.; Tobase, T.; Isobe, H.; Nishiyama, T.; Sugiyama, K.; Miyawaki, R.

2017-12-01

Jisyakuyama skarn deposit, Fukuchi, Fukuoka, Japan, shows a simple occurrenceformed by penetration of hot water into limestone cracks. A unique occurrence of scheelite-powellite CaW1-xMoxO4 minerals is observed in the skarn deposit. Many syntheticexperiments for scheelite-powellite solid solutions have been reported as research onfluorescent materials. In this system it is known that a complete continuous solid solution isformed even at room temperature. In this study, we have carried out the chemical analyses,crystal structural refinements and detail description of occurrence on scheelite-powelliteminerals. We have also attempted synthesis of single crystal of solid solution in a widecomposition range. The chemical compositions were determined by JEOL scanningelectron microscope and EDS, INCA system. We have performed the crystal structurerefinements of the scheelite-powellite CaW1-xMoxO4 solid solutions (x=0.0-1.0) byRIGAKU single-crystal structure analysis system RAPID. The R and S values are around0.0s and 1.03. As the result of structural refinements of natural products and many solidsolutions, we confirm that most large natural single crystals have compositions at bothendmembers, and large solid solution crystals are rare. The lattice constants, interatomicdistances and other crystallographic parameters for the solid solution change uniquely withcomposition and it was confirmed as a continuous solid solution. Single crystals of scheeliteendmember + powellite endmember + solid solution with various compositions form anaggregate in the deposit (Figure 1). Crystal shapes of powellite and scheelite arehypidiomorphic and allotriomorphic, respectively. Many solid solution crystals areaccompanied by scheelite endmember and a compositional gap is observed betweenpowellite and solid-solution crystals. The presence of several penetration solutions withsignificantly different W and Mo contents may be assumed. This research can be expectedto lead to giving restrictive conditions to elucidate the mineralization process. Figure1. Scheelite + Powellite + solid solution aggregate

The direction of shift-work rotation impacts metabolic risk independent of chronotype and social jetlag--an exploratory pilot study.

PubMed

Kantermann, Thomas; Duboutay, Françoise; Haubruge, Damien; Hampton, Shelagh; Darling, Andrea L; Berry, Jacqueline L; Kerkhofs, Myriam; Boudjeltia, Karim Zouaoui; Skene, Debra J

2014-12-01

The aim of this pilot study was to explore the risk of metabolic abnormalities in steel workers employed in different shift-work rotations. Male workers in a steel factory [16 employed in a fast clockwise rotation (CW), 18 in slow counterclockwise rotation (CC), 9 day workers (DW); mean age 43.3 ± SD 6.8 years] with at least 5 years experience in their current work schedule participated. All workers provided fasting blood samples between 06:00 and 08:00 h for plasma glucose, insulin, apo-lipoproteins A and B (ApoA, ApoB), high- and low-density lipoproteins (HDL and LDL), total cholesterol (tCH), triglycerides (TG), minimally oxidized (mox) LDL, C-reactive protein (CRP), interleukin-8 (IL-8) and serum 25-hydroxyvitamin D (25(OH)D). HOMA index (homeostatic model assessment) was calculated to evaluate insulin resistance, beta cell function and risk of diabetes. Information on demographics, health, stimulants, sleep, social and work life, chronotype (phase of entrainment) and social jetlag (difference between mid-sleep on workdays and free days) as a surrogate for circadian disruption was collected by questionnaire. Neither chronotype nor social jetlag was associated with any of the metabolic risk blood markers. There were no significant differences in 25(OH)D, ApoA, ApoB, CRP, HDL, IL-8, insulin, LDL, mox-LDL, mox-LDL/ApoB ratio, tCH and TG levels between the three work groups. Although we did observe absolute differences in some of these markers, the small sample size of our study population might prevent these differences being statistically significant. Fasting glucose and HOMA index were significantly lower in CW compared to DW and CC, indicating lower metabolic risk. Reasons for the lower fasting glucose and HOMA index in CW workers remains to be clarified. Future studies of workers in different shift rotations are warranted to understand better the differential effects of shift-work on individual workers and their health indices.

Use of Metal Oxide Nanoparticle Band Gap to Develop a Predictive Paradigm for Oxidative Stress and Acute Pulmonary Inflammation

PubMed Central

Zhang, Haiyuan; Ji, Zhaoxia; Xia, Tian; Meng, Huan; Low-Kam, Cecile; Liu, Rong; Pokhrel, Suman; Lin, Sijie; Wang, Xiang; Liao, Yu-Pei; Wang, Meiying; Li, Linjiang; Rallo, Robert; Damoiseaux, Robert; Telesca, Donatello; Mädler, Lutz; Cohen, Yoram; Zink, Jeffrey I.; Nel, Andre E.

2014-01-01

We demonstrate for 24 metal oxide (MOx) nanoparticles that it is possible to use conduction band energy levels to delineate their toxicological potential at cellular and whole animal levels. Among the materials, the overlap of conduction band energy (Ec) levels with the cellular redox potential (−4.12 to −4.84 eV) was strongly correlated to the ability of Co3O4, Cr2O3, Ni2O3, Mn2O3 and CoO nanoparticles to induce oxygen radicals, oxidative stress and inflammation. This outcome is premised on permissible electron transfers from the biological redox couples that maintain the cellular redox equilibrium to the conduction band of the semiconductor particles. Both single parameter cytotoxic as well as multi-parameter oxidative stress assays in cells showed excellent correlation to the generation of acute neutrophilic inflammation and cytokine responses in the lungs of CB57 Bl/6 mice. Co3O4, Ni2O3, Mn2O3 and CoO nanoparticles could also oxidize cytochrome c as a representative redox couple involved in redox homeostasis. While CuO and ZnO generated oxidative stress and acute pulmonary inflammation that is not predicted by Ec levels, the adverse biological effects of these materials could be explained by their solubility, as demonstrated by ICP-MS analysis. Taken together, these results demonstrate, for the first time, that it is possible to predict the toxicity of a large series of MOx nanoparticles in the lung premised on semiconductor properties and an integrated in vitro/in vivo hazard ranking model premised on oxidative stress. This establishes a robust platform for modeling of MOx structure-activity relationships based on band gap energy levels and particle dissolution. This predictive toxicological paradigm is also of considerable importance for regulatory decision-making about this important class of engineered nanomaterials. PMID:22502734

Use of metal oxide nanoparticle band gap to develop a predictive paradigm for oxidative stress and acute pulmonary inflammation.

PubMed

Zhang, Haiyuan; Ji, Zhaoxia; Xia, Tian; Meng, Huan; Low-Kam, Cecile; Liu, Rong; Pokhrel, Suman; Lin, Sijie; Wang, Xiang; Liao, Yu-Pei; Wang, Meiying; Li, Linjiang; Rallo, Robert; Damoiseaux, Robert; Telesca, Donatello; Mädler, Lutz; Cohen, Yoram; Zink, Jeffrey I; Nel, Andre E

2012-05-22

We demonstrate for 24 metal oxide (MOx) nanoparticles that it is possible to use conduction band energy levels to delineate their toxicological potential at cellular and whole animal levels. Among the materials, the overlap of conduction band energy (E(c)) levels with the cellular redox potential (-4.12 to -4.84 eV) was strongly correlated to the ability of Co(3)O(4), Cr(2)O(3), Ni(2)O(3), Mn(2)O(3), and CoO nanoparticles to induce oxygen radicals, oxidative stress, and inflammation. This outcome is premised on permissible electron transfers from the biological redox couples that maintain the cellular redox equilibrium to the conduction band of the semiconductor particles. Both single-parameter cytotoxic as well as multi-parameter oxidative stress assays in cells showed excellent correlation to the generation of acute neutrophilic inflammation and cytokine responses in the lungs of C57 BL/6 mice. Co(3)O(4), Ni(2)O(3), Mn(2)O(3), and CoO nanoparticles could also oxidize cytochrome c as a representative redox couple involved in redox homeostasis. While CuO and ZnO generated oxidative stress and acute pulmonary inflammation that is not predicted by E(c) levels, the adverse biological effects of these materials could be explained by their solubility, as demonstrated by ICP-MS analysis. These results demonstrate that it is possible to predict the toxicity of a large series of MOx nanoparticles in the lung premised on semiconductor properties and an integrated in vitro/in vivo hazard ranking model premised on oxidative stress. This establishes a robust platform for modeling of MOx structure-activity relationships based on band gap energy levels and particle dissolution. This predictive toxicological paradigm is also of considerable importance for regulatory decision-making about this important class of engineered nanomaterials.

Progress in the Assessment of Waste-forms for the Immobilisation of UK Civil Plutonium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harrison, M.T.; Scales, C.R.; Maddrell, E.R.

The alternatives for the disposition of the UK's civil plutonium stocks are currently being investigated by Nexia Solutions Ltd. on behalf of the Nuclear Decommissioning Authority (NDA). A number of scenarios are currently being considered depending on the strategic requirements of the UK. The two main disposition options are: re-use as MOX (Mixed Oxide) fuel in reactors, or immobilisation in the event of any material being declared surplus to requirements. The amount of Pu which will require immobilisation will depend on future UK nuclear strategy, along with the extent of any stocks deemed unsuitable for re-use. However, it is likelymore » that some portion will have to be immobilised and therefore three credible waste-forms are under consideration; ceramic, glass and 'immobilisation' MOX. These are currently being developed and assessed in a systematic programme that involves periodic evaluation against a range of criteria. In this way, by down-selecting on the basis of robust and technical review, the most appropriate option for immobilising surplus civil plutonium in the UK can be recommended. The latest results from the immobilisation experimental programme are presented following the de-selection of the least favourable glass and ceramic candidates. The main criteria for this decision were waste loading, durability, processability, criticality and proliferation resistance. In addition, the durability of unirradiated MOX fuel is being examined to determine its potential as a wasteform for Pu, and recent leach test data is discussed. The current evaluation comprises not only a comparison of the relevant physical properties of the various waste-forms, but also key processing parameters, e.g. glass viscosity and melter technology, ceramic fabrication routes, and criticality issues. Other important aspects of the long-term behaviour of the waste-forms under consideration in a potential repository environment, such as radiation damage, criticality control and the properties of any neutron poisons present, are also included. (authors)« less

An assembler for the MOS Technology 6502 microprocessor as implemented in jolt (TM) and KIM-1 (TM)

NASA Technical Reports Server (NTRS)

Lilley, R. W.

1976-01-01

Design of low-cost, microcomputer-based navigation receivers, and the assembler are described. The development of computer software for microprocessors is materially aided by the assembler program using mnemonic variable names. The flexibility of the environment provided by the IBM's Virtual Machine Facility and the Conversational Monitor System, make possible the convenient assembler access. The implementation of the assembler for the microprocessor chip serves a part of the present need and forms a model for support of other microprocessors.

Kinetically controlled transition from disordered aggregates to ordered lattices of a computationally designed peptide sequence.

NASA Astrophysics Data System (ADS)

Tian, Yu; Zhang, Huixi; Kiick, Kristi; Saven, Jeffrey; Pochan, Darrin

Peptides with well-defined secondary-structures have the ability to exhibit specific, local shapes, which enables the design of complex nanostructures through intermolecular assembly. Our computationally designed coiled-coil homotetrameric peptide building block can self-assemble into 2-D nanomaterial lattices with predetermined symmetries by control of the coiled-coil bundle exterior amino acid residues. And the assemblies can be controlled kinetically. Firstly, the solution pH influences the assembly by affecting the external charged state of peptide bundles which can lead the bundles to be either repulsive or attractive to each other. At room temperature when peptides are under the least charged pH conditions, disordered aggregates are formed that slowly transformed into the desired 2-D lattice structures over long periods of time (weeks). Around neutral pH, even subtle charge differences that come from small pH changes can have an influence on the thickness of afterwards formed plates. Secondly, the solution temperature can largely eliminate the formation of disordered aggregates and accelerate the assembling of matured, desired nanomaterial plates by providing extra energy for the organization process of assembly building blocks. The ability to control the assembly process kinetically makes our peptide plate assemblies very promising templates for further applications to develop inorganic-organic hybrid materials. Funding acknowledged from NSF DMREF program under awards DMR-1234161 and DMR-1235084.

Effect of polarity of electric current on friction behavior of two gallium-lubricated tantalum slipring assemblies

NASA Technical Reports Server (NTRS)

Przybyszewski, J.

1972-01-01

Computer-processed data from low-speed (10 rpm) slipring experiments with two similar (but of opposite polarity) gallium-lubricated tantalum slipring assemblies (hemisphere against disk) carrying 50 amperes dc in vacuum (10 to the minus 9th power torr) showed that the slipring assembly with the anodic hemisphere had significantly lower peak-to-peak values and standard deviations of coefficient-of-friction samples (a measure of smoothness of operation) than the slipring assembly with the cathodic hemisphere. Similar data from an experiment with the same slipring assemblies running currentless showed more random differences in the frictional behavior between the two assemblies.

Comparing de novo genome assembly: the long and short of it.

PubMed

Narzisi, Giuseppe; Mishra, Bud

2011-04-29

Recent advances in DNA sequencing technology and their focal role in Genome Wide Association Studies (GWAS) have rekindled a growing interest in the whole-genome sequence assembly (WGSA) problem, thereby, inundating the field with a plethora of new formalizations, algorithms, heuristics and implementations. And yet, scant attention has been paid to comparative assessments of these assemblers' quality and accuracy. No commonly accepted and standardized method for comparison exists yet. Even worse, widely used metrics to compare the assembled sequences emphasize only size, poorly capturing the contig quality and accuracy. This paper addresses these concerns: it highlights common anomalies in assembly accuracy through a rigorous study of several assemblers, compared under both standard metrics (N50, coverage, contig sizes, etc.) as well as a more comprehensive metric (Feature-Response Curves, FRC) that is introduced here; FRC transparently captures the trade-offs between contigs' quality against their sizes. For this purpose, most of the publicly available major sequence assemblers--both for low-coverage long (Sanger) and high-coverage short (Illumina) reads technologies--are compared. These assemblers are applied to microbial (Escherichia coli, Brucella, Wolbachia, Staphylococcus, Helicobacter) and partial human genome sequences (Chr. Y), using sequence reads of various read-lengths, coverages, accuracies, and with and without mate-pairs. It is hoped that, based on these evaluations, computational biologists will identify innovative sequence assembly paradigms, bioinformaticists will determine promising approaches for developing "next-generation" assemblers, and biotechnologists will formulate more meaningful design desiderata for sequencing technology platforms. A new software tool for computing the FRC metric has been developed and is available through the AMOS open-source consortium.

Information management advanced development. Volume 1: Summary

NASA Technical Reports Server (NTRS)

Gerber, C. R.

1972-01-01

The information management systems designed for the modular space station are discussed. Subjects presented are: (1) communications terminal breadboard configuration, (2) digital data bus breadboard configuration, (3) data processing assembly definition, and (4) computer program (software) assembly definition.

Optimisation of assembly scheduling in VCIM systems using genetic algorithm

NASA Astrophysics Data System (ADS)

Dao, Son Duy; Abhary, Kazem; Marian, Romeo

2017-09-01

Assembly plays an important role in any production system as it constitutes a significant portion of the lead time and cost of a product. Virtual computer-integrated manufacturing (VCIM) system is a modern production system being conceptually developed to extend the application of traditional computer-integrated manufacturing (CIM) system to global level. Assembly scheduling in VCIM systems is quite different from one in traditional production systems because of the difference in the working principles of the two systems. In this article, the assembly scheduling problem in VCIM systems is modeled and then an integrated approach based on genetic algorithm (GA) is proposed to search for a global optimised solution to the problem. Because of dynamic nature of the scheduling problem, a novel GA with unique chromosome representation and modified genetic operations is developed herein. Robustness of the proposed approach is verified by a numerical example.

Computer-aided design of nano-filter construction using DNA self-assembly

NASA Astrophysics Data System (ADS)

Mohammadzadegan, Reza; Mohabatkar, Hassan

2007-01-01

Computer-aided design plays a fundamental role in both top-down and bottom-up nano-system fabrication. This paper presents a bottom-up nano-filter patterning process based on DNA self-assembly. In this study we designed a new method to construct fully designed nano-filters with the pores between 5 nm and 9 nm in diameter. Our calculations illustrated that by constructing such a nano-filter we would be able to separate many molecules.

Comparison of Accelerated Testing with Modeling to Predict Lifetime of CPV Solder Layers (Presentation)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silverman, T. J.; Bosco, N.; Kurtz, S.

2012-03-01

Concentrating photovoltaic (CPV) cell assemblies can fail due to thermomechanical fatigue in the die-attach layer. In this presentation, we show the latest results from our computational model of thermomechanical fatigue. The model is used to estimate the relative lifetime of cell assemblies exposed to various temperature histories consistent with service and with accelerated testing. We also present early results from thermal cycling experiments designed to help validate the computational model.

Water Ordering Controls the Dynamic Equilibrium of Micelle-Fiber Formation in Self-Assembly of Peptide Amphiphiles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deshmukh, Sanket; Solomon, Lee A.; Kamath, Ganesh

Understanding the role of water in governing the kinetics of the self-assembly processes of amphiphilic peptides has still remained elusive. Here, using a multi-stage atomistic-coarse-grained approach, complemented by circular dichroism/infra-red spectroscopy and dynamic light scattering experiments, we highlight the dual nature of water in dictating the mechanism and dynamics of self-assembly of peptide amphiphiles (PAs). Our computational study shows that (i) Water cage formation and breakage near the hydrophobic groups controls the fusion dynamics and aggregation of PAs in the micellar stage, and (ii) Enhanced structural ordering of vicinal water near the hydrophilic amino acids shifts the equilibrium towards themore » fiber phase and stimulates structure and order in the PAs when they assemble into a hexagonal nanofiber architecture. Finally, spectroscopy and microscopy studies authenticate our computational observation that water ordering near the PAs increases with increase in time. The measured infra-red O-H bond stretch frequency reminiscent of ice-like suggests that the solvated water becomes increasingly solid-like with increased structural order in the assembled peptide network – thus shedding light on the role of water in a self-assembly process.« less

Water Ordering Controls the Dynamic Equilibrium of Micelle-Fiber Formation in Self-Assembly of Peptide Amphiphiles

DOE PAGES

Deshmukh, Sanket; Solomon, Lee A.; Kamath, Ganesh; ...

2016-08-24

Understanding the role of water in governing the kinetics of the self-assembly processes of amphiphilic peptides has still remained elusive. Here, using a multi-stage atomistic-coarse-grained approach, complemented by circular dichroism/infra-red spectroscopy and dynamic light scattering experiments, we highlight the dual nature of water in dictating the mechanism and dynamics of self-assembly of peptide amphiphiles (PAs). Our computational study shows that (i) Water cage formation and breakage near the hydrophobic groups controls the fusion dynamics and aggregation of PAs in the micellar stage, and (ii) Enhanced structural ordering of vicinal water near the hydrophilic amino acids shifts the equilibrium towards themore » fiber phase and stimulates structure and order in the PAs when they assemble into a hexagonal nanofiber architecture. Finally, spectroscopy and microscopy studies authenticate our computational observation that water ordering near the PAs increases with increase in time. The measured infra-red O-H bond stretch frequency reminiscent of ice-like suggests that the solvated water becomes increasingly solid-like with increased structural order in the assembled peptide network – thus shedding light on the role of water in a self-assembly process.« less

Mapping Flexibility and the Assembly Switch of Cell Division Protein FtsZ by Computational and Mutational Approaches*♦

PubMed Central

Martín-Galiano, Antonio J.; Buey, Rubén M.; Cabezas, Marta; Andreu, José M.

2010-01-01

The molecular switch for nucleotide-regulated assembly and disassembly of the main prokaryotic cell division protein FtsZ is unknown despite the numerous crystal structures that are available. We have characterized the functional motions in FtsZ with a computational consensus of essential dynamics, structural comparisons, sequence conservation, and networks of co-evolving residues. Employing this information, we have constructed 17 mutants, which alter the FtsZ functional cycle at different stages, to modify FtsZ flexibility. The mutant phenotypes ranged from benign to total inactivation and included increased GTPase, reduced assembly, and stabilized assembly. Six mutations clustering at the long cleft between the C-terminal β-sheet and core helix H7 deviated FtsZ assembly into curved filaments with inhibited GTPase, which still polymerize cooperatively. These mutations may perturb the predicted closure of the C-terminal domain onto H7 required for switching between curved and straight association modes and for GTPase activation. By mapping the FtsZ assembly switch, this work also gives insight into FtsZ druggability because the curved mutations delineate the putative binding site of the promising antibacterial FtsZ inhibitor PC190723. PMID:20472561

Mapping flexibility and the assembly switch of cell division protein FtsZ by computational and mutational approaches.

PubMed

Martín-Galiano, Antonio J; Buey, Rubén M; Cabezas, Marta; Andreu, José M

2010-07-16

The molecular switch for nucleotide-regulated assembly and disassembly of the main prokaryotic cell division protein FtsZ is unknown despite the numerous crystal structures that are available. We have characterized the functional motions in FtsZ with a computational consensus of essential dynamics, structural comparisons, sequence conservation, and networks of co-evolving residues. Employing this information, we have constructed 17 mutants, which alter the FtsZ functional cycle at different stages, to modify FtsZ flexibility. The mutant phenotypes ranged from benign to total inactivation and included increased GTPase, reduced assembly, and stabilized assembly. Six mutations clustering at the long cleft between the C-terminal beta-sheet and core helix H7 deviated FtsZ assembly into curved filaments with inhibited GTPase, which still polymerize cooperatively. These mutations may perturb the predicted closure of the C-terminal domain onto H7 required for switching between curved and straight association modes and for GTPase activation. By mapping the FtsZ assembly switch, this work also gives insight into FtsZ druggability because the curved mutations delineate the putative binding site of the promising antibacterial FtsZ inhibitor PC190723.

Modeling the assembly order of multimeric heteroprotein complexes

PubMed Central

Esquivel-Rodriguez, Juan; Terashi, Genki; Christoffer, Charles; Shin, Woong-Hee

2018-01-01

Protein-protein interactions are the cornerstone of numerous biological processes. Although an increasing number of protein complex structures have been determined using experimental methods, relatively fewer studies have been performed to determine the assembly order of complexes. In addition to the insights into the molecular mechanisms of biological function provided by the structure of a complex, knowing the assembly order is important for understanding the process of complex formation. Assembly order is also practically useful for constructing subcomplexes as a step toward solving the entire complex experimentally, designing artificial protein complexes, and developing drugs that interrupt a critical step in the complex assembly. There are several experimental methods for determining the assembly order of complexes; however, these techniques are resource-intensive. Here, we present a computational method that predicts the assembly order of protein complexes by building the complex structure. The method, named Path-LzerD, uses a multimeric protein docking algorithm that assembles a protein complex structure from individual subunit structures and predicts assembly order by observing the simulated assembly process of the complex. Benchmarked on a dataset of complexes with experimental evidence of assembly order, Path-LZerD was successful in predicting the assembly pathway for the majority of the cases. Moreover, when compared with a simple approach that infers the assembly path from the buried surface area of subunits in the native complex, Path-LZerD has the strong advantage that it can be used for cases where the complex structure is not known. The path prediction accuracy decreased when starting from unbound monomers, particularly for larger complexes of five or more subunits, for which only a part of the assembly path was correctly identified. As the first method of its kind, Path-LZerD opens a new area of computational protein structure modeling and will be an indispensable approach for studying protein complexes. PMID:29329283

Modeling the assembly order of multimeric heteroprotein complexes.

PubMed

Peterson, Lenna X; Togawa, Yoichiro; Esquivel-Rodriguez, Juan; Terashi, Genki; Christoffer, Charles; Roy, Amitava; Shin, Woong-Hee; Kihara, Daisuke

2018-01-01

Protein-protein interactions are the cornerstone of numerous biological processes. Although an increasing number of protein complex structures have been determined using experimental methods, relatively fewer studies have been performed to determine the assembly order of complexes. In addition to the insights into the molecular mechanisms of biological function provided by the structure of a complex, knowing the assembly order is important for understanding the process of complex formation. Assembly order is also practically useful for constructing subcomplexes as a step toward solving the entire complex experimentally, designing artificial protein complexes, and developing drugs that interrupt a critical step in the complex assembly. There are several experimental methods for determining the assembly order of complexes; however, these techniques are resource-intensive. Here, we present a computational method that predicts the assembly order of protein complexes by building the complex structure. The method, named Path-LzerD, uses a multimeric protein docking algorithm that assembles a protein complex structure from individual subunit structures and predicts assembly order by observing the simulated assembly process of the complex. Benchmarked on a dataset of complexes with experimental evidence of assembly order, Path-LZerD was successful in predicting the assembly pathway for the majority of the cases. Moreover, when compared with a simple approach that infers the assembly path from the buried surface area of subunits in the native complex, Path-LZerD has the strong advantage that it can be used for cases where the complex structure is not known. The path prediction accuracy decreased when starting from unbound monomers, particularly for larger complexes of five or more subunits, for which only a part of the assembly path was correctly identified. As the first method of its kind, Path-LZerD opens a new area of computational protein structure modeling and will be an indispensable approach for studying protein complexes.

Pattern formation in binary colloidal assemblies: hidden symmetries in a kaleidoscope of structures.

PubMed

Lotito, Valeria; Zambelli, Tomaso

2018-06-10

In this study we present a detailed investigation of the morphology of binary colloidal structures formed by self-assembly at air/water interface of particles of two different sizes, with a size ratio such that the larger particles do not retain a hexagonal arrangement in the binary assembly. While the structure and symmetry of binary mixtures in which such hexagonal order is preserved has been thoroughly scrutinized, binary colloids in the regime of non-preservation of the hexagonal order have not been examined with the same level of detail due also to the difficulty in finding analysis tools suitable to recognize hidden symmetries in seemingly amorphous and disordered arrangements. For this purpose, we resorted to a combination of different analysis tools based on computational geometry and computational topology in order to get a comprehensive picture of the morphology of the assemblies. By carrying out an extensive investigation of binary assemblies in this regime with variable concentration of smaller particles with respect to larger particles, we identify the main patterns that coexist in the apparently disordered assemblies and detect transitions in the symmetries upon increase in the number of small particles. As the concentration of small particles increases, large particle arrangements become more dilute and a transition from hexagonal to rhombic and square symmetries occurs, accompanied also by an increase in clusters of small particles; the relative weight of each specific symmetry can be controlled by varying the composition of the assemblies. The demonstration of the possibility to control the morphology of apparently disordered binary colloidal assemblies by varying experimental conditions and the definition of a route for the investigation of disordered assemblies are precious for future studies of complex colloidal patterns to understand self-assembly mechanisms and to tailor physical properties of colloidal assemblies.

MetAMOS: a modular and open source metagenomic assembly and analysis pipeline

PubMed Central

2013-01-01

We describe MetAMOS, an open source and modular metagenomic assembly and analysis pipeline. MetAMOS represents an important step towards fully automated metagenomic analysis, starting with next-generation sequencing reads and producing genomic scaffolds, open-reading frames and taxonomic or functional annotations. MetAMOS can aid in reducing assembly errors, commonly encountered when assembling metagenomic samples, and improves taxonomic assignment accuracy while also reducing computational cost. MetAMOS can be downloaded from: https://github.com/treangen/MetAMOS. PMID:23320958

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aleman, S.E.

The task was to compute the maximum aluminum-oxide and oxide-coolant temperatures of assemblies cladded in 99+ percent aluminum. The assemblies considered were the Mark VB, VE, V5, 15 and 25. These assemblies consist of nested slug columns with individual uranium slugs cladded in aluminum cans. The CREDIT code was modified to calculate the oxide film thickness and the aluminum-oxide temperature at each axial increment. This information in this report will be used to evaluate the potential for cladding corrosion of the Mark 25 assembly.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aleman, S.E.

The task was to compute the maximum aluminum-oxide and oxide-coolant temperatures of assemblies cladded in 99 plus percent aluminum. The assemblies considered were the Mark VB, VE, V5, 15 and 25. These assemblies consist of nested slug columns with individual uranium slugs cladded in aluminum cans. The CREDIT code was modified to calculate the oxide film thickness and the aluminum-oxide temperature at each axial increment. The information in this report will be used to evaluate the potential for cladding corrosion of the Mark 25 assembly.

Computing Legacy Software Behavior to Understand Functionality and Security Properties: An IBM/370 Demonstration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linger, Richard C; Pleszkoch, Mark G; Prowell, Stacy J

Organizations maintaining mainframe legacy software can benefit from code modernization and incorporation of security capabilities to address the current threat environment. Oak Ridge National Laboratory is developing the Hyperion system to compute the behavior of software as a means to gain understanding of software functionality and security properties. Computation of functionality is critical to revealing security attributes, which are in fact specialized functional behaviors of software. Oak Ridge is collaborating with MITRE Corporation to conduct a demonstration project to compute behavior of legacy IBM Assembly Language code for a federal agency. The ultimate goal is to understand functionality and securitymore » vulnerabilities as a basis for code modernization. This paper reports on the first phase, to define functional semantics for IBM Assembly instructions and conduct behavior computation experiments.« less

Implementing the UCSD PASCAL system on the MODCOMP computer. [deep space network

NASA Technical Reports Server (NTRS)

Wolfe, T.

1980-01-01

The implementation of an interactive software development system (UCSD PASCAL) on the MODCOMP computer is discussed. The development of an interpreter for the MODCOMP II and the MODCOMP IV computers, written in MODCOMP II assembly language, is described. The complete Pascal programming system was run successfully on a MODCOMP II and MODCOMP IV under both the MAX II/III and MAX IV operating systems. The source code for an 8080 microcomputer version of the interpreter was used as the design for the MODCOMP interpreter. A mapping of the functions within the 8080 interpreter into MODCOMP II assembly language was the method used to code the interpreter.

Metagenomic Assembly: Overview, Challenges and Applications

PubMed Central

Ghurye, Jay S.; Cepeda-Espinoza, Victoria; Pop, Mihai

2016-01-01

Advances in sequencing technologies have led to the increased use of high throughput sequencing in characterizing the microbial communities associated with our bodies and our environment. Critical to the analysis of the resulting data are sequence assembly algorithms able to reconstruct genes and organisms from complex mixtures. Metagenomic assembly involves new computational challenges due to the specific characteristics of the metagenomic data. In this survey, we focus on major algorithmic approaches for genome and metagenome assembly, and discuss the new challenges and opportunities afforded by this new field. We also review several applications of metagenome assembly in addressing interesting biological problems. PMID:27698619

Self-assembled Nanomaterials for Hybrid Electronic and Photonic Systems

DTIC Science & Technology

2015-05-15

storage media.  Project 3. Self‐assembling Circuit Defect Modeling The self‐assembly of  nanoelectronic  devices provide an opportunity to achieve... nanoelectronics . This work will be useful in predicting the potential success of defect‐ tolerance techniques for DNA self‐assembled  nanoelectronic  substrates...program with integrated circuit emphasis simulations for DNA self-assembled nanoelectronics ." IET Computers and Digital Techniques 3, no. 6 (2009): 553-569.        

A whole-genome shotgun approach for assembling and anchoring the hexaploid bread wheat genome

DOE PAGES

Chapman, Jarrod A.; Mascher, Martin; Buluc, Aydin; ...

2015-01-31

We report that polyploid species have long been thought to be recalcitrant to whole-genome assembly. By combining high-throughput sequencing, recent developments in parallel computing, and genetic mapping, we derive, de novo, a sequence assembly representing 9.1 Gbp of the highly repetitive 16 Gbp genome of hexaploid wheat, Triticum aestivum, and assign 7.1 Gb of this assembly to chromosomal locations. The genome representation and accuracy of our assembly is comparable or even exceeds that of a chromosome-by-chromosome shotgun assembly. Our assembly and mapping strategy uses only short read sequencing technology and is applicable to any species where it is possible tomore » construct a mapping population.« less

A whole-genome shotgun approach for assembling and anchoring the hexaploid bread wheat genome

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chapman, Jarrod A.; Mascher, Martin; Buluc, Aydin

We report that polyploid species have long been thought to be recalcitrant to whole-genome assembly. By combining high-throughput sequencing, recent developments in parallel computing, and genetic mapping, we derive, de novo, a sequence assembly representing 9.1 Gbp of the highly repetitive 16 Gbp genome of hexaploid wheat, Triticum aestivum, and assign 7.1 Gb of this assembly to chromosomal locations. The genome representation and accuracy of our assembly is comparable or even exceeds that of a chromosome-by-chromosome shotgun assembly. Our assembly and mapping strategy uses only short read sequencing technology and is applicable to any species where it is possible tomore » construct a mapping population.« less

Thermal Hydraulic Computational Fluid Dynamics Simulations and Experimental Investigation of Deformed Fuel Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mays, Brian; Jackson, R. Brian

2017-03-08

The project, Toward a Longer Life Core: Thermal Hydraulic CFD Simulations and Experimental Investigation of Deformed Fuel Assemblies, DOE Project code DE-NE0008321, was a verification and validation project for flow and heat transfer through wire wrapped simulated liquid metal fuel assemblies that included both experiments and computational fluid dynamics simulations of those experiments. This project was a two year collaboration between AREVA, TerraPower, Argonne National Laboratory and Texas A&M University. Experiments were performed by AREVA and Texas A&M University. Numerical simulations of these experiments were performed by TerraPower and Argonne National Lab. Project management was performed by AREVA Federal Services.more » The first of a kind project resulted in the production of both local point temperature measurements and local flow mixing experiment data paired with numerical simulation benchmarking of the experiments. The project experiments included the largest wire-wrapped pin assembly Mass Index of Refraction (MIR) experiment in the world, the first known wire-wrapped assembly experiment with deformed duct geometries and the largest numerical simulations ever produced for wire-wrapped bundles.« less

Application of X-Ray Computer Tomography for Observing the Central Void Formations and the Fuel Pin Deformations of Irradiated FBR Fuel Assemblies

NASA Astrophysics Data System (ADS)

Katsuyama, Kozo; Nagamine, Tsuyoshi; Furuya, Hirotaka

2010-10-01

In order to observe the structural change in the interior of irradiated fuel assemblies, a non-destructive post-irradiation examination (PIE) technique using X-ray computer tomography (X-ray CT) was developed. This X-ray CT technique was applied to observe the central void formations and fuel pin deformations of fuel assemblies which had been irradiated at high linear heat rating. The central void sizes in all fuel pins were measured on five cross sections of the core fuel column as a parameter for evaluating fuel thermal performance. In addition, the fuel pin deformations were analyzed from X-ray CT images obtained along the axial direction of a fuel assembly at the same separation interval. A dependence of void size on the linear heat rating was seen in the fuel assembly irradiated at high linear heat rating. In addition, significant undulations of the fuel pin were observed along the axial direction, coinciding with the wrapping wire pitch in the core fuel column. Application of the developed technique should provide enhanced resolution of measurements and simplify fuel PIEs.

Self-assembled nanocages based on the coiled coil bundle motif

NASA Astrophysics Data System (ADS)

Sinha, Nairiti; Villegas, Jose; Saven, Jeffery; Kiick, Kristi; Pochan, Darrin

Computational design of coiled coil peptide bundles that undergo solution phase self-assembly presents a diverse toolbox for engineering new materials with tunable and pre-determined nanostructures that can have various end applications such as in drug delivery, biomineralization and electronics. Self-assembled cages are especially advantageous as the cage geometry provides three distinct functional sites: the interior, the exterior and the solvent-cage interface. In this poster, syntheses and characterization of a peptide cage based on computationally designed homotetrameric coiled coil bundles as building blocks is discussed. Techniques such as Transmission Electron Microscopy (TEM), Small-Angle Neutron Scattering (SANS) and Analytical Ultracentrifugation (AUC) are employed to characterize the size, shape and molecular weight of the self-assembled peptide cages under different pH and temperature conditions. Various self-assembly pathways such as dialysis and thermal quenching are shown to have a significant impact on the final structure of these peptides in solution. Comparison of results with the target cage design can be used to iteratively improve the peptide design and provide greater understanding of its interactions and folding.

A Survey of Robotic Technology.

DTIC Science & Technology

1983-07-01

developed the following definition of a robot: A robot is a reprogrammable multifunctional manipulator designed to move material, parts, tools, or specialized...subroutines subroutines commands to specific actuators, computations based on sensor data, etc. For instance, the job might be to assemble an automobile ...the set-up developed at Draper Labs to enable a robot to assemble an automobile alternator. The assembly operation is impressive to watch. The number

Berthing mechanism final test report and program assessment

NASA Technical Reports Server (NTRS)

1988-01-01

The purpose is to document the testing performed on both hardware and software developed under the Space Station Berthing Mechanisms Program. Testing of the mechanism occurred at three locations. Several system components, e.g., actuators and computer systems, were functionally tested before assembly. A series of post assembly tests were performed. The post assembly tests, as well as the dynamic testing of the mechanism, are presented.

Advanced On-Board Processor (AOP). [for future spacecraft applications

NASA Technical Reports Server (NTRS)

1973-01-01

Advanced On-board Processor the (AOP) uses large scale integration throughout and is the most advanced space qualified computer of its class in existence today. It was designed to satisfy most spacecraft requirements which are anticipated over the next several years. The AOP design utilizes custom metallized multigate arrays (CMMA) which have been designed specifically for this computer. This approach provides the most efficient use of circuits, reduces volume, weight, assembly costs and provides for a significant increase in reliability by the significant reduction in conventional circuit interconnections. The required 69 CMMA packages are assembled on a single multilayer printed circuit board which together with associated connectors constitutes the complete AOP. This approach also reduces conventional interconnections thus further reducing weight, volume and assembly costs.

Variation simulation for compliant sheet metal assemblies with applications

NASA Astrophysics Data System (ADS)

Long, Yufeng

Sheet metals are widely used in discrete products, such as automobiles, aircraft, furniture and electronics appliances, due to their good manufacturability and low cost. A typical automotive body assembly consists of more than 300 parts welded together in more than 200 assembly fixture stations. Such an assembly system is usually quite complex, and takes a long time to develop. As the automotive customer demands products of increasing quality in a shorter time, engineers in automotive industry turn to computer-aided engineering (CAE) tools for help. Computers are an invaluable resource for engineers, not only to simplify and automate the design process, but also to share design specifications with manufacturing groups so that production systems can be tooled up quickly and efficiently. Therefore, it is beneficial to develop computerized simulation and evaluation tools for development of automotive body assembly systems. It is a well-known fact that assembly architectures (joints, fixtures, and assembly lines) have a profound impact on dimensional quality of compliant sheet metal assemblies. To evaluate sheet metal assembly architectures, a special dimensional analysis tool need be developed for predicting dimensional variation of the assembly. Then, the corresponding systematic tools can be established to help engineers select the assembly architectures. In this dissertation, a unified variation model is developed to predict variation in compliant sheet metal assemblies by considering fixture-induced rigid-body motion, deformation and springback. Based on the unified variation model, variation propagation models in multiple assembly stations with various configurations are established. To evaluate the dimensional capability of assembly architectures, quantitative indices are proposed based on the sensitivity matrix, which are independent of the variation level of the process. Examples are given to demonstrate their applications in selecting robust assembly architectures, and some useful guidelines for selection of assembly architectures are summarized. In addition, to enhance the fault diagnosis, a systematic methodology is proposed for selection of measurement configurations. Specifically, principles involved in selecting measurements are generalized first; then, the corresponding quantitative indices are developed to evaluate the measurement configurations, and finally, examples are present.

Modeling Viral Capsid Assembly

PubMed Central

2014-01-01

I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to molecular dynamics simulations, and I give an overview of some of the important conclusions about virus assembly that have resulted from these modeling efforts. Topics include the assembly of empty viral shells, assembly around single-stranded nucleic acids to form viral particles, and assembly around synthetic polymers or charged nanoparticles for nanotechnology or biomedical applications. I present some examples in which modeling efforts have promoted experimental breakthroughs, as well as directions in which the connection between modeling and experiment can be strengthened. PMID:25663722

Feedback Inhibition Shapes Emergent Computational Properties of Cortical Microcircuit Motifs.

PubMed

Jonke, Zeno; Legenstein, Robert; Habenschuss, Stefan; Maass, Wolfgang

2017-08-30

Cortical microcircuits are very complex networks, but they are composed of a relatively small number of stereotypical motifs. Hence, one strategy for throwing light on the computational function of cortical microcircuits is to analyze emergent computational properties of these stereotypical microcircuit motifs. We are addressing here the question how spike timing-dependent plasticity shapes the computational properties of one motif that has frequently been studied experimentally: interconnected populations of pyramidal cells and parvalbumin-positive inhibitory cells in layer 2/3. Experimental studies suggest that these inhibitory neurons exert some form of divisive inhibition on the pyramidal cells. We show that this data-based form of feedback inhibition, which is softer than that of winner-take-all models that are commonly considered in theoretical analyses, contributes to the emergence of an important computational function through spike timing-dependent plasticity: The capability to disentangle superimposed firing patterns in upstream networks, and to represent their information content through a sparse assembly code. SIGNIFICANCE STATEMENT We analyze emergent computational properties of a ubiquitous cortical microcircuit motif: populations of pyramidal cells that are densely interconnected with inhibitory neurons. Simulations of this model predict that sparse assembly codes emerge in this microcircuit motif under spike timing-dependent plasticity. Furthermore, we show that different assemblies will represent different hidden sources of upstream firing activity. Hence, we propose that spike timing-dependent plasticity enables this microcircuit motif to perform a fundamental computational operation on neural activity patterns. Copyright © 2017 the authors 0270-6474/17/378511-13$15.00/0.

Electron beam diagnostic for profiling high power beams

DOEpatents

Elmer, John W [Danville, CA; Palmer, Todd A [Livermore, CA; Teruya, Alan T [Livermore, CA

2008-03-25

A system for characterizing high power electron beams at power levels of 10 kW and above is described. This system is comprised of a slit disk assembly having a multitude of radial slits, a conducting disk with the same number of radial slits located below the slit disk assembly, a Faraday cup assembly located below the conducting disk, and a start-stop target located proximate the slit disk assembly. In order to keep the system from over-heating during use, a heat sink is placed in close proximity to the components discussed above, and an active cooling system, using water, for example, can be integrated into the heat sink. During use, the high power beam is initially directed onto a start-stop target and after reaching its full power is translated around the slit disk assembly, wherein the beam enters the radial slits and the conducting disk radial slits and is detected at the Faraday cup assembly. A trigger probe assembly can also be integrated into the system in order to aid in the determination of the proper orientation of the beam during reconstruction. After passing over each of the slits, the beam is then rapidly translated back to the start-stop target to minimize the amount of time that the high power beam comes in contact with the slit disk assembly. The data obtained by the system is then transferred into a computer system, where a computer tomography algorithm is used to reconstruct the power density distribution of the beam.

Building polyhedra by self-assembly: theory and experiment.

PubMed

Kaplan, Ryan; Klobušický, Joseph; Pandey, Shivendra; Gracias, David H; Menon, Govind

2014-01-01

We investigate the utility of a mathematical framework based on discrete geometry to model biological and synthetic self-assembly. Our primary biological example is the self-assembly of icosahedral viruses; our synthetic example is surface-tension-driven self-folding polyhedra. In both instances, the process of self-assembly is modeled by decomposing the polyhedron into a set of partially formed intermediate states. The set of all intermediates is called the configuration space, pathways of assembly are modeled as paths in the configuration space, and the kinetics and yield of assembly are modeled by rate equations, Markov chains, or cost functions on the configuration space. We review an interesting interplay between biological function and mathematical structure in viruses in light of this framework. We discuss in particular: (i) tiling theory as a coarse-grained description of all-atom models; (ii) the building game-a growth model for the formation of polyhedra; and (iii) the application of these models to the self-assembly of the bacteriophage MS2. We then use a similar framework to model self-folding polyhedra. We use a discrete folding algorithm to compute a configuration space that idealizes surface-tension-driven self-folding and analyze pathways of assembly and dominant intermediates. These computations are then compared with experimental observations of a self-folding dodecahedron with side 300 μm. In both models, despite a combinatorial explosion in the size of the configuration space, a few pathways and intermediates dominate self-assembly. For self-folding polyhedra, the dominant intermediates have fewer degrees of freedom than comparable intermediates, and are thus more rigid. The concentration of assembly pathways on a few intermediates with distinguished geometric properties is biologically and physically important, and suggests deeper mathematical structure.

Genome Partitioner: A web tool for multi-level partitioning of large-scale DNA constructs for synthetic biology applications.

PubMed

Christen, Matthias; Del Medico, Luca; Christen, Heinz; Christen, Beat

2017-01-01

Recent advances in lower-cost DNA synthesis techniques have enabled new innovations in the field of synthetic biology. Still, efficient design and higher-order assembly of genome-scale DNA constructs remains a labor-intensive process. Given the complexity, computer assisted design tools that fragment large DNA sequences into fabricable DNA blocks are needed to pave the way towards streamlined assembly of biological systems. Here, we present the Genome Partitioner software implemented as a web-based interface that permits multi-level partitioning of genome-scale DNA designs. Without the need for specialized computing skills, biologists can submit their DNA designs to a fully automated pipeline that generates the optimal retrosynthetic route for higher-order DNA assembly. To test the algorithm, we partitioned a 783 kb Caulobacter crescentus genome design. We validated the partitioning strategy by assembling a 20 kb test segment encompassing a difficult to synthesize DNA sequence. Successful assembly from 1 kb subblocks into the 20 kb segment highlights the effectiveness of the Genome Partitioner for reducing synthesis costs and timelines for higher-order DNA assembly. The Genome Partitioner is broadly applicable to translate DNA designs into ready to order sequences that can be assembled with standardized protocols, thus offering new opportunities to harness the diversity of microbial genomes for synthetic biology applications. The Genome Partitioner web tool can be accessed at https://christenlab.ethz.ch/GenomePartitioner.

A Framework for the Development of Automatic DFA Method to Minimize the Number of Components and Assembly Reorientations

NASA Astrophysics Data System (ADS)

Alfadhlani; Samadhi, T. M. A. Ari; Ma’ruf, Anas; Setiasyah Toha, Isa

2018-03-01

Assembly is a part of manufacturing processes that must be considered at the product design stage. Design for Assembly (DFA) is a method to evaluate product design in order to make it simpler, easier and quicker to assemble, so that assembly cost is reduced. This article discusses a framework for developing a computer-based DFA method. The method is expected to aid product designer to extract data, evaluate assembly process, and provide recommendation for the product design improvement. These three things are desirable to be performed without interactive process or user intervention, so product design evaluation process could be done automatically. Input for the proposed framework is a 3D solid engineering drawing. Product design evaluation is performed by: minimizing the number of components; generating assembly sequence alternatives; selecting the best assembly sequence based on the minimum number of assembly reorientations; and providing suggestion for design improvement.

Distributed collaborative probabilistic design for turbine blade-tip radial running clearance using support vector machine of regression

NASA Astrophysics Data System (ADS)

Fei, Cheng-Wei; Bai, Guang-Chen

2014-12-01

To improve the computational precision and efficiency of probabilistic design for mechanical dynamic assembly like the blade-tip radial running clearance (BTRRC) of gas turbine, a distribution collaborative probabilistic design method-based support vector machine of regression (SR)(called as DCSRM) is proposed by integrating distribution collaborative response surface method and support vector machine regression model. The mathematical model of DCSRM is established and the probabilistic design idea of DCSRM is introduced. The dynamic assembly probabilistic design of aeroengine high-pressure turbine (HPT) BTRRC is accomplished to verify the proposed DCSRM. The analysis results reveal that the optimal static blade-tip clearance of HPT is gained for designing BTRRC, and improving the performance and reliability of aeroengine. The comparison of methods shows that the DCSRM has high computational accuracy and high computational efficiency in BTRRC probabilistic analysis. The present research offers an effective way for the reliability design of mechanical dynamic assembly and enriches mechanical reliability theory and method.

77 FR 65208 - Notice of Consideration of Approval of Application Regarding Proposed Indirect Transfer of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-25

..., which is currently under review. In its August 30, 2012, application, MOX Services proposes to make... of the proceeding, and is material to the findings that NRC must make to support the granting of a... permitted to make a limited appearance pursuant to the provisions of 10 CFR 2.315(a), by making an oral or...

77 FR 1920 - Second Amended Notice of Intent To Modify the Scope of the Surplus Plutonium Disposition...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-12

... suitable for MOX fuel fabrication is disposal at the Waste Isolation Pilot Plant (WIPP) in New Mexico... Waste Processing Facility at SRS or disposal at the Waste Isolation Pilot Plant (WIPP) in New Mexico. On... are safety (criticality) limits on how much plutonium can be sent to the Defense Waste Processing...

Fuel cycle cost uncertainty from nuclear fuel cycle comparison

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; McNelis, D.; Yim, M.S.

2013-07-01

This paper examined the uncertainty in fuel cycle cost (FCC) calculation by considering both model and parameter uncertainty. Four different fuel cycle options were compared in the analysis including the once-through cycle (OT), the DUPIC cycle, the MOX cycle and a closed fuel cycle with fast reactors (FR). The model uncertainty was addressed by using three different FCC modeling approaches with and without the time value of money consideration. The relative ratios of FCC in comparison to OT did not change much by using different modeling approaches. This observation was consistent with the results of the sensitivity study for themore » discount rate. Two different sets of data with uncertainty range of unit costs were used to address the parameter uncertainty of the FCC calculation. The sensitivity study showed that the dominating contributor to the total variance of FCC is the uranium price. In general, the FCC of OT was found to be the lowest followed by FR, MOX, and DUPIC. But depending on the uranium price, the FR cycle was found to have lower FCC over OT. The reprocessing cost was also found to have a major impact on FCC.« less

TREFEX: Trend Estimation and Change Detection in the Response of MOX Gas Sensors

PubMed Central

Pashami, Sepideh; Lilienthal, Achim J.; Schaffernicht, Erik; Trincavelli, Marco

2013-01-01

Many applications of metal oxide gas sensors can benefit from reliable algorithms to detect significant changes in the sensor response. Significant changes indicate a change in the emission modality of a distant gas source and occur due to a sudden change of concentration or exposure to a different compound. As a consequence of turbulent gas transport and the relatively slow response and recovery times of metal oxide sensors, their response in open sampling configuration exhibits strong fluctuations that interfere with the changes of interest. In this paper we introduce TREFEX, a novel change point detection algorithm, especially designed for metal oxide gas sensors in an open sampling system. TREFEX models the response of MOX sensors as a piecewise exponential signal and considers the junctions between consecutive exponentials as change points. We formulate non-linear trend filtering and change point detection as a parameter-free convex optimization problem for single sensors and sensor arrays. We evaluate the performance of the TREFEX algorithm experimentally for different metal oxide sensors and several gas emission profiles. A comparison with the previously proposed GLR method shows a clearly superior performance of the TREFEX algorithm both in detection performance and in estimating the change time. PMID:23736853

CASMO5 JENDL-4.0 and ENDF/B-VII.1beta4 libraries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rhodes, J.; Gheorghiu, N.; Ferrer, R.

2012-07-01

This paper details the generation of neutron data libraries for the CASMO5 lattice physics code based on the recently released JENDL-4.0 and ENDF/B-VII.1beta4 nuclear data evaluations. This data represents state-of-the-art nuclear data for late-2011. The key features of the new evaluations are briefly described along with the procedure for processing of this data into CASMO5, 586-energy group neutron data libraries. Finally some CASMO5 results for standard UO{sub 2} and MOX critical experiments for the two new libraries and the current ENDF/B-VII.0 CASMO5 library are presented including the B and W 1810 series, DIMPLE S06A, S06B, TCA reflector criticals with ironmore » plates and the PNL-30-35 MOX criticals. The results show that CASMO5 with the new libraries is performing well for these criticals with a very slight edge in results to the JENDL-4.0 nuclear data evaluation over the ENDF/B-VII.1beta4 evaluation. Work is currently underway to generate a CASMO5 library based on the final ENDF/B-VII.R1 evaluation released Dec. 22, 2011. (authors)« less

Catalytic oxidation of low-concentration CO at ambient temperature over supported Pd-Cu catalysts.

PubMed

Wang, Fagen; Zhang, Haojie; He, Dannong

2014-01-01

The CO catalytic oxidation at ambient temperature and high space velocity was studied over the Pd-Cu/MOx (MOx = TiO2 and AI203) catalysts. The higher Brunauer-Emmett-Teller area surface of the A1203 support facilitates the dispersion of Pd2+ species, and the presence of Cu2Cl(OH)3 accelerates the re-oxidation of Pd0 to Pd2+ over the Pd-Cu/Al203 catalyst, which contributed to better performance of CO catalytic oxidation. The poorer activity of the Pd-Cu/TiO2 catalyst was attributed to the lower dispersion of Pd2+ species because of the less surface area and the non-formation of Cu2CI(OH)3 species. The presence of saturated moisture showed a negative effect on CO conversion over the two catalysts. This might be because of the competitive adsorption, the formation of carbonate species and the transformation of Cu2CI(OH)3 to inactive CuCI over the Pd-Cu/AI2O3 catalyst, which facilitates the aggregation of PdO species over the Pd-Cu/TiO2 catalyst under the moisture condition.

Pipette-tip solid-phase extraction using poly(1-vinylimidazole-co-trimethylolpropane trimethacrylate) as a new molecularly imprinted polymer in the determination of avermectins and milbemycins in fruit juice and water samples.

PubMed

Teixeira, Roseane Andrade; Flores, Diego Hernando Ângulo; da Silva, Ricky Cássio Santos; Dutra, Flávia Viana Avelar; Borges, Keyller Bastos

2018-10-01

A simple HPLC method was developed for the determination of abamectin (ABA), eprinomectin (EPR), and moxidectin (MOX). Pipette-tip molecularly imprinted polymer solid-phase extraction (PT-MIP-SPE) using poly(1-vinylimidazole-co-trimethylolpropane trimethacrylate) as a selective adsorbent material was studied in detail, including the washing solvent, type and volume of eluent, pH, quantity of adsorbent material and sample volume. The performance criteria for linearity, sensitivity, precision, accuracy, recovery, robustness and stability have been assessed and were within the recommended guidelines. The mean extraction recoveries/relative standard deviation for ABA 1b, EPR, ABA 1a and MOX were 98.77 ± 3.82%, 88.19 ± 2.57%, 110.54 ± 1.52% and 100.42 ± 0.59%, respectively. Finally, the results proved that PT-MIP-SPE coupled to HPLC-UV is an economical, simple and easy-to-perform technique, and presented a high potential for extraction of macrocyclic lactones in mineral water and grape and juice samples. Copyright © 2018 Elsevier Ltd. All rights reserved.

Stability Estimation of ABWR on the Basis of Noise Analysis

NASA Astrophysics Data System (ADS)

Furuya, Masahiro; Fukahori, Takanori; Mizokami, Shinya; Yokoya, Jun

In order to investigate the stability of a nuclear reactor core with an oxide mixture of uranium and plutonium (MOX) fuel installed, channel stability and regional stability tests were conducted with the SIRIUS-F facility. The SIRIUS-F facility was designed and constructed to provide a highly accurate simulation of thermal-hydraulic (channel) instabilities and coupled thermalhydraulics-neutronics instabilities of the Advanced Boiling Water Reactors (ABWRs). A real-time simulation was performed by modal point kinetics of reactor neutronics and fuel-rod thermal conduction on the basis of a measured void fraction in a reactor core section of the facility. A time series analysis was performed to calculate decay ratio and resonance frequency from a dominant pole of a transfer function by applying auto regressive (AR) methods to the time-series of the core inlet flow rate. Experiments were conducted with the SIRIUS-F facility, which simulates ABWR with MOX fuel installed. The variations in the decay ratio and resonance frequency among the five common AR methods are within 0.03 and 0.01 Hz, respectively. In this system, the appropriate decay ratio and resonance frequency can be estimated on the basis of the Yule-Walker method with the model order of 30.

Proliferation resistance of small modular reactors fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Polidoro, F.; Parozzi, F.; Fassnacht, F.

2013-07-01

In this paper the proliferation resistance of different types of Small Modular Reactors (SMRs) has been examined and classified with criteria available in the literature. In the first part of the study, the level of proliferation attractiveness of traditional low-enriched UO{sub 2} and MOX fuels to be used in SMRs based on pressurized water technology has been analyzed. On the basis of numerical simulations both cores show significant proliferation risks. Although the MOX core is less proliferation prone in comparison to the UO{sub 2} core, it still can be highly attractive for diversion or undeclared production of nuclear material. Inmore » the second part of the paper, calculations to assess the proliferation attractiveness of fuel in typical small sodium cooled fast reactor show that proliferation risks from spent fuel cannot be neglected. The core contains a highly attractive plutonium composition during the whole life cycle. Despite some aspects of the design like the sealed core that enables easy detection of unauthorized withdrawal of fissile material and enhances proliferation resistance, in case of open Non-Proliferation Treaty break-out, weapon-grade plutonium in sufficient quantities could be extracted from the reactor core.« less

Conceptual designs of NDA instruments for the NRTA system at the Rokkasho Reprocessing Plant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, T.K.; Klosterbuer, S.F.; Menlove, H.O.

The authors are studying conceptual designs of selected nondestructive assay (NDA) instruments for the near-real-time accounting system at the rokkasho Reprocessing Plant (RRP) of Japan Nuclear Fuel Limited (JNFL). The JNFL RRP is a large-scale commercial reprocessing facility for spent fuel from boiling-water and pressurized-water reactors. The facility comprises two major components: the main process area to separate and produce purified plutonium nitrate and uranyl nitrate from irradiated reactor spent fuels, and the co-denitration process area to combine and convert the plutonium nitrate and uranyl nitrate into mixed oxide (MOX). The selected NDA instruments for conceptual design studies are themore » MOX-product canister counter, holdup measurement systems for calcination and reduction furnaces and for blenders in the co-denitration process, the isotope dilution gamma-ray spectrometer for the spent fuel dissolver solution, and unattended verification systems. For more effective and practical safeguards and material control and accounting at RRP, the authors are also studying the conceptual design for the UO{sub 3} large-barrel counter. This paper discusses the state-of-the-art NDA conceptual design and research and development activities for the above instruments.« less

Machine learning assembly landscapes from particle tracking data.

PubMed

Long, Andrew W; Zhang, Jie; Granick, Steve; Ferguson, Andrew L

2015-11-07

Bottom-up self-assembly offers a powerful route for the fabrication of novel structural and functional materials. Rational engineering of self-assembling systems requires understanding of the accessible aggregation states and the structural assembly pathways. In this work, we apply nonlinear machine learning to experimental particle tracking data to infer low-dimensional assembly landscapes mapping the morphology, stability, and assembly pathways of accessible aggregates as a function of experimental conditions. To the best of our knowledge, this represents the first time that collective order parameters and assembly landscapes have been inferred directly from experimental data. We apply this technique to the nonequilibrium self-assembly of metallodielectric Janus colloids in an oscillating electric field, and quantify the impact of field strength, oscillation frequency, and salt concentration on the dominant assembly pathways and terminal aggregates. This combined computational and experimental framework furnishes new understanding of self-assembling systems, and quantitatively informs rational engineering of experimental conditions to drive assembly along desired aggregation pathways.

Microcomputer software development facilities

NASA Technical Reports Server (NTRS)

Gorman, J. S.; Mathiasen, C.

1980-01-01

A more efficient and cost effective method for developing microcomputer software is to utilize a host computer with high-speed peripheral support. Application programs such as cross assemblers, loaders, and simulators are implemented in the host computer for each of the microcomputers for which software development is a requirement. The host computer is configured to operate in a time share mode for multiusers. The remote terminals, printers, and down loading capabilities provided are based on user requirements. With this configuration a user, either local or remote, can use the host computer for microcomputer software development. Once the software is developed (through the code and modular debug stage) it can be downloaded to the development system or emulator in a test area where hardware/software integration functions can proceed. The microcomputer software program sources reside in the host computer and can be edited, assembled, loaded, and then downloaded as required until the software development project has been completed.

Computational Modeling of Tissue Self-Assembly

NASA Astrophysics Data System (ADS)

Neagu, Adrian; Kosztin, Ioan; Jakab, Karoly; Barz, Bogdan; Neagu, Monica; Jamison, Richard; Forgacs, Gabor

As a theoretical framework for understanding the self-assembly of living cells into tissues, Steinberg proposed the differential adhesion hypothesis (DAH) according to which a specific cell type possesses a specific adhesion apparatus that combined with cell motility leads to cell assemblies of various cell types in the lowest adhesive energy state. Experimental and theoretical efforts of four decades turned the DAH into a fundamental principle of developmental biology that has been validated both in vitro and in vivo. Based on computational models of cell sorting, we have developed a DAH-based lattice model for tissues in interaction with their environment and simulated biological self-assembly using the Monte Carlo method. The present brief review highlights results on specific morphogenetic processes with relevance to tissue engineering applications. Our own work is presented on the background of several decades of theoretical efforts aimed to model morphogenesis in living tissues. Simulations of systems involving about 105 cells have been performed on high-end personal computers with CPU times of the order of days. Studied processes include cell sorting, cell sheet formation, and the development of endothelialized tubes from rings made of spheroids of two randomly intermixed cell types, when the medium in the interior of the tube was different from the external one. We conclude by noting that computer simulations based on mathematical models of living tissues yield useful guidelines for laboratory work and can catalyze the emergence of innovative technologies in tissue engineering.

Interactive debug program for evaluation and modification of assembly-language software

NASA Technical Reports Server (NTRS)

Arpasi, D. J.

1979-01-01

An assembly-language debug program written for the Honeywell HDC-601 and DDP-516/316 computers is described. Names and relative addressing to improve operator-machine interaction are used. Features include versatile display, on-line assembly, and improved program execution and analysis. The program is discussed from both a programmer's and an operator's standpoint. Functional diagrams are included to describe the program, and each command is illustrated.

LSG: An External-Memory Tool to Compute String Graphs for Next-Generation Sequencing Data Assembly.

PubMed

Bonizzoni, Paola; Vedova, Gianluca Della; Pirola, Yuri; Previtali, Marco; Rizzi, Raffaella

2016-03-01

The large amount of short read data that has to be assembled in future applications, such as in metagenomics or cancer genomics, strongly motivates the investigation of disk-based approaches to index next-generation sequencing (NGS) data. Positive results in this direction stimulate the investigation of efficient external memory algorithms for de novo assembly from NGS data. Our article is also motivated by the open problem of designing a space-efficient algorithm to compute a string graph using an indexing procedure based on the Burrows-Wheeler transform (BWT). We have developed a disk-based algorithm for computing string graphs in external memory: the light string graph (LSG). LSG relies on a new representation of the FM-index that is exploited to use an amount of main memory requirement that is independent from the size of the data set. Moreover, we have developed a pipeline for genome assembly from NGS data that integrates LSG with the assembly step of SGA (Simpson and Durbin, 2012 ), a state-of-the-art string graph-based assembler, and uses BEETL for indexing the input data. LSG is open source software and is available online. We have analyzed our implementation on a 875-million read whole-genome dataset, on which LSG has built the string graph using only 1GB of main memory (reducing the memory occupation by a factor of 50 with respect to SGA), while requiring slightly more than twice the time than SGA. The analysis of the entire pipeline shows an important decrease in memory usage, while managing to have only a moderate increase in the running time.

Evaluation of Visual Computer Simulator for Computer Architecture Education

ERIC Educational Resources Information Center

Imai, Yoshiro; Imai, Masatoshi; Moritoh, Yoshio

2013-01-01

This paper presents trial evaluation of a visual computer simulator in 2009-2011, which has been developed to play some roles of both instruction facility and learning tool simultaneously. And it illustrates an example of Computer Architecture education for University students and usage of e-Learning tool for Assembly Programming in order to…

Meraculous2

DOE Office of Scientific and Technical Information (OSTI.GOV)

2014-06-01

meraculous2 is a whole genome shotgun assembler for short-reads that is capable of assembling large, polymorphic genomes with modest computational requirements. Meraculous relies on an efficient and conservative traversal of the subgraph of the k-mer (deBruijn) graph of oligonucleotides with unique high quality extensions in the dataset, avoiding an explicit error correction step as used in other short-read assemblers. Additional features include (1) handling of allelic variation using "bubble" structures within the deBruijn graph, (2) gap closing of repetitive and low quality regions using localized assemblies, and (3) an improved scaffolding algorithm that produces more complete assemblies without compromising onmore » scaffolding accuracy« less

Self-assembled software and method of overriding software execution

DOEpatents

Bouchard, Ann M.; Osbourn, Gordon C.

2013-01-08

A computer-implemented software self-assembled system and method for providing an external override and monitoring capability to dynamically self-assembling software containing machines that self-assemble execution sequences and data structures. The method provides an external override machine that can be introduced into a system of self-assembling machines while the machines are executing such that the functionality of the executing software can be changed or paused without stopping the code execution and modifying the existing code. Additionally, a monitoring machine can be introduced without stopping code execution that can monitor specified code execution functions by designated machines and communicate the status to an output device.

Modeling the self-assembly of ordered nanoporous materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monson, Peter; Auerbach, Scott

This report describes progress on a collaborative project on the multiscale modeling of the assembly processes in the synthesis of nanoporous materials. Such materials are of enormous importance in modern technology with application in the chemical process industries, biomedicine and biotechnology as well as microelectronics. The project focuses on two important classes of materials: i) microporous crystalline materials, such as zeolites, and ii) ordered mesoporous materials. In the first case the pores are part of the crystalline structure, while in the second the structures are amorphous on the atomistic length scale but where surfactant templating gives rise to order onmore » the length scale of 2 - 20 nm. We have developed a modeling framework that encompasses both these kinds of materials. Our models focus on the assembly of corner sharing silica tetrahedra in the presence of structure directing agents. We emphasize a balance between sufficient realism in the models and computational tractibility given the complex many-body phenomena. We use both on-lattice and off-lattice models and the primary computational tools are Monte Carlo simulations with sampling techniques and ensembles appropriate to specific situations. Our modeling approach is the first to capture silica polymerization, nanopore crystallization, and mesopore formation through computer-simulated self assembly.« less

Software for Building Models of 3D Objects via the Internet

NASA Technical Reports Server (NTRS)

Schramer, Tim; Jensen, Jeff

2003-01-01

The Virtual EDF Builder (where EDF signifies Electronic Development Fixture) is a computer program that facilitates the use of the Internet for building and displaying digital models of three-dimensional (3D) objects that ordinarily comprise assemblies of solid models created previously by use of computer-aided-design (CAD) programs. The Virtual EDF Builder resides on a Unix-based server computer. It is used in conjunction with a commercially available Web-based plug-in viewer program that runs on a client computer. The Virtual EDF Builder acts as a translator between the viewer program and a database stored on the server. The translation function includes the provision of uniform resource locator (URL) links to other Web-based computer systems and databases. The Virtual EDF builder can be used in two ways: (1) If the client computer is Unix-based, then it can assemble a model locally; the computational load is transferred from the server to the client computer. (2) Alternatively, the server can be made to build the model, in which case the server bears the computational load and the results are downloaded to the client computer or workstation upon completion.

Robust and efficient overset grid assembly for partitioned unstructured meshes

NASA Astrophysics Data System (ADS)

Roget, Beatrice; Sitaraman, Jayanarayanan

2014-03-01

This paper presents a method to perform efficient and automated Overset Grid Assembly (OGA) on a system of overlapping unstructured meshes in a parallel computing environment where all meshes are partitioned into multiple mesh-blocks and processed on multiple cores. The main task of the overset grid assembler is to identify, in parallel, among all points in the overlapping mesh system, at which points the flow solution should be computed (field points), interpolated (receptor points), or ignored (hole points). Point containment search or donor search, an algorithm to efficiently determine the cell that contains a given point, is the core procedure necessary for accomplishing this task. Donor search is particularly challenging for partitioned unstructured meshes because of the complex irregular boundaries that are often created during partitioning.

Conceptual Designing of a Reduced Moderation Pressurized Water Reactor by Use of MVP and MVP-BURN

NASA Astrophysics Data System (ADS)

Kugo, T.

A conceptual design of a seed-blanket assembly PWR core with a complicated geometry and a strong heterogeneity has been carried forward by use of the continuous-energy Monte Carlo method. Through parametric survey calculations by repeated use of MVP and a lattice burn-up calculation by MVP-BURN, a seed-blanket assembly configuration suitable for a concept of RMWR has been established, by evaluating precisely reactivity, a conversion ratio and a coolant void reactivity coefficient in a realistic computation time on a super computer.

A parallel algorithm for generation and assembly of finite element stiffness and mass matrices

NASA Technical Reports Server (NTRS)

Storaasli, O. O.; Carmona, E. A.; Nguyen, D. T.; Baddourah, M. A.

1991-01-01

A new algorithm is proposed for parallel generation and assembly of the finite element stiffness and mass matrices. The proposed assembly algorithm is based on a node-by-node approach rather than the more conventional element-by-element approach. The new algorithm's generality and computation speed-up when using multiple processors are demonstrated for several practical applications on multi-processor Cray Y-MP and Cray 2 supercomputers.

Classroom Laboratory Report: Using an Image Database System in Engineering Education.

ERIC Educational Resources Information Center

Alam, Javed; And Others

1991-01-01

Describes an image database system assembled using separate computer components that was developed to overcome text-only computer hardware storage and retrieval limitations for a pavement design class. (JJK)

DNA-programmed dynamic assembly of quantum dots for molecular computation.

PubMed

He, Xuewen; Li, Zhi; Chen, Muzi; Ma, Nan

2014-12-22

Despite the widespread use of quantum dots (QDs) for biosensing and bioimaging, QD-based bio-interfaceable and reconfigurable molecular computing systems have not yet been realized. DNA-programmed dynamic assembly of multi-color QDs is presented for the construction of a new class of fluorescence resonance energy transfer (FRET)-based QD computing systems. A complete set of seven elementary logic gates (OR, AND, NOR, NAND, INH, XOR, XNOR) are realized using a series of binary and ternary QD complexes operated by strand displacement reactions. The integration of different logic gates into a half-adder circuit for molecular computation is also demonstrated. This strategy is quite versatile and straightforward for logical operations and would pave the way for QD-biocomputing-based intelligent molecular diagnostics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Challenges and opportunities in understanding microbial communities with metagenome assembly (accompanied by IPython Notebook tutorial)

DOE PAGES

Howe, Adina; Chain, Patrick S. G.

2015-07-09

Metagenomic investigations hold great promise for informing the genetics, physiology, and ecology of environmental microorganisms. Current challenges for metagenomic analysis are related to our ability to connect the dots between sequencing reads, their population of origin, and their encoding functions. Assembly-based methods reduce dataset size by extending overlapping reads into larger contiguous sequences (contigs), providing contextual information for genetic sequences that does not rely on existing references. These methods, however, tend to be computationally intensive and are again challenged by sequencing errors as well as by genomic repeats. While numerous tools have been developed based on these methodological concepts, theymore » present confounding choices and training requirements to metagenomic investigators. To help with accessibility to assembly tools, this review also includes an IPython Notebook metagenomic assembly tutorial. This tutorial has instructions for execution any operating system using Amazon Elastic Cloud Compute and guides users through downloading, assembly, and mapping reads to contigs of a mock microbiome metagenome. Despite its challenges, metagenomic analysis has already revealed novel insights into many environments on Earth. As software, training, and data continue to emerge, metagenomic data access and its discoveries will to grow.« less

Challenges and opportunities in understanding microbial communities with metagenome assembly (accompanied by IPython Notebook tutorial)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Howe, Adina; Chain, Patrick S. G.

Metagenomic investigations hold great promise for informing the genetics, physiology, and ecology of environmental microorganisms. Current challenges for metagenomic analysis are related to our ability to connect the dots between sequencing reads, their population of origin, and their encoding functions. Assembly-based methods reduce dataset size by extending overlapping reads into larger contiguous sequences (contigs), providing contextual information for genetic sequences that does not rely on existing references. These methods, however, tend to be computationally intensive and are again challenged by sequencing errors as well as by genomic repeats. While numerous tools have been developed based on these methodological concepts, theymore » present confounding choices and training requirements to metagenomic investigators. To help with accessibility to assembly tools, this review also includes an IPython Notebook metagenomic assembly tutorial. This tutorial has instructions for execution any operating system using Amazon Elastic Cloud Compute and guides users through downloading, assembly, and mapping reads to contigs of a mock microbiome metagenome. Despite its challenges, metagenomic analysis has already revealed novel insights into many environments on Earth. As software, training, and data continue to emerge, metagenomic data access and its discoveries will to grow.« less

The measurement of U(VI) and Np(IV) mass transfer in a single stage centrifugal contactor

NASA Astrophysics Data System (ADS)

May, I.; Birkett, E. J.; Denniss, I. S.; Gaubert, E. T.; Jobson, M.

2000-07-01

BNFL currently operates two reprocessing plants for the conversion of spent nuclear fuel into uranium and plutonium products for fabrication into uranium oxide and mixed uranium and plutonium oxide (MOX) fuels. To safeguard the future commercial viability of this process, BNFL is developing novel single cycle flowsheets that can be operated in conjunction with intensified centrifugal contactors.

PLUTONIUM PROCESSING OPTIMIZATION IN SUPPORT OF THE MOX FUEL PROGRAM

DOE Office of Scientific and Technical Information (OSTI.GOV)

GRAY, DEVIN W.; COSTA, DAVID A.

2007-02-02

After Los Alamos National Laboratory (LANL) personnel completed polishing 125 Kg of plutonium as highly purified PuO{sub 2} from surplus nuclear weapons, Duke, COGEMA, Stone, and Webster (DCS) required as the next process stage, the validation and optimization of all phases of the plutonium polishing flow sheet. Personnel will develop the optimized parameters for use in the upcoming 330 kg production mission.

Physiological gas exchange mapping of hyperpolarized 129 Xe using spiral-IDEAL and MOXE in a model of regional radiation-induced lung injury.

PubMed

Zanette, Brandon; Stirrat, Elaine; Jelveh, Salomeh; Hope, Andrew; Santyr, Giles

2018-02-01

To map physiological gas exchange parameters using dissolved hyperpolarized (HP) 129 Xe in a rat model of regional radiation-induced lung injury (RILI) with spiral-IDEAL and the model of xenon exchange (MOXE). Results are compared to quantitative histology of pulmonary tissue and red blood cell (RBC) distribution. Two cohorts (n = 6 each) of age-matched rats were used. One was irradiated in the right-medial lung, producing regional injury. Gas exchange was mapped 4 weeks postirradiation by imaging dissolved-phase HP 129 Xe using spiral-IDEAL at five gas exchange timepoints using a clinical 1.5 T scanner. Physiological lung parameters were extracted regionally on a voxel-wise basis using MOXE. Mean gas exchange parameters, specifically air-capillary barrier thickness (δ) and hematocrit (HCT) in the right-medial lung were compared to the contralateral lung as well as nonirradiated control animals. Whole-lung spectroscopic analysis of gas exchange was also performed. δ was significantly increased (1.43 ± 0.12 μm from 1.07 ± 0.09 μm) and HCT was significantly decreased (17.2 ± 1.2% from 23.6 ± 1.9%) in the right-medial lung (i.e., irradiated region) compared to the contralateral lung of the irradiated rats. These changes were not observed in healthy controls. δ and HCT correlated with histologically measured increases in pulmonary tissue heterogeneity (r = 0.77) and decreases in RBC distribution (r = 0.91), respectively. No changes were observed using whole-lung analysis. This work demonstrates the feasibility of mapping gas exchange using HP 129 Xe in an animal model of RILI 4 weeks postirradiation. Spatially resolved gas exchange mapping is sensitive to regional injury between cohorts that was undetected with whole-lung gas exchange analysis, in agreement with histology. Gas exchange mapping holds promise for assessing regional lung function in RILI and other pulmonary diseases. © 2017 The Authors. Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vidal, Jean-Marc; Eschbach, Romain; Launay, Agnes

CEA and AREVA-NC have developed and used a depletion code named CESAR for 30 years. This user-friendly industrial tool provides fast characterizations for all types of nuclear fuel (PWR / UOX or MOX or reprocess Uranium, BWR / UOX or MOX, MTR and SFR) and the wastes associated. CESAR can evaluate 100 heavy nuclides, 200 fission products and 150 activation products (with Helium and Tritium formation). It can also characterize the structural material of the fuel (Zircalloy, stainless steel, M5 alloy). CESAR provides depletion calculations for any reactor irradiation history and from 3 months to 1 million years of coolingmore » time. CESAR5.3 is based on the latest calculation schemes recommended by the CEA and on an international nuclear data base (JEFF-3.1.1). It is constantly checked against the CEA referenced and qualified depletion code DARWIN. CESAR incorporates the CEA qualification based on the dissolution analyses of fuel rod samples and the 'La Hague' reprocessing plant feedback experience. AREVA-NC uses CESAR intensively at 'La Hague' plant, not only for prospective studies but also for characterizations at different industrial facilities all along the reprocessing process and waste conditioning (near 150 000 calculations per year). CESAR is the reference code for AREVA-NC. CESAR is used directly or indirectly with other software, data bank or special equipment in many parts of the La Hague plants. The great flexibility of CESAR has rapidly interested other projects. CESAR became a 'tool' directly integrated in some other softwares. Finally, coupled with a Graphical User Interface, it can be easily used independently, responding to many needs for prospective studies as a support for nuclear facilities or transport. An English version is available. For the principal isotopes of U and Pu, CESAR5 benefits from the CEA experimental validation for the PWR UOX fuels, up to a burnup of 60 GWd/t and for PWR MOX fuels, up to 45 GWd/t. CESAR version 5.3 uses the CEA reference calculation codes for neutron physics with the JEFF-3.1.1 nuclear data set. (authors)« less

FY 2016 Status Report: CIRFT Testing on Spent Nuclear Fuels and Hydride Reorientation Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jy-An John; Wang, Hong; Yan, Yong

This report provides a detailed description of the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) testing conducted on spent nuclear fuel (SNF) rods in FY 2016, including hydride reorientation test results. Contact-based measurement, or three-LVDT-based curvature measurement, of SNF rods has proven to be quite reliable in CIRFT testing. However, how the linear variable differential transformer (LVDT) head contacts the SNF rod may have a significant effect on the curvature measurement, depending on the magnitude and direction of rod curvature. To correct such contact/curvature issues, sensor spacing, defined as the amount of separation between the three LVDT probes, is a criticalmore » measurement that can be used to calculate rod curvature once the deflections are obtained. Recently developed CIRFT data analyses procedures were integrated into FY 2016 CIRFT testing results for the curvature measurements. The variations in fatigue life are provided in terms of moment, equivalent stress, curvature, and equivalent strain for the tested SNFs. The equivalent stress plot collapsed the data points from all of the SNFs into a single zone. A detailed examination revealed that, at same stress level, fatigue lives display a descending order as follows: H. B. Robinson Nuclear Power Station (HBR), Limerick Nuclear Power Station (LMK), mixed uranium-plutonium oxide (MOX). If looking at the strain, then LMK fuel has a slightly longer fatigue life than HBR fuel, but the difference is subtle. The knee point of endurance limit in the curve of moment and curvature or equivalent quantities is more clearly defined for LMK and HBR fuels. The treatment affects the fatigue life of specimens. Both a drop of 12 in. and radial hydride treatment (RHT) have a negative impact on fatigue life. The effect of thermal annealing on MOX fuel rods was relatively small at higher amplitude but became significant at low amplitude of moment. Thermal annealing tended to extend the fatigue life of MOX fuel rod specimens. However, for HR4 testing, the thermal annealing treatment showed a negative impact on the fatigue life of the HBR rod.« less

The interaction of molecular hydrogen with α-radiolytic oxidants on a (U,Pu)O2 surface

NASA Astrophysics Data System (ADS)

Bauhn, Lovisa; Hansson, Niklas; Ekberg, Christian; Fors, Patrik; Delville, Rémi; Spahiu, Kastriot

2018-07-01

In order to assess the impact of α-radiolysis of water on the oxidative dissolution of spent fuel, an un-irradiated, annealed MOX fuel pellet with high content of Pu (∼24 wt%), and a specific α-activity of 4.96 GBq/gMOX, was leached in carbonate-containing solutions of low ionic strength. The high Pu content in the pellet stabilizes the (U,Pu)O2(s) matrix towards oxidative dissolution, whereas the α-decays emitted from the surface are expected to produce ∼3.6 × 10-7 mol H2O2/day, contributing to the oxidative dissolution of the pellet. Two sets of leaching tests were conducted under different redox conditions: Ar gas atmosphere and deuterium gas atmosphere. A relatively slow increase of the U and Pu concentrations was observed in the Ar case, with U concentrations increasing from 1·10-6 M after 1 h to ∼7 × 10-5 M after 58 days. Leaching under an atmosphere starting at 1 MPa deuterium gas was undertaken in order to evaluate any effect of dissolved hydrogen on the radiolytic dissolution of the pellet, as well as to investigate any potential recombination of the α-radiolytic products with dissolved deuterium. For the latter purpose, isotopic analysis of the D/H content was carried out on solution samples taken during the leaching. Despite the continuous production of radiolytic oxidants, the concentrations of U and Pu remained quite constant at the level of ∼3 × 10-8 M during the first 30 days, i.e. as long as the deuterium pressure remained higher than 0.8 MPa. These data rule out any oxidative dissolution of the pellet during the first month. The un-irradiated MOX fuel does not contain metallic ε-particles, hence it is mainly the interaction of radiolytic oxidants and dissolved deuterium with the surface of the mixed actinide oxide that causes the neutralization of the oxidants. This conclusion is supported by the steadily increasing levels of HDO measured in the leachate samples.

Genome Partitioner: A web tool for multi-level partitioning of large-scale DNA constructs for synthetic biology applications

PubMed Central

Del Medico, Luca; Christen, Heinz; Christen, Beat

2017-01-01

Recent advances in lower-cost DNA synthesis techniques have enabled new innovations in the field of synthetic biology. Still, efficient design and higher-order assembly of genome-scale DNA constructs remains a labor-intensive process. Given the complexity, computer assisted design tools that fragment large DNA sequences into fabricable DNA blocks are needed to pave the way towards streamlined assembly of biological systems. Here, we present the Genome Partitioner software implemented as a web-based interface that permits multi-level partitioning of genome-scale DNA designs. Without the need for specialized computing skills, biologists can submit their DNA designs to a fully automated pipeline that generates the optimal retrosynthetic route for higher-order DNA assembly. To test the algorithm, we partitioned a 783 kb Caulobacter crescentus genome design. We validated the partitioning strategy by assembling a 20 kb test segment encompassing a difficult to synthesize DNA sequence. Successful assembly from 1 kb subblocks into the 20 kb segment highlights the effectiveness of the Genome Partitioner for reducing synthesis costs and timelines for higher-order DNA assembly. The Genome Partitioner is broadly applicable to translate DNA designs into ready to order sequences that can be assembled with standardized protocols, thus offering new opportunities to harness the diversity of microbial genomes for synthetic biology applications. The Genome Partitioner web tool can be accessed at https://christenlab.ethz.ch/GenomePartitioner. PMID:28531174

Fast-SG: an alignment-free algorithm for hybrid assembly.

PubMed

Di Genova, Alex; Ruz, Gonzalo A; Sagot, Marie-France; Maass, Alejandro

2018-05-01

Long-read sequencing technologies are the ultimate solution for genome repeats, allowing near reference-level reconstructions of large genomes. However, long-read de novo assembly pipelines are computationally intense and require a considerable amount of coverage, thereby hindering their broad application to the assembly of large genomes. Alternatively, hybrid assembly methods that combine short- and long-read sequencing technologies can reduce the time and cost required to produce de novo assemblies of large genomes. Here, we propose a new method, called Fast-SG, that uses a new ultrafast alignment-free algorithm specifically designed for constructing a scaffolding graph using light-weight data structures. Fast-SG can construct the graph from either short or long reads. This allows the reuse of efficient algorithms designed for short-read data and permits the definition of novel modular hybrid assembly pipelines. Using comprehensive standard datasets and benchmarks, we show how Fast-SG outperforms the state-of-the-art short-read aligners when building the scaffoldinggraph and can be used to extract linking information from either raw or error-corrected long reads. We also show how a hybrid assembly approach using Fast-SG with shallow long-read coverage (5X) and moderate computational resources can produce long-range and accurate reconstructions of the genomes of Arabidopsis thaliana (Ler-0) and human (NA12878). Fast-SG opens a door to achieve accurate hybrid long-range reconstructions of large genomes with low effort, high portability, and low cost.

DSS 14 64-meter antenna. Computed RF pathlength changes under gravity loadings

NASA Technical Reports Server (NTRS)

Katow, M. S.

1981-01-01

Using a computer model of the reflector structure and its supporting assembly of the 64-m antenna rotating about the elevation axis, the radio frequency (RF) pathlengths changes resulting from gravity loadings were computed. A check on the computed values was made by comparing the computed foci offsets with actual field readings of the Z or axial focussing required for elevation angle changes.

Accurate quantum calculations of translation-rotation eigenstates in electric-dipole-coupled H2O@C60 assemblies

NASA Astrophysics Data System (ADS)

Felker, Peter M.; Bačić, Zlatko

2017-09-01

We present methodology for variational calculation of the 6 n -dimensional translation-rotation (TR) eigenstates of assemblies of n H2O@C60 moieties coupled by dipole-dipole interactions. We show that the TR Hamiltonian matrix for any n can be constructed from dipole-dipole matrix elements computed for n = 2 . We present results for linear H2O@C60 assemblies. Two classes of eigenstates are revealed. One class comprises excitations of the 111 rotational level of H2O. The lowest-energy 111 -derived eigenstate for each assembly exhibits significant dipole ordering and shifts down in energy with the assembly size.

Personal-Computer Video-Terminal Emulator

NASA Technical Reports Server (NTRS)

Buckley, R. H.; Koromilas, A.; Smith, R. M.; Lee, G. E.; Giering, E. W.

1985-01-01

OWL-1200 video terminal emulator has been written for IBM Personal Computer. The OWL-1200 is a simple user terminal with some intelligent capabilities. These capabilities include screen formatting and block transmission of data. Emulator is written in PASCAL and Assembler for the IBM Personal Computer operating under DOS 1.1.

The IBM PC as an Online Search Machine--Part 2: Physiology for Searchers.

ERIC Educational Resources Information Center

Kolner, Stuart J.

1985-01-01

Enumerates "hardware problems" associated with use of the IBM personal computer as an online search machine: purchase of machinery, unpacking of parts, and assembly into a properly functioning computer. Components that allow transformations of computer into a search machine (combination boards, printer, modem) and diagnostics software…

A Theoretical and Experimental Study of DNA Self-assembly

NASA Astrophysics Data System (ADS)

Chandran, Harish

The control of matter and phenomena at the nanoscale is fast becoming one of the most important challenges of the 21st century with wide-ranging applications from energy and health care to computing and material science. Conventional top-down approaches to nanotechnology, having served us well for long, are reaching their inherent limitations. Meanwhile, bottom-up methods such as self-assembly are emerging as viable alternatives for nanoscale fabrication and manipulation. A particularly successful bottom up technique is DNA self-assembly where a set of carefully designed DNA strands form a nanoscale object as a consequence of specific, local interactions among the different components, without external direction. The final product of the self-assembly process might be a static nanostructure or a dynamic nanodevice that performs a specific function. Over the past two decades, DNA self-assembly has produced stunning nanoscale objects such as 2D and 3D lattices, polyhedra and addressable arbitrary shaped substrates, and a myriad of nanoscale devices such as molecular tweezers, computational circuits, biosensors and molecular assembly lines. In this dissertation we study multiple problems in the theory, simulations and experiments of DNA self-assembly. We extend the Turing-universal mathematical framework of self-assembly known as the Tile Assembly Model by incorporating randomization during the assembly process. This allows us to reduce the tile complexity of linear assemblies. We develop multiple techniques to build linear assemblies of expected length N using far fewer tile types than previously possible. We abstract the fundamental properties of DNA and develop a biochemical system, which we call meta-DNA, based entirely on strands of DNA as the only component molecule. We further develop various enzyme-free protocols to manipulate meta-DNA systems and provide strand level details along with abstract notations for these mechanisms. We simulate DNA circuits by providing detailed designs for local molecular computations that involve spatially contiguous molecules arranged on addressable substrates via enzyme-free DNA hybridization reaction cascades. We use the Visual DSD simulation software in conjunction with localized reaction rates obtained from biophysical modeling to create chemical reaction networks of localized hybridization circuits that are then model checked using the PRISM model checking software. We develop a DNA detection system employing the triggered self-assembly of a novel DNA dendritic nanostructure. Detection begins when a specific, single-stranded target DNA strand triggers a hybridization chain reaction between two distinct DNA hairpins. Each hairpin opens and hybridizes up to two copies of the other, and hence each layer of the growing dendritic nanostructure can in principle accommodate an exponentially increasing number of cognate molecules, generating a nanostructure with high molecular weight. We build linear activatable assemblies employing a novel protection/deprotection strategy to strictly enforce the direction of tiling assembly growth to ensure the robustness of the assembly process. Our system consists of two tiles that can form a linear co-polymer. These tiles, which are initially protected such that they do not react with each other, can be activated to form linear co-polymers via the use of a strand displacing enzyme.

Many-molecule encapsulation by an icosahedral shell

PubMed Central

Perlmutter, Jason D; Mohajerani, Farzaneh; Hagan, Michael F

2016-01-01

We computationally study how an icosahedral shell assembles around hundreds of molecules. Such a process occurs during the formation of the carboxysome, a bacterial microcompartment that assembles around many copies of the enzymes ribulose 1,5-bisphosphate carboxylase/ oxygenase and carbonic anhydrase to facilitate carbon fixation in cyanobacteria. Our simulations identify two classes of assembly pathways leading to encapsulation of many-molecule cargoes. In one, shell assembly proceeds concomitantly with cargo condensation. In the other, the cargo first forms a dense globule; then, shell proteins assemble around and bud from the condensed cargo complex. Although the model is simplified, the simulations predict intermediates and closure mechanisms not accessible in experiments, and show how assembly can be tuned between these two pathways by modulating protein interactions. In addition to elucidating assembly pathways and critical control parameters for microcompartment assembly, our results may guide the reengineering of viruses as nanoreactors that self-assemble around their reactants. DOI: http://dx.doi.org/10.7554/eLife.14078.001 PMID:27166515

Analysis and Design of a Double-Divert Spiral Groove Seal

NASA Technical Reports Server (NTRS)

Zheng, Xiaoqing; Berard, Gerald

2007-01-01

This viewgraph presentation describes the design and analysis of a double spiral groove seal. The contents include: 1) Double Spiral Design Features; 2) Double Spiral Operational Features; 3) Mating Ring/Rotor Assembly; 4) Seal Ring Assembly; 5) Insert Segment Joints; 6) Rotor Assembly Completed Prototype Parts; 7) Seal Assembly Completed Prototype Parts; 8) Finite Element Analysis; 9) Computational Fluid Dynamics (CFD) Analysis; 10) Restrictive Orifice Design; 11) Orifice CFD Model; 12) Orifice Results; 13) Restrictive Orifice; 14) Seal Face Coning; 15) Permanent Magnet Analysis; 16) Magnetic Repulsive Force; 17) Magnetic Repulsive Test Results; 18) Spin Testing; and 19) Testing and Validation.

Building block synthesis using the polymerase chain assembly method.

PubMed

Marchand, Julie A; Peccoud, Jean

2012-01-01

De novo gene synthesis allows the creation of custom DNA molecules without the typical constraints of traditional cloning assembly: scars, restriction site incompatibility, and the quest to find all the desired parts to name a few. Moreover, with the help of computer-assisted design, the perfect DNA molecule can be created along with its matching sequence ready to download. The challenge is to build the physical DNA molecules that have been designed with the software. Although there are several DNA assembly methods, this section presents and describes a method using the polymerase chain assembly (PCA).

Concentrator optical characterization using computer mathematical modelling and point source testing

NASA Technical Reports Server (NTRS)

Dennison, E. W.; John, S. L.; Trentelman, G. F.

1984-01-01

The optical characteristics of a paraboloidal solar concentrator are analyzed using the intercept factor curve (a format for image data) to describe the results of a mathematical model and to represent reduced data from experimental testing. This procedure makes it possible not only to test an assembled concentrator, but also to evaluate single optical panels or to conduct non-solar tests of an assembled concentrator. The use of three-dimensional ray tracing computer programs to calculate the mathematical model is described. These ray tracing programs can include any type of optical configuration from simple paraboloids to array of spherical facets and can be adapted to microcomputers or larger computers, which can graphically display real-time comparison of calculated and measured data.

INPRO Assessment of an INS in the Area of Safety of Fuel Cycle Installations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raj, B.; Busurin, Y.; Depisch, F.

2006-07-01

INPRO has defined requirements organized in a hierarchy of Basic Principles, User Requirements and Criteria (consisting of an indicator and an acceptance limit) to be met by innovative nuclear reactor systems (INS) in six areas, namely: economics, safety, waste management, environment, proliferation resistance, and infrastructure. If an INS meets all requirements in all areas it represents a sustainable system for the supply of energy, capable of making a significant contribution to meeting the energy needs of the 21. century. Draft manuals have been developed, for each INPRO area, to provide guidance for performing an assessment of whether an INS meetsmore » the INPRO requirements in a given area. The manuals set out the information that needs to be assembled to perform an assessment and provide guidance on selecting the acceptance limits and, for a given INS, for determining the value of the indicators for comparison with the associated acceptance limits. Each manual also includes an example of a specific assessment to illustrate the guidance. This paper discusses the manual for performing an INPRO assessment in the area of safety of fuel cycle installations. The example, chosen solely for the purpose of illustrating the INPRO methodology, describes an assessment of an MOX fuel fabrication plant based on sol-gel technology and illustrates an assessment performed for an INS at an early stage of development. The safety issues and the assessment steps are presented in detail in the paper. (authors)« less

Design and implementation of a compliant robot with force feedback and strategy planning software

NASA Technical Reports Server (NTRS)

Premack, T.; Strempek, F. M.; Solis, L. A.; Brodd, S. S.; Cutler, E. P.; Purves, L. R.

1984-01-01

Force-feedback robotics techniques are being developed for automated precision assembly and servicing of NASA space flight equipment. Design and implementation of a prototype robot which provides compliance and monitors forces is in progress. Computer software to specify assembly steps and makes force feedback adjustments during assembly are coded and tested for three generically different precision mating problems. A model program demonstrates that a suitably autonomous robot can plan its own strategy.

Simple tools for assembling and searching high-density picolitre pyrophosphate sequence data.

PubMed

Parker, Nicolas J; Parker, Andrew G

2008-04-18

The advent of pyrophosphate sequencing makes large volumes of sequencing data available at a lower cost than previously possible. However, the short read lengths are difficult to assemble and the large dataset is difficult to handle. During the sequencing of a virus from the tsetse fly, Glossina pallidipes, we found the need for tools to search quickly a set of reads for near exact text matches. A set of tools is provided to search a large data set of pyrophosphate sequence reads under a "live" CD version of Linux on a standard PC that can be used by anyone without prior knowledge of Linux and without having to install a Linux setup on the computer. The tools permit short lengths of de novo assembly, checking of existing assembled sequences, selection and display of reads from the data set and gathering counts of sequences in the reads. Demonstrations are given of the use of the tools to help with checking an assembly against the fragment data set; investigating homopolymer lengths, repeat regions and polymorphisms; and resolving inserted bases caused by incomplete chain extension. The additional information contained in a pyrophosphate sequencing data set beyond a basic assembly is difficult to access due to a lack of tools. The set of simple tools presented here would allow anyone with basic computer skills and a standard PC to access this information.

Transport synthetic acceleration for long-characteristics assembly-level transport problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zika, M.R.; Adams, M.L.

2000-02-01

The authors apply the transport synthetic acceleration (TSA) scheme to the long-characteristics spatial discretization for the two-dimensional assembly-level transport problem. This synthetic method employs a simplified transport operator as its low-order approximation. Thus, in the acceleration step, the authors take advantage of features of the long-characteristics discretization that make it particularly well suited to assembly-level transport problems. The main contribution is to address difficulties unique to the long-characteristics discretization and produce a computationally efficient acceleration scheme. The combination of the long-characteristics discretization, opposing reflecting boundary conditions (which are present in assembly-level transport problems), and TSA presents several challenges. The authorsmore » devise methods for overcoming each of them in a computationally efficient way. Since the boundary angular data exist on different grids in the high- and low-order problems, they define restriction and prolongation operations specific to the method of long characteristics to map between the two grids. They implement the conjugate gradient (CG) method in the presence of opposing reflection boundary conditions to solve the TSA low-order equations. The CG iteration may be applied only to symmetric positive definite (SPD) matrices; they prove that the long-characteristics discretization yields an SPD matrix. They present results of the acceleration scheme on a simple test problem, a typical pressurized water reactor assembly, and a typical boiling water reactor assembly.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

C. Priniski, T. Dodson, M. Duco, S. Raftopoulos, R. Ellis, and A. Brooks

In support of the National Compact Stellerator Experiment (NCSX), stellerator assembly activities continued this past year at the Princeton Plasma Physics Laboratory (PPPL) in partnership with the Oak Ridge National Laboratory (ORNL). The construction program saw the completion of the first two Half Field-Period Assemblies (HPA), each consisting of three modular coils. The full machine includes six such sub-assemblies. A single HPA consists of three of the NCSX modular coils wound and assembled at PPPL. These geometrically-complex threedimensional coils were wound using computer-aided metrology and CAD models to tolerances within +/- 0.5mm. The assembly of these coils required similar accuracymore » on a larger scale with the added complexity of more individual parts and fewer degrees of freedom for correction. Several new potential positioning issues developed for which measurement and control techniques were developed. To accomplish this, CAD coordinate-based computer metrology equipment and software similar to the solutions employed for winding the modular coils was used. Given the size of the assemblies, the primary tools were both interferometeraided and Absolute Distance Measurement (ADM)-only based laser trackers. In addition, portable Coordinate Measurement Machine (CMM) arms and some novel indirect measurement techniques were employed. This paper will detail both the use of CAD coordinate-based metrology technology and the techniques developed and employed for dimensional control of NSCX subassemblies. The results achieved and possible improvements to techniques will be discussed.« less

Diversity of bilateral synaptic assemblies for binaural computation in midbrain single neurons.

PubMed

He, Na; Kong, Lingzhi; Lin, Tao; Wang, Shaohui; Liu, Xiuping; Qi, Jiyao; Yan, Jun

2017-11-01

Binaural hearing confers many beneficial functions but our understanding of its underlying neural substrates is limited. This study examines the bilateral synaptic assemblies and binaural computation (or integration) in the central nucleus of the inferior colliculus (ICc) of the auditory midbrain, a key convergent center. Using in-vivo whole-cell patch-clamp, the excitatory and inhibitory postsynaptic potentials (EPSPs/IPSPs) of single ICc neurons to contralateral, ipsilateral and bilateral stimulation were recorded. According to the contralateral and ipsilateral EPSP/IPSP, 7 types of bilateral synaptic assemblies were identified. These include EPSP-EPSP (EE), E-IPSP (EI), E-no response (EO), II, IE, IO and complex-mode (CM) neurons. The CM neurons showed frequency- and/or amplitude-dependent EPSPs/IPSPs to contralateral or ipsilateral stimulation. Bilateral stimulation induced EPSPs/IPSPs that could be larger than (facilitation), similar to (ineffectiveness) or smaller than (suppression) those induced by contralateral stimulation. Our findings have allowed our group to characterize novel neural circuitry for binaural computation in the midbrain. Copyright © 2017 Elsevier B.V. All rights reserved.

Pathways for virus assembly around nucleic acids

PubMed Central

Perlmutter, Jason D; Perkett, Matthew R

2014-01-01

Understanding the pathways by which viral capsid proteins assemble around their genomes could identify key intermediates as potential drug targets. In this work we use computer simulations to characterize assembly over a wide range of capsid protein-protein interaction strengths and solution ionic strengths. We find that assembly pathways can be categorized into two classes, in which intermediates are either predominantly ordered or disordered. Our results suggest that estimating the protein-protein and the protein-genome binding affinities may be sufficient to predict which pathway occurs. Furthermore, the calculated phase diagrams suggest that knowledge of the dominant assembly pathway and its relationship to control parameters could identify optimal strategies to thwart or redirect assembly to block infection. Finally, analysis of simulation trajectories suggests that the two classes of assembly pathways can be distinguished in single molecule fluorescence correlation spectroscopy or bulk time resolved small angle x-ray scattering experiments. PMID:25036288

Interrogating viral capsid assembly with ion mobility-mass spectrometry

NASA Astrophysics Data System (ADS)

Uetrecht, Charlotte; Barbu, Ioana M.; Shoemaker, Glen K.; van Duijn, Esther; Heck, Albert J. R.

2011-02-01

Most proteins fulfil their function as part of large protein complexes. Surprisingly, little is known about the pathways and regulation of protein assembly. Several viral coat proteins can spontaneously assemble into capsids in vitro with morphologies identical to the native virion and thus resemble ideal model systems for studying protein complex formation. Even for these systems, the mechanism for self-assembly is still poorly understood, although it is generally thought that smaller oligomeric structures form key intermediates. This assembly nucleus and larger viral assembly intermediates are typically low abundant and difficult to monitor. Here, we characterised small oligomers of Hepatitis B virus (HBV) and norovirus under equilibrium conditions using native ion mobility mass spectrometry. This data in conjunction with computational modelling enabled us to elucidate structural features of these oligomers. Instead of more globular shapes, the intermediates exhibit sheet-like structures suggesting that they are assembly competent. We propose pathways for the formation of both capsids.

Minimal Absent Words in Four Human Genome Assemblies

PubMed Central

Garcia, Sara P.; Pinho, Armando J.

2011-01-01

Minimal absent words have been computed in genomes of organisms from all domains of life. Here, we aim to contribute to the catalogue of human genomic variation by investigating the variation in number and content of minimal absent words within a species, using four human genome assemblies. We compare the reference human genome GRCh37 assembly, the HuRef assembly of the genome of Craig Venter, the NA12878 assembly from cell line GM12878, and the YH assembly of the genome of a Han Chinese individual. We find the variation in number and content of minimal absent words between assemblies more significant for large and very large minimal absent words, where the biases of sequencing and assembly methodologies become more pronounced. Moreover, we find generally greater similarity between the human genome assemblies sequenced with capillary-based technologies (GRCh37 and HuRef) than between the human genome assemblies sequenced with massively parallel technologies (NA12878 and YH). Finally, as expected, we find the overall variation in number and content of minimal absent words within a species to be generally smaller than the variation between species. PMID:22220210

Computer Tomography Analysis of Fastrac Composite Thrust Chamber Assemblies

NASA Technical Reports Server (NTRS)

Beshears, Ronald D.

2000-01-01

Computed tomography (CT) inspection has been integrated into the production process for NASA's Fastrac composite thrust chamber assemblies (TCAs). CT has been proven to be uniquely qualified to detect the known critical flaw for these nozzles, liner cracks that are adjacent to debonds between the liner and overwrap. CT is also being used as a process monitoring tool through analysis of low density indications in the nozzle overwraps. 3d reconstruction of CT images to produce models of flawed areas is being used to give program engineers better insight into the location and nature of nozzle flaws.

Time cycle analysis and simulation of material flow in MOX process layout

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, S.; Saraswat, A.; Danny, K.M.

The (U,Pu)O{sub 2} MOX fuel is the driver fuel for the upcoming PFBR (Prototype Fast Breeder Reactor). The fuel has around 30% PuO{sub 2}. The presence of high percentages of reprocessed PuO{sub 2} necessitates the design of optimized fuel fabrication process line which will address both production need as well as meet regulatory norms regarding radiological safety criteria. The powder pellet route has highly unbalanced time cycle. This difficulty can be overcome by optimizing process layout in terms of equipment redundancy and scheduling of input powder batches. Different schemes are tested before implementing in the process line with the helpmore » of a software. This software simulates the material movement through the optimized process layout. The different material processing schemes have been devised and validity of the schemes are tested with the software. Schemes in which production batches are meeting at any glove box location are considered invalid. A valid scheme ensures adequate spacing between the production batches and at the same time it meets the production target. This software can be further improved by accurately calculating material movement time through glove box train. One important factor is considering material handling time with automation systems in place.« less

Release and disposal of materials during decommissioning of Siemens MOX fuel fabrication plant at Hanau, Germany

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koenig, Werner; Baumann, Roland

2007-07-01

In September 2006, decommissioning and dismantling of the Siemens MOX Fuel Fabrication Plant in Hanau were completed. The process equipment and the fabrication buildings were completely decommissioned and dismantled. The other buildings were emptied in whole or in part, although they were not demolished. Overall, the decommissioning process produced approximately 8500 Mg of radioactive waste (including inactive matrix material); clearance measurements were also performed for approximately 5400 Mg of material covering a wide range of types. All the equipment in which nuclear fuels had been handled was disposed of as radioactive waste. The radioactive waste was conditioned on the basismore » of the requirements specified for the projected German final disposal site 'Schachtanlage Konrad'. During the pre-conditioning, familiar processes such as incineration, compacting and melting were used. It has been shown that on account of consistently applied activity containment (barrier concept) during operation and dismantling, there has been no significant unexpected contamination of the plant. Therefore almost all the materials that were not a priori destined for radioactive waste were released without restriction on the basis of the applicable legal regulations (chap. 29 of the Radiation Protection Ordinance), along with the buildings and the plant site. (authors)« less

The Application of materials attractiveness in a graded approach to nuclear materials security

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ebbinghaus, B.; Bathke, C.; Dalton, D.

2013-07-01

The threat from terrorist groups has recently received greater attention. In this paper, material quantity and material attractiveness are addressed through the lens of a minimum security strategy needed to prevent the construction of a nuclear explosive device (NED) by an adversary. Nuclear materials are placed into specific security categories (3 or 4 categories) , which define a number of security requirements to protect the material. Materials attractiveness can be divided into four attractiveness levels, High, Medium, Low, and Very Low that correspond to the utility of the material to the adversary and to a minimum security strategy that ismore » necessary to adequately protect the nuclear material. We propose a graded approach to materials attractiveness that recognizes for instance substantial differences in attractiveness between pure reactor-grade Pu oxide (High attractiveness) and fresh MOX fuel (Low attractiveness). In either case, an adversary's acquisition of a Category I quantity of plutonium would be a major incident, but the acquisition of Pu oxide by the adversary would be substantially worse than the acquisition of fresh MOX fuel because of the substantial differences in the time and complexity required of the adversary to process the material and fashion it into a NED.« less

Influence of closure, phenolic levels and microoxygenation on Cabernet Sauvignon wine composition after 5 years' bottle storage.

PubMed

Han, Guomin; Ugliano, Maurizio; Currie, Bruce; Vidal, Stéphane; Diéval, Jean-Baptiste; Waterhouse, Andrew L

2015-01-01

Wine aging is generally limited by the amount of oxidation, which is dependent on the amount of oxygen entering via the closure. Cabernet Sauvignon wine is well known for its high concentration of tannin, making it an ideal red wine for aging. The impact of closure type after 5 years' bottle aging has been investigated on a 2007 Cabernet Sauvignon red wine, treated with or without polyvinylpolypyrrolidone (PVPP) and micro-oxygenation (Mox). Two oxygen transfer rate (OTR) conditions (16 and 5 µg per day) into 375 mL bottles were obtained by using different synthetic stoppers. Color was evaluated by UV-visible spectrophotometry, carbonyls by 2,4-dinitrophenylhydrazine derivatization, phenolics by high-performance liquid chromatography and sulfur dioxide by the aspiration method. Closure type strongly influenced color parameters involving SO2 bleaching and some phenolics, particularly quercetin, were affected, but there was little effect on carbonyls other than acetaldehyde. PVPP treatment afforded wines with the lowest levels of phenolics and color density, but highest acetaldehyde. Few effects of Mox could be detected. Closure OTR strongly affects sulfur dioxide levels - the primary antioxidant in wine - in aged wine, but phenolic levels substantially alter the secondary reactions of oxidative aging. © 2014 Society of Chemical Industry.

The Impact of Software on Associate Degree Programs in Electronic Engineering Technology.

ERIC Educational Resources Information Center

Hata, David M.

1986-01-01

Assesses the range and extent of computer assisted instruction software available in electronic engineering technology education. Examines the need for software skills in four areas: (1) high-level languages; (2) assembly language; (3) computer-aided engineering; and (4) computer-aided instruction. Outlines strategies for the future in three…

Inventorying national forest resources...for planning-programing-budgeting system

Treesearch

Miles R. Hill; Elliot L. Amidon

1968-01-01

New systems for analyzing resource management problems, such as Planning-Programing-Budgeting, will require automated procedures to collect and assemble resource inventory data. A computer - oriented system called Map Information Assembly and Display System developed for this purpose was tested on a National Forest in California. It provided information on eight forest...

Computer Assisted Assembly of Tests at Educational Testing Service.

ERIC Educational Resources Information Center

Educational Testing Service, Princeton, NJ.

Two basic requirements for the successful initiation of a program for test assembly are the development of detailed item content classification systems and the delineation of the professional judgements made in building a test from a pool of items to detailed content, ability, and statistical specifications in terms precise enough to be translated…

A data base processor semantics specification package

NASA Technical Reports Server (NTRS)

Fishwick, P. A.

1983-01-01

A Semantics Specification Package (DBPSSP) for the Intel Data Base Processor (DBP) is defined. DBPSSP serves as a collection of cross assembly tools that allow the analyst to assemble request blocks on the host computer for passage to the DBP. The assembly tools discussed in this report may be effectively used in conjunction with a DBP compatible data communications protocol to form a query processor, precompiler, or file management system for the database processor. The source modules representing the components of DBPSSP are fully commented and included.

Recent advances in sequence assembly: principles and applications.

PubMed

Chen, Qingfeng; Lan, Chaowang; Zhao, Liang; Wang, Jianxin; Chen, Baoshan; Chen, Yi-Ping Phoebe

2017-11-01

The application of advanced sequencing technologies and the rapid growth of various sequence data have led to increasing interest in DNA sequence assembly. However, repeats and polymorphism occur frequently in genomes, and each of these has different impacts on assembly. Further, many new applications for sequencing, such as metagenomics regarding multiple species, have emerged in recent years. These not only give rise to higher complexity but also prevent short-read assembly in an efficient way. This article reviews the theoretical foundations that underlie current mapping-based assembly and de novo-based assembly, and highlights the key issues and feasible solutions that need to be considered. It focuses on how individual processes, such as optimal k-mer determination and error correction in assembly, rely on intelligent strategies or high-performance computation. We also survey primary algorithms/software and offer a discussion on the emerging challenges in assembly. © The Author 2017. Published by Oxford University Press. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Quantitative computational models of molecular self-assembly in systems biology

PubMed Central

Thomas, Marcus; Schwartz, Russell

2017-01-01

Molecular self-assembly is the dominant form of chemical reaction in living systems, yet efforts at systems biology modeling are only beginning to appreciate the need for and challenges to accurate quantitative modeling of self-assembly. Self-assembly reactions are essential to nearly every important process in cell and molecular biology and handling them is thus a necessary step in building comprehensive models of complex cellular systems. They present exceptional challenges, however, to standard methods for simulating complex systems. While the general systems biology world is just beginning to deal with these challenges, there is an extensive literature dealing with them for more specialized self-assembly modeling. This review will examine the challenges of self-assembly modeling, nascent efforts to deal with these challenges in the systems modeling community, and some of the solutions offered in prior work on self-assembly specifically. The review concludes with some consideration of the likely role of self-assembly in the future of complex biological system models more generally. PMID:28535149

Quantitative computational models of molecular self-assembly in systems biology.

PubMed

Thomas, Marcus; Schwartz, Russell

2017-05-23

Molecular self-assembly is the dominant form of chemical reaction in living systems, yet efforts at systems biology modeling are only beginning to appreciate the need for and challenges to accurate quantitative modeling of self-assembly. Self-assembly reactions are essential to nearly every important process in cell and molecular biology and handling them is thus a necessary step in building comprehensive models of complex cellular systems. They present exceptional challenges, however, to standard methods for simulating complex systems. While the general systems biology world is just beginning to deal with these challenges, there is an extensive literature dealing with them for more specialized self-assembly modeling. This review will examine the challenges of self-assembly modeling, nascent efforts to deal with these challenges in the systems modeling community, and some of the solutions offered in prior work on self-assembly specifically. The review concludes with some consideration of the likely role of self-assembly in the future of complex biological system models more generally.

3D investigation on polystyrene colloidal crystals by floatage self-assembly with mixed solvent via synchrotron radiation x-ray phase-contrast computed tomography

NASA Astrophysics Data System (ADS)

Fu, Yanan; Xie, Honglan; Deng, Biao; Du, Guohao; Xiao, Tiqiao

2017-06-01

The floatage self-assembly method was introduced with mixed solvent as the medium of polystyrene sphere suspension to fabricate the colloidal crystal. The three dimensional (3D) void system of the colloidal crystal was noninvasively characterized by synchrotron radiation phase-contrast computed tomography, and the quantitative image analysis was implemented aiming to the polystyrene sphere colloidal crystal. Comparing with gravity sedimentation method, the three samples fabricated from floatage self-assembly with mixed solvents have the lowest porosity, and when ethylene glycol and water were mixed with ratio of 1:1, the lowest porosity of 27.49% could be achieved, that has been very close to the minimum porosity of ordered 3D monodisperse sphere array (26%). In single slices, the porosities and fractal dimension for the voids were calculated. The results showed that two factors would significantly influence the porosity of the whole colloidal crystal: the first deposited sphere layer's orderliness and the sedimentation speed of the spheres. The floatage self-assembly could induce a stable close-packing process, resulted from the powerful nucleation force-lateral capillary force coupled with the mixed solvent to regulate the floating upward speed for purpose of matching the assembly rate.

Ray Meta: scalable de novo metagenome assembly and profiling

PubMed Central

2012-01-01

Voluminous parallel sequencing datasets, especially metagenomic experiments, require distributed computing for de novo assembly and taxonomic profiling. Ray Meta is a massively distributed metagenome assembler that is coupled with Ray Communities, which profiles microbiomes based on uniquely-colored k-mers. It can accurately assemble and profile a three billion read metagenomic experiment representing 1,000 bacterial genomes of uneven proportions in 15 hours with 1,024 processor cores, using only 1.5 GB per core. The software will facilitate the processing of large and complex datasets, and will help in generating biological insights for specific environments. Ray Meta is open source and available at http://denovoassembler.sf.net. PMID:23259615

Parallel In Vivo DNA Assembly by Recombination: Experimental Demonstration and Theoretical Approaches

PubMed Central

Shi, Zhenyu; Wedd, Anthony G.; Gras, Sally L.

2013-01-01

The development of synthetic biology requires rapid batch construction of large gene networks from combinations of smaller units. Despite the availability of computational predictions for well-characterized enzymes, the optimization of most synthetic biology projects requires combinational constructions and tests. A new building-brick-style parallel DNA assembly framework for simple and flexible batch construction is presented here. It is based on robust recombination steps and allows a variety of DNA assembly techniques to be organized for complex constructions (with or without scars). The assembly of five DNA fragments into a host genome was performed as an experimental demonstration. PMID:23468883

Computational design of a self-assembling symmetrical β-propeller protein.

PubMed

Voet, Arnout R D; Noguchi, Hiroki; Addy, Christine; Simoncini, David; Terada, Daiki; Unzai, Satoru; Park, Sam-Yong; Zhang, Kam Y J; Tame, Jeremy R H

2014-10-21

The modular structure of many protein families, such as β-propeller proteins, strongly implies that duplication played an important role in their evolution, leading to highly symmetrical intermediate forms. Previous attempts to create perfectly symmetrical propeller proteins have failed, however. We have therefore developed a new and rapid computational approach to design such proteins. As a test case, we have created a sixfold symmetrical β-propeller protein and experimentally validated the structure using X-ray crystallography. Each blade consists of 42 residues. Proteins carrying 2-10 identical blades were also expressed and purified. Two or three tandem blades assemble to recreate the highly stable sixfold symmetrical architecture, consistent with the duplication and fusion theory. The other proteins produce different monodisperse complexes, up to 42 blades (180 kDa) in size, which self-assemble according to simple symmetry rules. Our procedure is suitable for creating nano-building blocks from different protein templates of desired symmetry.

Automated standardization technique for an inductively-coupled plasma emission spectrometer

USGS Publications Warehouse

Garbarino, John R.; Taylor, Howard E.

1982-01-01

The manifold assembly subsystem described permits real-time computer-controlled standardization and quality control of a commercial inductively-coupled plasma atomic emission spectrometer. The manifold assembly consists of a branch-structured glass manifold, a series of microcomputer-controlled solenoid valves, and a reservoir for each standard. Automated standardization involves selective actuation of each solenoid valve that permits a specific mixed standard solution to be pumped to the nebulizer of the spectrometer. Quality control is based on the evaluation of results obtained for a mixed standard containing 17 analytes, that is measured periodically with unknown samples. An inaccurate standard evaluation triggers restandardization of the instrument according to a predetermined protocol. Interaction of the computer-controlled manifold assembly hardware with the spectrometer system is outlined. Evaluation of the automated standardization system with respect to reliability, simplicity, flexibility, and efficiency is compared to the manual procedure. ?? 1982.

Allosteric Control of Icosahedral Capsid Assembly

PubMed Central

Lazaro, Guillermo R.

2017-01-01

During the lifecycle of a virus, viral proteins and other components self-assemble to form an ordered protein shell called a capsid. This assembly process is subject to multiple competing constraints, including the need to form a thermostable shell while avoiding kinetic traps. It has been proposed that viral assembly satisfies these constraints through allosteric regulation, including the interconversion of capsid proteins among conformations with different propensities for assembly. In this article we use computational and theoretical modeling to explore how such allostery affects the assembly of icosahedral shells. We simulate assembly under a wide range of protein concentrations, protein binding affinities, and two different mechanisms of allosteric control. We find that, above a threshold strength of allosteric control, assembly becomes robust over a broad range of subunit binding affinities and concentrations, allowing the formation of highly thermostable capsids. Our results suggest that allostery can significantly shift the range of protein binding affinities that lead to successful assembly, and thus should be accounted for in models that are used to estimate interaction parameters from experimental data. PMID:27117092

The Mechanization of Design and Manufacturing.

ERIC Educational Resources Information Center

Gunn, Thomas G.

1982-01-01

Describes changes in the design of products and in planning, managing, and coordinating their manufacture. Focuses on discrete-products manufacturing industries, encompassing the fabrication and assembly of automobiles, aircraft, computers and microelectric components of computers, furniture, appliances, foods, clothing, building materials, and…

Nanoparticles Stabilize Thin Polymer Films: A Fundamental Study to Understand the Phenomenon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michael E. Mackay

2009-03-04

A new understanding of thermodynamics at the nanoscale resulted in a recently discovered first order phase transition that nanoparticles in a polymer film will all segregate to the supporting substrate. This is an unusual phase transition that was predicted using a modeling technique developed at Sandia National Laboratories and required the equivalent of many computational years on one computer. This project is a collaboration between Prof. Michael Mackay's group and Dr. Amalie Frischknecht (Sandia National Laboratories) where experimental observation and theoretical rationalization and prediction are brought together. Other discoveries were that this phase transition could be avoided by changing themore » nanoparticle properties yielding control of the assembly process at the nanoscale. In fact, the nanoparticles could be made to assemble to the supporting substrate, to the air interface or not assemble at all within a thin polymer film of order 100 nm in thickness. However, when the assembly process is present it is so robust that it is possible to make rough liquid films at the nanoscale due to nanoparticles assembling around three-dimensional objects. From this knowledge we are able to design and manufacture new coatings with particular emphasis on polymer-based solar cells. Careful control of the morphology at the nanoscale is expected to provide more efficient devices since the physics of these systems is dictated at this length scale and assembly of nanoparticles to various interfaces is critical to operation.« less

Mathematical modeling of HIV-like particle assembly in vitro.

PubMed

Liu, Yuewu; Zou, Xiufen

2017-06-01

In vitro, the recombinant HIV-1 Gag protein can generate spherical particles with a diameter of 25-30 nm in a fully defined system. It has approximately 80 building blocks, and its intermediates for assembly are abundant in geometry. Accordingly, there are a large number of nonlinear equations in the classical model. Therefore, it is difficult to compute values of geometry parameters for intermediates and make the mathematical analysis using the model. In this work, we develop a new model of HIV-like particle assembly in vitro by using six-fold symmetry of HIV-like particle assembly to decrease the number of geometry parameters. This method will greatly reduce computational costs and facilitate the application of the model. Then, we prove the existence and uniqueness of the positive equilibrium solution for this model with 79 nonlinear equations. Based on this model, we derive the interesting result that concentrations of all intermediates at equilibrium are independent of three important parameters, including two microscopic on-rate constants and the size of nucleating structure. Before equilibrium, these three parameters influence the concentration variation rates of all intermediates. We also analyze the relationship between the initial concentration of building blocks and concentrations of all intermediates. Furthermore, the bounds of concentrations of free building blocks and HIV-like particles are estimated. These results will be helpful to guide HIV-like particle assembly experiments and improve our understanding of the assembly dynamics of HIV-like particles in vitro. Copyright © 2017 Elsevier Inc. All rights reserved.

Supporting Undergraduate Computer Architecture Students Using a Visual MIPS64 CPU Simulator

ERIC Educational Resources Information Center

Patti, D.; Spadaccini, A.; Palesi, M.; Fazzino, F.; Catania, V.

2012-01-01

The topics of computer architecture are always taught using an Assembly dialect as an example. The most commonly used textbooks in this field use the MIPS64 Instruction Set Architecture (ISA) to help students in learning the fundamentals of computer architecture because of its orthogonality and its suitability for real-world applications. This…

Modular space station, phase B extension. Information management advanced development. Volume 5: Software assembly

NASA Technical Reports Server (NTRS)

Gerber, C. R.

1972-01-01

The development of uniform computer program standards and conventions for the modular space station is discussed. The accomplishments analyzed are: (1) development of computer program specification hierarchy, (2) definition of computer program development plan, and (3) recommendations for utilization of all operating on-board space station related data processing facilities.

Illuminating the Black Box of Genome Sequence Assembly: A Free Online Tool to Introduce Students to Bioinformatics

ERIC Educational Resources Information Center

Taylor, D. Leland; Campbell, A. Malcolm; Heyer, Laurie J.

2013-01-01

Next-generation sequencing technologies have greatly reduced the cost of sequencing genomes. With the current sequencing technology, a genome is broken into fragments and sequenced, producing millions of "reads." A computer algorithm pieces these reads together in the genome assembly process. PHAST is a set of online modules…

Nonproliferation and Threat Reduction Assistance: U.S. Programs in the Former Soviet Union

DTIC Science & Technology

2011-04-26

large - scale former BW-related facilities so that they can perform peaceful research issues such as infectious diseases. The Global Threat Reduction...indicated that it may not pursue the MOX program to eliminate its plutonium, opting instead for the construction of fast breeder reactors that could...burn plutonium directly for energy production. The United States might not fund this effort, as many in the United States argue that breeder reactors

OSLay: optimal syntenic layout of unfinished assemblies.

PubMed

Richter, Daniel C; Schuster, Stephan C; Huson, Daniel H

2007-07-01

The whole genome shotgun approach to genome sequencing results in a collection of contigs that must be ordered and oriented to facilitate efficient gap closure. We present a new tool OSLay that uses synteny between matching sequences in a target assembly and a reference assembly to layout the contigs (or scaffolds) in the target assembly. The underlying algorithm is based on maximum weight matching. The tool provides an interactive visualization of the computed layout and the result can be imported into the assembly editing tool Consed to support the design of primer pairs for gap closure. To enhance efficiency in the gap closure phase of a genome project it is crucial to know which contigs are adjacent in the target genome. Related genome sequences can be used to layout contigs in an assembly. OSLay is freely available from: http://www-ab.informatik.unituebingen.de/software/oslay.

Vector assembly of colloids on monolayer substrates

NASA Astrophysics Data System (ADS)

Jiang, Lingxiang; Yang, Shenyu; Tsang, Boyce; Tu, Mei; Granick, Steve

2017-06-01

The key to spontaneous and directed assembly is to encode the desired assembly information to building blocks in a programmable and efficient way. In computer graphics, raster graphics encodes images on a single-pixel level, conferring fine details at the expense of large file sizes, whereas vector graphics encrypts shape information into vectors that allow small file sizes and operational transformations. Here, we adapt this raster/vector concept to a 2D colloidal system and realize `vector assembly' by manipulating particles on a colloidal monolayer substrate with optical tweezers. In contrast to raster assembly that assigns optical tweezers to each particle, vector assembly requires a minimal number of optical tweezers that allow operations like chain elongation and shortening. This vector approach enables simple uniform particles to form a vast collection of colloidal arenes and colloidenes, the spontaneous dissociation of which is achieved with precision and stage-by-stage complexity by simply removing the optical tweezers.

Quantitative self-assembly prediction yields targeted nanomedicines

NASA Astrophysics Data System (ADS)

Shamay, Yosi; Shah, Janki; Işık, Mehtap; Mizrachi, Aviram; Leibold, Josef; Tschaharganeh, Darjus F.; Roxbury, Daniel; Budhathoki-Uprety, Januka; Nawaly, Karla; Sugarman, James L.; Baut, Emily; Neiman, Michelle R.; Dacek, Megan; Ganesh, Kripa S.; Johnson, Darren C.; Sridharan, Ramya; Chu, Karen L.; Rajasekhar, Vinagolu K.; Lowe, Scott W.; Chodera, John D.; Heller, Daniel A.

2018-02-01

Development of targeted nanoparticle drug carriers often requires complex synthetic schemes involving both supramolecular self-assembly and chemical modification. These processes are generally difficult to predict, execute, and control. We describe herein a targeted drug delivery system that is accurately and quantitatively predicted to self-assemble into nanoparticles based on the molecular structures of precursor molecules, which are the drugs themselves. The drugs assemble with the aid of sulfated indocyanines into particles with ultrahigh drug loadings of up to 90%. We devised quantitative structure-nanoparticle assembly prediction (QSNAP) models to identify and validate electrotopological molecular descriptors as highly predictive indicators of nano-assembly and nanoparticle size. The resulting nanoparticles selectively targeted kinase inhibitors to caveolin-1-expressing human colon cancer and autochthonous liver cancer models to yield striking therapeutic effects while avoiding pERK inhibition in healthy skin. This finding enables the computational design of nanomedicines based on quantitative models for drug payload selection.

Lattice-free prediction of three-dimensional structure of programmed DNA assemblies

PubMed Central

Pan, Keyao; Kim, Do-Nyun; Zhang, Fei; Adendorff, Matthew R.; Yan, Hao; Bathe, Mark

2014-01-01

DNA can be programmed to self-assemble into high molecular weight 3D assemblies with precise nanometer-scale structural features. Although numerous sequence design strategies exist to realize these assemblies in solution, there is currently no computational framework to predict their 3D structures on the basis of programmed underlying multi-way junction topologies constrained by DNA duplexes. Here, we introduce such an approach and apply it to assemblies designed using the canonical immobile four-way junction. The procedure is used to predict the 3D structure of high molecular weight planar and spherical ring-like origami objects, a tile-based sheet-like ribbon, and a 3D crystalline tensegrity motif, in quantitative agreement with experiments. Our framework provides a new approach to predict programmed nucleic acid 3D structure on the basis of prescribed secondary structure motifs, with possible application to the design of such assemblies for use in biomolecular and materials science. PMID:25470497

Free-floating dual-arm robots for space assembly

NASA Technical Reports Server (NTRS)

Agrawal, Sunil Kumar; Chen, M. Y.

1994-01-01

Freely moving systems in space conserve linear and angular momentum. As moving systems collide, the velocities get altered due to transfer of momentum. The development of strategies for assembly in a free-floating work environment requires a good understanding of primitives such as self motion of the robot, propulsion of the robot due to onboard thrusters, docking of the robot, retrieval of an object from a collection of objects, and release of an object in an object pool. The analytics of such assemblies involve not only kinematics and rigid body dynamics but also collision and impact dynamics of multibody systems. In an effort to understand such assemblies in zero gravity space environment, we are currently developing at Ohio University a free-floating assembly facility with a dual-arm planar robot equipped with thrusters, a free-floating material table, and a free-floating assembly table. The objective is to pick up workpieces from the material table and combine them into prespecified assemblies. This paper presents analytical models of assembly primitives and strategies for overall assembly. A computer simulation of an assembly is developed using the analytical models. The experiment facility will be used to verify the theoretical predictions.

Design and evaluation of brushless electrical generators

NASA Technical Reports Server (NTRS)

Collins, F. A.; Ellis, J. N.

1970-01-01

Ten design manuals assembled and nine computer programs are developed for evaluation of proposed designs of brushless rotating electrical generators. Design manual package provides all information required for generator design, and computer programs permit calculation of performance of specific designs including effects of materials.

Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PubMed Central

Patmanidis, Ilias

2018-01-01

In bionanotechnology, the field of creating functional materials consisting of bio-inspired molecules, the function and shape of a nanostructure only appear through the assembly of many small molecules together. The large number of building blocks required to define a nanostructure combined with the many degrees of freedom in packing small molecules has long precluded molecular simulations, but recent advances in computational hardware as well as software have made classical simulations available to this strongly expanding field. Here, we review the state of the art in simulations of self-assembling bio-inspired supramolecular systems. We will first discuss progress in force fields, simulation protocols and enhanced sampling techniques using recent examples. Secondly, we will focus on efforts to enable the comparison of experimentally accessible observables and computational results. Experimental quantities that can be measured by microscopy, spectroscopy and scattering can be linked to simulation output either directly or indirectly, via quantum mechanical or semi-empirical techniques. Overall, we aim to provide an overview of the various computational approaches to understand not only the molecular architecture of nanostructures, but also the mechanism of their formation. PMID:29688238

Inverse Problem in Self-assembly

NASA Astrophysics Data System (ADS)

Tkachenko, Alexei

2012-02-01

By decorating colloids and nanoparticles with DNA, one can introduce highly selective key-lock interactions between them. This leads to a new class of systems and problems in soft condensed matter physics. In particular, this opens a possibility to solve inverse problem in self-assembly: how to build an arbitrary desired structure with the bottom-up approach? I will present a theoretical and computational analysis of the hierarchical strategy in attacking this problem. It involves self-assembly of particular building blocks (``octopus particles''), that in turn would assemble into the target structure. On a conceptual level, our approach combines elements of three different brands of programmable self assembly: DNA nanotechnology, nanoparticle-DNA assemblies and patchy colloids. I will discuss the general design principles, theoretical and practical limitations of this approach, and illustrate them with our simulation results. Our crucial result is that not only it is possible to design a system that has a given nanostructure as a ground state, but one can also program and optimize the kinetic pathway for its self-assembly.

Monodisperse self-assembly in a model with protein-like interactions

NASA Astrophysics Data System (ADS)

Wilber, Alex W.; Doye, Jonathan P. K.; Louis, Ard A.; Lewis, Anna C. F.

2009-11-01

We study the self-assembly behavior of patchy particles with "proteinlike" interactions that can be considered as a minimal model for the assembly of viral capsids and other shell-like protein complexes. We thoroughly explore the thermodynamics and dynamics of self-assembly as a function of the parameters of the model and find robust assembly of all target structures considered. Optimal assembly occurs in the region of parameter space where a free energy barrier regulates the rate of nucleation, thus preventing the premature exhaustion of the supply of monomers that can lead to the formation of incomplete shells. The interactions also need to be specific enough to prevent the assembly of malformed shells, but while maintaining kinetic accessibility. Free energy landscapes computed for our model have a funnel-like topography guiding the system to form the target structure and show that the torsional component of the interparticle interactions prevents the formation of disordered aggregates that would otherwise act as kinetic traps.

SAPNEW: Parallel finite element code for thin shell structures on the Alliant FX-80

NASA Astrophysics Data System (ADS)

Kamat, Manohar P.; Watson, Brian C.

1992-11-01

The finite element method has proven to be an invaluable tool for analysis and design of complex, high performance systems, such as bladed-disk assemblies in aircraft turbofan engines. However, as the problem size increase, the computation time required by conventional computers can be prohibitively high. Parallel processing computers provide the means to overcome these computation time limits. This report summarizes the results of a research activity aimed at providing a finite element capability for analyzing turbomachinery bladed-disk assemblies in a vector/parallel processing environment. A special purpose code, named with the acronym SAPNEW, has been developed to perform static and eigen analysis of multi-degree-of-freedom blade models built-up from flat thin shell elements. SAPNEW provides a stand alone capability for static and eigen analysis on the Alliant FX/80, a parallel processing computer. A preprocessor, named with the acronym NTOS, has been developed to accept NASTRAN input decks and convert them to the SAPNEW format to make SAPNEW more readily used by researchers at NASA Lewis Research Center.

New image-stabilizing system

NASA Astrophysics Data System (ADS)

Zhao, Yuejin

1996-06-01

In this paper, a new method for image stabilization with a three-axis image- stabilizing reflecting prism assembly is presented, and the principle of image stabilization in this prism assembly, formulae for image stabilization and working formulae with an approximation up to the third power are given in detail. In this image-stabilizing system, a single chip microcomputer is used to calculate value of compensating angles and thus to control the prism assembly. Two gyroscopes act as sensors from which information of angular perturbation is obtained, three stepping motors drive the prism assembly to compensate for the movement of image produced by angular perturbation. The image-stabilizing device so established is a multifold system which involves optics, mechanics, electronics and computer.

An Approach to Self-Assembling Swarm Robots Using Multitree Genetic Programming

PubMed Central

An, Jinung

2013-01-01

In recent days, self-assembling swarm robots have been studied by a number of researchers due to their advantages such as high efficiency, stability, and scalability. However, there are still critical issues in applying them to practical problems in the real world. The main objective of this study is to develop a novel self-assembling swarm robot algorithm that overcomes the limitations of existing approaches. To this end, multitree genetic programming is newly designed to efficiently discover a set of patterns necessary to carry out the mission of the self-assembling swarm robots. The obtained patterns are then incorporated into their corresponding robot modules. The computational experiments prove the effectiveness of the proposed approach. PMID:23861655

The mathematics of virus shell assembly. Progress report 1995--1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berger, B.

1996-08-01

This research focuses on applying computational and mathematical techniques to problems in biology, and more specifically to problems in protein folding. Significant progress has been made in the following areas relating to virus shell assembly: the local rules theory has been further developed; development has begun on a second-generation simulator which provides a more physically realistic model of assembly, collaborative efforts have continued with an experimental biologist to verify and inspire the local rules theory; an investigation has been initiated into the mechanics of virus shell assembly; laboratory experiments have been conducted on bacteriophage T4 which verify that the previouslymore » believed structure for the core may be incorrect.« less

An approach to self-assembling swarm robots using multitree genetic programming.

PubMed

Lee, Jong-Hyun; Ahn, Chang Wook; An, Jinung

2013-01-01

In recent days, self-assembling swarm robots have been studied by a number of researchers due to their advantages such as high efficiency, stability, and scalability. However, there are still critical issues in applying them to practical problems in the real world. The main objective of this study is to develop a novel self-assembling swarm robot algorithm that overcomes the limitations of existing approaches. To this end, multitree genetic programming is newly designed to efficiently discover a set of patterns necessary to carry out the mission of the self-assembling swarm robots. The obtained patterns are then incorporated into their corresponding robot modules. The computational experiments prove the effectiveness of the proposed approach.

Xander: employing a novel method for efficient gene-targeted metagenomic assembly

DOE PAGES

Wang, Qiong; Fish, Jordan A.; Gilman, Mariah; ...

2015-08-05

Here, metagenomics can provide important insight into microbial communities. However, assembling metagenomic datasets has proven to be computationally challenging. Current methods often assemble only fragmented partial genes. We present a novel method for targeting assembly of specific protein-coding genes. This method combines a de Bruijn graph, as used in standard assembly approaches, and a protein profile hidden Markov model (HMM) for the gene of interest, as used in standard annotation approaches. These are used to create a novel combined weighted assembly graph. Xander performs both assembly and annotation concomitantly using information incorporated in this graph. We demonstrate the utility ofmore » this approach by assembling contigs for one phylogenetic marker gene and for two functional marker genes, first on Human Microbiome Project (HMP)-defined community Illumina data and then on 21 rhizosphere soil metagenomic datasets from three different crops totaling over 800 Gbp of unassembled data. We compared our method to a recently published bulk metagenome assembly method and a recently published gene-targeted assembler and found our method produced more, longer, and higher quality gene sequences. In conclusion, xander combines gene assignment with the rapid assembly of full-length or near full-length functional genes from metagenomic data without requiring bulk assembly or post-processing to find genes of interest. HMMs used for assembly can be tailored to the targeted genes, allowing flexibility to improve annotation over generic annotation pipelines.« less

Effectiveness of Various Computer-Based Instructional Strategies in Language Teaching. Final Report, November 1, 1969-August 31, 1970.

ERIC Educational Resources Information Center

Van Campen, Joseph A.

Computer software for programed language instruction, developed in the second quarter of 1970 at Stanford's Institute for Mathematical Studies in the Social Sciences is described in this report. The software includes: (1) a PDP-10 computer assembly language for generating drill sentences; (2) a coding system allowing a large number of sentences to…

A MAP fixed-point, packing-unpacking routine for the IBM 7094 computer

Treesearch

Robert S. Helfman

1966-01-01

Two MAP (Macro Assembly Program) computer routines for packing and unpacking fixed point data are described. Use of these routines with Fortran IV Programs provides speedy access to quantities of data which far exceed the normal storage capacity of IBM 7000-series computers. Many problems that could not be attempted because of the slow access-speed of tape...

Construction of Red Fox Chromosomal Fragments from the Short-Read Genome Assembly.

PubMed

Rando, Halie M; Farré, Marta; Robson, Michael P; Won, Naomi B; Johnson, Jennifer L; Buch, Ronak; Bastounes, Estelle R; Xiang, Xueyan; Feng, Shaohong; Liu, Shiping; Xiong, Zijun; Kim, Jaebum; Zhang, Guojie; Trut, Lyudmila N; Larkin, Denis M; Kukekova, Anna V

2018-06-20

The genome of a red fox ( Vulpes vulpes ) was recently sequenced and assembled using next-generation sequencing (NGS). The assembly is of high quality, with 94X coverage and a scaffold N50 of 11.8 Mbp, but is split into 676,878 scaffolds, some of which are likely to contain assembly errors. Fragmentation and misassembly hinder accurate gene prediction and downstream analysis such as the identification of loci under selection. Therefore, assembly of the genome into chromosome-scale fragments was an important step towards developing this genomic model. Scaffolds from the assembly were aligned to the dog reference genome and compared to the alignment of an outgroup genome (cat) against the dog to identify syntenic sequences among species. The program Reference-Assisted Chromosome Assembly (RACA) then integrated the comparative alignment with the mapping of the raw sequencing reads generated during assembly against the fox scaffolds. The 128 sequence fragments RACA assembled were compared to the fox meiotic linkage map to guide the construction of 40 chromosomal fragments. This computational approach to assembly was facilitated by prior research in comparative mammalian genomics, and the continued improvement of the red fox genome can in turn offer insight into canid and carnivore chromosome evolution. This assembly is also necessary for advancing genetic research in foxes and other canids.

Metagenomic assembly through the lens of validation: recent advances in assessing and improving the quality of genomes assembled from metagenomes.

PubMed

Olson, Nathan D; Treangen, Todd J; Hill, Christopher M; Cepeda-Espinoza, Victoria; Ghurye, Jay; Koren, Sergey; Pop, Mihai

2017-08-07

Metagenomic samples are snapshots of complex ecosystems at work. They comprise hundreds of known and unknown species, contain multiple strain variants and vary greatly within and across environments. Many microbes found in microbial communities are not easily grown in culture making their DNA sequence our only clue into their evolutionary history and biological function. Metagenomic assembly is a computational process aimed at reconstructing genes and genomes from metagenomic mixtures. Current methods have made significant strides in reconstructing DNA segments comprising operons, tandem gene arrays and syntenic blocks. Shorter, higher-throughput sequencing technologies have become the de facto standard in the field. Sequencers are now able to generate billions of short reads in only a few days. Multiple metagenomic assembly strategies, pipelines and assemblers have appeared in recent years. Owing to the inherent complexity of metagenome assembly, regardless of the assembly algorithm and sequencing method, metagenome assemblies contain errors. Recent developments in assembly validation tools have played a pivotal role in improving metagenomics assemblers. Here, we survey recent progress in the field of metagenomic assembly, provide an overview of key approaches for genomic and metagenomic assembly validation and demonstrate the insights that can be derived from assemblies through the use of assembly validation strategies. We also discuss the potential for impact of long-read technologies in metagenomics. We conclude with a discussion of future challenges and opportunities in the field of metagenomic assembly and validation. © The Author 2017. Published by Oxford University Press.

Computationally efficient multibody simulations

NASA Technical Reports Server (NTRS)

Ramakrishnan, Jayant; Kumar, Manoj

1994-01-01

Computationally efficient approaches to the solution of the dynamics of multibody systems are presented in this work. The computational efficiency is derived from both the algorithmic and implementational standpoint. Order(n) approaches provide a new formulation of the equations of motion eliminating the assembly and numerical inversion of a system mass matrix as required by conventional algorithms. Computational efficiency is also gained in the implementation phase by the symbolic processing and parallel implementation of these equations. Comparison of this algorithm with existing multibody simulation programs illustrates the increased computational efficiency.

The next generation of low-cost personal air quality sensors for quantitative exposure monitoring

NASA Astrophysics Data System (ADS)

Piedrahita, R.; Xiang, Y.; Masson, N.; Ortega, J.; Collier, A.; Jiang, Y.; Li, K.; Dick, R.; Lv, Q.; Hannigan, M.; Shang, L.

2014-03-01

Advances in embedded systems and low-cost gas sensors are enabling a new wave of low cost air quality monitoring tools. Our team has been engaged in the development of low-cost wearable air quality monitors (M-Pods) using the Arduino platform. The M-Pods use commercially available metal oxide semiconductor (MOx) sensors to measure CO, O3, NO2, and total VOCs, and NDIR sensors to measure CO2. MOx sensors are low in cost and show high sensitivity near ambient levels; however they display non-linear output signals and have cross sensitivity effects. Thus, a quantification system was developed to convert the MOx sensor signals into concentrations. Two deployments were conducted at a regulatory monitoring station in Denver, Colorado. M-Pod concentrations were determined using laboratory calibration techniques and co-location calibrations, in which we place the M-Pods near regulatory monitors to then derive calibration function coefficients using the regulatory monitors as the standard. The form of the calibration function was derived based on laboratory experiments. We discuss various techniques used to estimate measurement uncertainties. A separate user study was also conducted to assess personal exposure and M-Pod reliability. In this study, 10 M-Pods were calibrated via co-location multiple times over 4 weeks and sensor drift was analyzed with the result being a calibration function that included drift. We found that co-location calibrations perform better than laboratory calibrations. Lab calibrations suffer from bias and difficulty in covering the necessary parameter space. During co-location calibrations, median standard errors ranged between 4.0-6.1 ppb for O3, 6.4-8.4 ppb for NO2, 0.28-0.44 ppm for CO, and 16.8 ppm for CO2. Median signal to noise (S/N) ratios for the M-Pod sensors were higher for M-Pods than the regulatory instruments: for NO2, 3.6 compared to 23.4; for O3, 1.4 compared to 1.6; for CO, 1.1 compared to 10.0; and for CO2, 42.2 compared to 300-500. The user study provided trends and location-specific information on pollutants, and affected change in user behavior. The study demonstrated the utility of the M-Pod as a tool to assess personal exposure.

Co-Occurrence of Plasmid-Mediated AmpC β-Lactamase Activity Among Klebsiella pneumoniae and Escherichia Coli

PubMed Central

Zorgani, Abdulaziz; Daw, Hiyam; Sufya, Najib; Bashein, Abdullah; Elahmer, Omar; Chouchani, Chedly

2017-01-01

Introduction: Extended-spectrum β-lactamases (ESBLs), including the AmpC type, are important mechanisms of resistance among Klebsiella pneumoniae and Escherichia coli isolates. Objective: The aim of the study was to investigate the occurrence of AmpC-type β-lactamase producers isolated from two hospitals in Tripoli, Libya. Methods: All clinical isolates (76 K. pneumoniae and 75 E. coli) collected over two years (2013-2014) were evaluated for susceptibility to a panel of antimicrobials and were analyzed phenotypically for the ESBL and AmpC phenotype using E-test and ESBL and AmpC screen disc test. Both ESBL and AmpC-positive isolates were then screened for the presence of genes encoding plasmid-mediated AmpC β-lactamases by polymerase chain reaction (PCR). Results: Of the K. pneumoniae and E. coli tested, 75% and 16% were resistant to gentamicin, 74% and 1.3% to imipenem, 71% and 12% to cefoxitin, 80% and 12% to cefepime, 69% and 22.6% to ciprofloxacin, respectively. None of the E. coli isolates were multidrug resistant compared with K. pneumoniae (65.8%). K. pneumoniae ESBL producers were significantly higher (85.5%) compared with (17.3%) E. coli isolates (P <0.0001, OR=4.93). Plasmid-mediated AmpC genes were detected in 7.9% of K. pneumoniae, and 4% E. coli isolates. There was low agreement between phenotypic and genotypic methods, phenotypic testing underestimated detection of AmpC enzyme and did not correlate well with molecular results. The gene encoding CMY enzyme was the most prevalent (66.6%) of AmpC positive isolates followed by MOX, DHA and EBC. Only one AmpC gene was detected in 5/9 isolates, i.e, blaCMY (n=3), bla MOX (n=1), blaDHA (n=1). However, co-occurrence of AmpC genes were evident in 3/9 isolates with the following distribution: bla CMY and blaEBC (n=1), and blaCMY and blaMOX (n=2). Neither blaFOX nor blaACC was detected in all tested isolates. All AmpC positive strains were resistant to cefoxitin and isolated from patients admitted to intensive care units. Conclusion: Further studies are needed for detection of other AmpC variant enzyme production among such isolates. Continued surveillance and judicious antibiotic usage together with the implementation of efficient infection control measures are absolutely required. PMID:29151996

Co-Occurrence of Plasmid-Mediated AmpC β-Lactamase Activity Among Klebsiella pneumoniae and Escherichia Coli.

PubMed

Zorgani, Abdulaziz; Daw, Hiyam; Sufya, Najib; Bashein, Abdullah; Elahmer, Omar; Chouchani, Chedly

2017-01-01

Extended-spectrum β-lactamases (ESBLs), including the AmpC type, are important mechanisms of resistance among Klebsiella pneumoniae and Escherichia coli isolates. The aim of the study was to investigate the occurrence of AmpC-type β-lactamase producers isolated from two hospitals in Tripoli, Libya. All clinical isolates (76 K. pneumoniae and 75 E. coli ) collected over two years (2013-2014) were evaluated for susceptibility to a panel of antimicrobials and were analyzed phenotypically for the ESBL and AmpC phenotype using E-test and ESBL and AmpC screen disc test. Both ESBL and AmpC-positive isolates were then screened for the presence of genes encoding plasmid-mediated AmpC β-lactamases by polymerase chain reaction (PCR). Of the K. pneumoniae and E. coli tested, 75% and 16% were resistant to gentamicin, 74% and 1.3% to imipenem, 71% and 12% to cefoxitin, 80% and 12% to cefepime, 69% and 22.6% to ciprofloxacin, respectively. None of the E. coli isolates were multidrug resistant compared with K. pneumoniae (65.8%). K. pneumoniae ESBL producers were significantly higher (85.5%) compared with (17.3%) E. coli isolates (P <0.0001, OR=4.93). Plasmid-mediated AmpC genes were detected in 7.9% of K. pneumoniae , and 4% E. coli isolates. There was low agreement between phenotypic and genotypic methods, phenotypic testing underestimated detection of AmpC enzyme and did not correlate well with molecular results. The gene encoding CMY enzyme was the most prevalent (66.6%) of AmpC positive isolates followed by MOX, DHA and EBC. Only one AmpC gene was detected in 5/9 isolates, i.e, bla CMY (n=3), bla MOX (n=1), bla DHA (n=1). However, co-occurrence of AmpC genes were evident in 3/9 isolates with the following distribution: bla CMY and bla EBC (n=1), and bla CMY and bla MOX (n=2). Neither bla FOX nor bla ACC was detected in all tested isolates. All AmpC positive strains were resistant to cefoxitin and isolated from patients admitted to intensive care units. Further studies are needed for detection of other AmpC variant enzyme production among such isolates. Continued surveillance and judicious antibiotic usage together with the implementation of efficient infection control measures are absolutely required.

Computer technology forecast study for general aviation

NASA Technical Reports Server (NTRS)

Seacord, C. L.; Vaughn, D.

1976-01-01

A multi-year, multi-faceted program is underway to investigate and develop potential improvements in airframes, engines, and avionics for general aviation aircraft. The objective of this study was to assemble information that will allow the government to assess the trends in computer and computer/operator interface technology that may have application to general aviation in the 1980's and beyond. The current state of the art of computer hardware is assessed, technical developments in computer hardware are predicted, and nonaviation large volume users of computer hardware are identified.

Exhaustive analysis of the modular structure of the spliceosomal assembly network: a petri net approach.

PubMed

Bortfeldt, Ralf H; Schuster, Stefan; Koch, Ina

2011-01-01

Spliceosomes are macro-complexes involving hundreds of proteins with many functional interactions. Spliceosome assembly belongs to the key processes that enable splicing of mRNA and modulate alternative splicing. A detailed list of factors involved in spliceosomal reactions has been assorted over the past decade, but, their functional interplay is often unknown and most of the present biological models cover only parts of the complete assembly process. It is a challenging task to build a computational model that integrates dispersed knowledge and combines a multitude of reaction schemes proposed earlier. Because for most reactions involved in spliceosome assembly kinetic parameters are not available, we propose a discrete modeling using Petri nets, through which we are enabled to get insights into the system's behavior via computation of structural and dynamic properties. In this paper, we compile and examine reactions from experimental reports that contribute to a functional spliceosome. All these reactions form a network, which describes the inventory and conditions necessary to perform the splicing process. The analysis is mainly based on system invariants. Transition invariants (T-invariants) can be interpreted as signaling routes through the network. Due to the huge number of T-invariants that arise with increasing network size and complexity, maximal common transition sets (MCTS) and T-clusters were used for further analysis. Additionally, we introduce a false color map representation, which allows a quick survey of network modules and the visual detection of single reactions or reaction sequences, which participate in more than one signaling route. We designed a structured model of spliceosome assembly, which combines the demands on a platform that i) can display involved factors and concurrent processes, ii) offers the possibility to run computational methods for knowledge extraction, and iii) is successively extendable as new insights into spliceosome function are reported by experimental reports. The network consists of 161 transitions (reactions) and 140 places (reactants). All reactions are part of at least one of the 71 T-invariants. These T-invariants define pathways, which are in good agreement with the current knowledge and known hypotheses on reaction sequences during spliceosome assembly, hence contributing to a functional spliceosome. We demonstrate that present knowledge, in particular of the initial part of the assembly process, describes parallelism and interaction of signaling routes, which indicate functional redundancy and reflect the dependency of spliceosome assembly initiation on different cellular conditions. The complexity of the network is further increased by two switches, which introduce alternative routes during A-complex formation in early spliceosome assembly and upon transition from the B-complex to the C-complex. By compiling known reactions into a complete network, the combinatorial nature of invariant computation leads to pathways that have previously not been described as connected routes, although their constituents were known. T-clusters divide the network into modules, which we interpret as building blocks in spliceosome maturation. We conclude that Petri net representations of large biological networks and system invariants, are well-suited as a means for validating the integration of experimental knowledge into a consistent model. Based on this network model, the design of further experiments is facilitated.

Exhaustive analysis of the modular structure of the spliceosomal assembly network: a Petri net approach.

PubMed

Bortfeldt, Ralf H; Schuster, Stefan; Koch, Ina

2010-01-01

Spliceosomes are macro-complexes involving hundreds of proteins with many functional interactions. Spliceosome assembly belongs to the key processes that enable splicing of mRNA and modulate alternative splicing. A detailed list of factors involved in spliceosomal reactions has been assorted over the past decade, but, their functional interplay is often unknown and most of the present biological models cover only parts of the complete assembly process. It is a challenging task to build a computational model that integrates dispersed knowledge and combines a multitude of reaction schemes proposed earlier.Because for most reactions involved in spliceosome assembly kinetic parameters are not available, we propose a discrete modeling using Petri nets, through which we are enabled to get insights into the system's behavior via computation of structural and dynamic properties. In this paper, we compile and examine reactions from experimental reports that contribute to a functional spliceosome. All these reactions form a network, which describes the inventory and conditions necessary to perform the splicing process. The analysis is mainly based on system invariants. Transition invariants (T-invariants) can be interpreted as signaling routes through the network. Due to the huge number of T-invariants that arise with increasing network size and complexity, maximal common transition sets (MCTS) and T-clusters were used for further analysis. Additionally, we introduce a false color map representation, which allows a quick survey of network modules and the visual detection of single reactions or reaction sequences, which participate in more than one signaling route. We designed a structured model of spliceosome assembly, which combines the demands on a platform that i) can display involved factors and concurrent processes, ii) offers the possibility to run computational methods for knowledge extraction, and iii) is successively extendable as new insights into spliceosome function are reported by experimental reports. The network consists of 161 transitions (reactions) and 140 places (reactants). All reactions are part of at least one of the 71 T-invariants. These T-invariants define pathways, which are in good agreement with the current knowledge and known hypotheses on reaction sequences during spliceosome assembly, hence contributing to a functional spliceosome. We demonstrate that present knowledge, in particular of the initial part of the assembly process, describes parallelism and interaction of signaling routes, which indicate functional redundancy and reflect the dependency of spliceosome assembly initiation on different cellular conditions. The complexity of the network is further increased by two switches, which introduce alternative routes during A-complex formation in early spliceosome assembly and upon transition from the B-complex to the C-complex. By compiling known reactions into a complete network, the combinatorial nature of invariant computation leads to pathways that have previously not been described as connected routes, although their constituents were known. T-clusters divide the network into modules, which we interpret as building blocks in spliceosome maturation. We conclude that Petri net representations of large biological networks and system invariants, are well-suited as a means for validating the integration of experimental knowledge into a consistent model. Based on this network model, the design of further experiments is facilitated.

Preliminary control/structure interaction study of coupled Space Station Freedom/Assembly Work Platform/orbiter

NASA Technical Reports Server (NTRS)

Singh, Sudeep K.; Lindenmoyer, Alan J.

1989-01-01

Results are presented from a preliminary control/structure interaction study of the Space Station, the Assembly Work Platform, and the STS orbiter dynamics coupled with the orbiter and station control systems. The first three Space Station assembly flight configurations and their finite element representations are illustrated. These configurations are compared in terms of control authority in each axis and propellant usage. The control systems design parameters during assembly are computed. Although the rigid body response was acceptable with the orbiter Primary Reaction Control System, the flexible body response showed large structural deflections and loads. It was found that severe control/structure interaction occurred if the stiffness of the Assembly Work Platform was equal to that of the station truss. Also, the response of the orbiter Vernier Reaction Control System to small changes in inertia properties is examined.

Topological Aspects of Infinite Metal Clusters and Superconductors.

DTIC Science & Technology

1987-08-11

tetrahedra. T chemical bonding topologies qf discrete octahedral metal clusters can be either edge- localized (e.g., MoX8L 6 4 derivatives), face- localized ...constructed from edge- localized metal polyhedra such as the Mo 6 octahedra in the ternary molybdenum chalcogenides (Chevrel phases) and Rh4 tetrahedra in the...chemical bonding topologies of discrete octahedral metal clusters can be either e4ge- localized (e.g., No X L 4+ derivatives), face- localized (e.g

Chemical Reduction of SIM MOX in Molten Lithium Chloride Using Lithium Metal Reductant

NASA Astrophysics Data System (ADS)

Kato, Tetsuya; Usami, Tsuyoshi; Kurata, Masaki; Inoue, Tadashi; Sims, Howard E.; Jenkins, Jan A.

2007-09-01

A simulated spent oxide fuel in a sintered pellet form, which contained the twelve elements U, Pu, Am, Np, Cm, Ce, Nd, Sm, Ba, Zr,Mo, and Pd, was reduced with Li metal in a molten LiCl bath at 923 K. More than 90% of U and Pu were reduced to metal to form a porous alloy without significant change in the Pu/U ratio. Small fractions of Pu were also combined with Pd to form stable alloys. In the gap of the porous U-Pu alloy, the aggregation of the rare-earth (RE) oxide was observed. Some amount of the RE elements and the actinoides leached from the pellet. The leaching ratio of Am to the initially loaded amount was only several percent, which was far from about 80% obtained in the previous ones on simple MOX including U, Pu, and Am. The difference suggests that a large part of Am existed in the RE oxide rather than in the U-Pu alloy. The detection of the RE elements and actinoides in the molten LiCl bath seemed to indicate that they dissolved into the molten LiCl bath containing the oxide ion, which is the by-product of the reduction, as solubility of RE elements was measured in the molten LiCl-Li2O previously.

Phase and crystallite size analysis of (Ti1-xMox)C-(Ni,Cr) cermet obtained by mechanical alloying

NASA Astrophysics Data System (ADS)

Suryana, Anis, Muhammad; Manaf, Azwar

2018-04-01

In this paper, we report the phase and crystallite size analysis of (Ti1-xMox)C-(Ni,Cr) with x = 0-0.5 cermet obtained by mechanical alloying of Ti, Mo, Ni, Cr and C elemental powders using a high-energy shaker ball mill under wet condition for 10 hours. The process used toluene as process control agent and the ball to mass ratio was 10:1. The mechanically milled powder was then consolidated and subsequently heated at a temperature 850°C for 2 hours under an argon flow to prevent oxidation. The product was characterized by X-ray diffraction (XRD) and scanning electron microscope equipped with energy dispersive analyzer. Results shown that, by the selection of appropriate condition during the mechanical alloying process, a metastable Ti-Ni-Cr-C powders could be obtained. The powder then allowed the in situ synthesis of TiC-(Ni,Cr) cermet which took place during exposure time at a high temperature that applied in reactive sintering step. Addition to molybdenum has caused shifting the TiC XRD peaks to a slightly higher angle which indicated that molybdenum dissolved in TiC phase. The crystallite size distribution of TiC is discussed in the report, which showing that the mean size decreased with the addition of molybdenum.

Insight into ethylene interactions with molybdenum suboxide cluster anions from photoelectron spectra of chemifragments

NASA Astrophysics Data System (ADS)

Schaugaard, Richard N.; Topolski, Josey E.; Ray, Manisha; Raghavachari, Krishnan; Jarrold, Caroline Chick

2018-02-01

Recent studies on reactions between MoxOy- cluster anions and H2O/C2H4 mixtures revealed a complex web of addition, hydrogen evolution, and chemifragmentation reactions, with chemifragments unambiguously connected to cluster reactions with C2H4. To gain insight into the molecular-scale interactions along the chemifragmentation pathways, the anion photoelectron (PE) spectra of MoC2H2-, MoC4H4-, MoOC2H2-, and MoO2C2H2- formed directly in MoxOy- + C2H4 (x > 1; y ≥ x) reactions, along with supporting CCSD(T) and density functional theory calculations, are presented and analyzed. The complexes have spectra that are all consistent with η2-acetylene complexes, though for all but MoC4H4-, the possibility that vinylidene complexes are also present cannot be definitively ruled out. Structures that are consistent with the PE spectrum of MoC2H2- differ from the lowest energy structure, suggesting that the fragment formation is under kinetic control. The PE spectrum of MoO2C2H2- additionally exhibits evidence that photodissociation to MoO2- + C2H2 may be occurring. The results suggest that oxidative dehydrogenation of ethylene is initiated by Lewis acid/base interactions between the Mo centers in larger clusters and the π orbitals in ethylene.

First principles study of structural, vibrational and electronic properties of graphene-like MX 2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

NASA Astrophysics Data System (ADS)

Ding, Yi; Wang, Yanli; Ni, Jun; Shi, Lin; Shi, Siqi; Tang, Weihua

2011-05-01

Using first principles calculations, we investigate the structural, vibrational and electronic structures of the monolayer graphene-like transition-metal dichalcogenide (MX 2) sheets. We find the lattice parameters and stabilities of the MX 2 sheets are mainly determined by the chalcogen atoms, while the electronic properties depend on the metal atoms. The NbS 2 and TaS 2 sheets have comparable energetic stabilities to the synthesized MoS 2 and WS 2 ones. The molybdenum and tungsten dichalcogenide (MoX 2 and WX 2) sheets have similar lattice parameters, vibrational modes, and electronic structures. These analogies also exist between the niobium and tantalum dichalcogenide (NbX 2 and TaX 2) sheets. However, the NbX 2 and TaX 2 sheets are metals, while the MoX 2 and WX 2 ones are semiconductors with direct-band gaps. When the Nb and Ta atoms are doped into the MoS 2 and WS 2 sheets, a semiconductor-to-metal transition occurs. Comparing to the bulk compounds, these monolayer sheets have similar structural parameters and properties, but their vibrational and electronic properties are varied and have special characteristics. Our results suggest that the graphene-like MX 2 sheets have potential applications in nano-electronics and nano-devices.

Local configurations and atomic intermixing in as-quenched and annealed Fe1-xCrx and Fe1-xMox ribbons

NASA Astrophysics Data System (ADS)

Stanciu, A. E.; Greculeasa, S. G.; Bartha, C.; Schinteie, G.; Palade, P.; Kuncser, A.; Leca, A.; Filoti, G.; Birsan, A.; Crisan, O.; Kuncser, V.

2018-04-01

Local atomic configuration, phase composition and atomic intermixing in Fe-rich Fe1-xCrx and Fe1-xMox ribbons (x = 0.05, 0.10, 0.15), of potential interest for high-temperature applications and nuclear devices, are investigated in this study in relation to specific processing and annealing routes. The Fe-based thin ribbons have been prepared by induction melting, followed by melt spinning and further annealed in He at temperatures up to 1250 °C. The complex structural, compositional and atomic configuration characterisation has been performed by means of X-ray diffraction (XRD), transmission Mössbauer spectroscopy and differential scanning calorimetry (TG-DSC). The XRD analysis indicates the formation of the desired solid solutions with body-centred cubic (bcc) structure in the as-quenched state. The Mössbauer spectroscopy results have been analysed in terms of the two-shell model. The distribution of Cr/Mo atoms in the first two coordination spheres is not homogeneous, especially after annealing, as supported by the short-range order parameters. In addition, high-temperature annealing treatments give rise to oxidation of Fe (to haematite, maghemite and magnetite) at the surface of the ribbons. Fe1-xCrx alloys are structurally more stable than the Mo counterpart under annealing at 700 °C. Annealing at 1250 °C in He enhances drastically the Cr clustering around Fe nuclei.

Using Coupled Mesoscale Experiments and Simulations to Investigate High Burn-Up Oxide Fuel Thermal Conductivity

NASA Astrophysics Data System (ADS)

Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.

2014-12-01

Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.

An Assessment of the Attractiveness of Material Associated with a MOX Fuel Cycle from a Safeguards Perspective

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bathke, Charles G; Wallace, Richard K; Ireland, John R

2009-01-01

This paper is an extension to earlier studies that examined the attractiveness of materials mixtures containing special nuclear materials (SNM) and alternate nuclear materials (ANM) associated with the PUREX, UREX, coextraction, THOREX, and PYROX reprocessing schemes. This study extends the figure of merit (FOM) for evaluating attractiveness to cover a broad range of proliferant State and sub-national group capabilities. This study also considers those materials that will be recycled and burned, possibly multiple times, in LWRs [e.g., plutonium in the form of mixed oxide (MOX) fuel]. The primary conclusion of this study is that all fissile material needs to bemore » rigorously safeguarded to detect diversion by a State and provided the highest levels of physical protection to prevent theft by sub-national groups; no 'silver bullet' has been found that will permit the relaxation of current international safeguards or national physical security protection levels. This series of studies has been performed at the request of the United States Department of Energy (DOE) and is based on the calculation of 'attractiveness levels' that are expressed in terms consistent with, but normally reserved for nuclear materials in DOE nuclear facilities. The expanded methodology and updated findings are presented. Additionally, how these attractiveness levels relate to proliferation resistance and physical security are discussed.« less

AN ASSESSMENT OF THE ATTRACTIVENESS OF MATERIAL ASSOCIATED WITH A MOX FUEL CYCLE FROM A SAFEGUARDS PERSPECTIVE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bathke, C. G.; Ebbinghaus, B. B.; Sleaford, Brad W.

2009-07-09

This paper is an extension to earlier studies [1,2] that examined the attractiveness of materials mixtures containing special nuclear materials (SNM) and alternate nuclear materials (ANM) associated with the PUREX, UREX, coextraction, THOREX, and PYROX reprocessing schemes. This study extends the figure of merit (FOM) for evaluating attractiveness to cover a broad range of proliferant State and sub-national group capabilities. This study also considers those materials that will be recycled and burned, possibly multiple times, in LWRs [e.g., plutonium in the form of mixed oxide (MOX) fuel]. The primary conclusion of this study is that all fissile material needs tomore » be rigorously safeguarded to detect diversion by a State and provided the highest levels of physical protection to prevent theft by sub-national groups; no “silver bullet” has been found that will permit the relaxation of current international safeguards or national physical security protection levels. This series of studies has been performed at the request of the United States Department of Energy (DOE) and is based on the calculation of "attractiveness levels" that are expressed in terms consistent with, but normally reserved for nuclear materials in DOE nuclear facilities [3]. The expanded methodology and updated findings are presented. Additionally, how these attractiveness levels relate to proliferation resistance and physical security are discussed.« less

The thermal conductivity of mixed fuel U xPu 1-xO 2: molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang-Yang; Cooper, Michael William Donald; Stanek, Christopher Richard

2015-10-16

Mixed oxides (MOX), in the context of nuclear fuels, are a mixture of the oxides of heavy actinide elements such as uranium, plutonium and thorium. The interest in the UO 2-PuO 2 system arises from the fact that these oxides are used both in fast breeder reactors (FBRs) as well as in pressurized water reactors (PWRs). The thermal conductivity of UO 2 fuel is an important material property that affects fuel performance since it is the key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. Formore » this reason it is important to understand the thermal conductivity of MOX fuel and how it differs from UO 2. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of mixing on the thermal conductivity of U xPu 1-xO 2, as a function of PuO 2 concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel.« less

Automated ensemble assembly and validation of microbial genomes.

PubMed

Koren, Sergey; Treangen, Todd J; Hill, Christopher M; Pop, Mihai; Phillippy, Adam M

2014-05-03

The continued democratization of DNA sequencing has sparked a new wave of development of genome assembly and assembly validation methods. As individual research labs, rather than centralized centers, begin to sequence the majority of new genomes, it is important to establish best practices for genome assembly. However, recent evaluations such as GAGE and the Assemblathon have concluded that there is no single best approach to genome assembly. Instead, it is preferable to generate multiple assemblies and validate them to determine which is most useful for the desired analysis; this is a labor-intensive process that is often impossible or unfeasible. To encourage best practices supported by the community, we present iMetAMOS, an automated ensemble assembly pipeline; iMetAMOS encapsulates the process of running, validating, and selecting a single assembly from multiple assemblies. iMetAMOS packages several leading open-source tools into a single binary that automates parameter selection and execution of multiple assemblers, scores the resulting assemblies based on multiple validation metrics, and annotates the assemblies for genes and contaminants. We demonstrate the utility of the ensemble process on 225 previously unassembled Mycobacterium tuberculosis genomes as well as a Rhodobacter sphaeroides benchmark dataset. On these real data, iMetAMOS reliably produces validated assemblies and identifies potential contamination without user intervention. In addition, intelligent parameter selection produces assemblies of R. sphaeroides comparable to or exceeding the quality of those from the GAGE-B evaluation, affecting the relative ranking of some assemblers. Ensemble assembly with iMetAMOS provides users with multiple, validated assemblies for each genome. Although computationally limited to small or mid-sized genomes, this approach is the most effective and reproducible means for generating high-quality assemblies and enables users to select an assembly best tailored to their specific needs.

Xander: employing a novel method for efficient gene-targeted metagenomic assembly.

PubMed

Wang, Qiong; Fish, Jordan A; Gilman, Mariah; Sun, Yanni; Brown, C Titus; Tiedje, James M; Cole, James R

2015-01-01

Metagenomics can provide important insight into microbial communities. However, assembling metagenomic datasets has proven to be computationally challenging. Current methods often assemble only fragmented partial genes. We present a novel method for targeting assembly of specific protein-coding genes. This method combines a de Bruijn graph, as used in standard assembly approaches, and a protein profile hidden Markov model (HMM) for the gene of interest, as used in standard annotation approaches. These are used to create a novel combined weighted assembly graph. Xander performs both assembly and annotation concomitantly using information incorporated in this graph. We demonstrate the utility of this approach by assembling contigs for one phylogenetic marker gene and for two functional marker genes, first on Human Microbiome Project (HMP)-defined community Illumina data and then on 21 rhizosphere soil metagenomic datasets from three different crops totaling over 800 Gbp of unassembled data. We compared our method to a recently published bulk metagenome assembly method and a recently published gene-targeted assembler and found our method produced more, longer, and higher quality gene sequences. Xander combines gene assignment with the rapid assembly of full-length or near full-length functional genes from metagenomic data without requiring bulk assembly or post-processing to find genes of interest. HMMs used for assembly can be tailored to the targeted genes, allowing flexibility to improve annotation over generic annotation pipelines. This method is implemented as open source software and is available at https://github.com/rdpstaff/Xander_assembler.

Application of ATHLET/DYN3D coupled codes system for fast liquid metal cooled reactor steady state simulation

NASA Astrophysics Data System (ADS)

Ivanov, V.; Samokhin, A.; Danicheva, I.; Khrennikov, N.; Bouscuet, J.; Velkov, K.; Pasichnyk, I.

2017-01-01

In this paper the approaches used for developing of the BN-800 reactor test model and for validation of coupled neutron-physic and thermohydraulic calculations are described. Coupled codes ATHLET 3.0 (code for thermohydraulic calculations of reactor transients) and DYN3D (3-dimensional code of neutron kinetics) are used for calculations. The main calculation results of reactor steady state condition are provided. 3-D model used for neutron calculations was developed for start reactor BN-800 load. The homogeneous approach is used for description of reactor assemblies. Along with main simplifications, the main reactor BN-800 core zones are described (LEZ, MEZ, HEZ, MOX, blankets). The 3D neutron physics calculations were provided with 28-group library, which is based on estimated nuclear data ENDF/B-7.0. Neutron SCALE code was used for preparation of group constants. Nodalization hydraulic model has boundary conditions by coolant mass-flow rate for core inlet part, by pressure and enthalpy for core outlet part, which can be chosen depending on reactor state. Core inlet and outlet temperatures were chosen according to reactor nominal state. The coolant mass flow rate profiling through the core is based on reactor power distribution. The test thermohydraulic calculations made with using of developed model showed acceptable results in coolant mass flow rate distribution through the reactor core and in axial temperature and pressure distribution. The developed model will be upgraded in future for different transient analysis in metal-cooled fast reactors of BN type including reactivity transients (control rods withdrawal, stop of the main circulation pump, etc.).

Qualification of APOLLO2 BWR calculation scheme on the BASALA mock-up

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaglio-Gaudard, C.; Santamarina, A.; Sargeni, A.

2006-07-01

A new neutronic APOLLO2/MOC/SHEM/CEA2005 calculation scheme for BWR applications has been developed by the French 'Commissariat a l'Energie Atomique'. This scheme is based on the latest calculation methodology (accurate mutual and self-shielding formalism, MOC treatment of the transport equation) and the recent JEFF3.1 nuclear data library. This paper presents the experimental validation of this new calculation scheme on the BASALA BWR mock-up The BASALA programme is devoted to the measurements of the physical parameters of high moderation 100% MOX BWR cores, in hot and cold conditions. The experimental validation of the calculation scheme deals with core reactivity, fission rate maps,more » reactivity worth of void and absorbers (cruciform control blades and Gd pins), as well as temperature coefficient. Results of the analysis using APOLLO2/MOC/SHEM/CEA2005 show an overestimation of the core reactivity by 600 pcm for BASALA-Hot and 750 pcm for BASALA-Cold. Reactivity worth of gadolinium poison pins and hafnium or B{sub 4}C control blades are predicted by APOLLO2 calculation within 2% accuracy. Furthermore, the radial power map is well predicted for every core configuration, including Void configuration and Hf / B{sub 4}C configurations: fission rates in the central assembly are calculated within the {+-}2% experimental uncertainty for the reference cores. The C/E bias on the isothermal Moderator Temperature Coefficient, using the CEA2005 library based on JEFF3.1 file, amounts to -1.7{+-}03 pcm/ deg. C on the range 10 deg. C-80 deg. C. (authors)« less

A biomimetic colorimetric logic gate system based on multi-functional peptide-mediated gold nanoparticle assembly

NASA Astrophysics Data System (ADS)

Li, Yong; Li, Wang; He, Kai-Yu; Li, Pei; Huang, Yan; Nie, Zhou; Yao, Shou-Zhuo

2016-04-01

In natural biological systems, proteins exploit various functional peptide motifs to exert target response and activity switch, providing a functional and logic basis for complex cellular activities. Building biomimetic peptide-based bio-logic systems is highly intriguing but remains relatively unexplored due to limited logic recognition elements and complex signal outputs. In this proof-of-principle work, we attempted to address these problems by utilizing multi-functional peptide probes and the peptide-mediated nanoparticle assembly system. Here, the rationally designed peptide probes function as the dual-target responsive element specifically responsive to metal ions and enzymes as well as the mediator regulating the assembly of gold nanoparticles (AuNPs). Taking advantage of Zn2+ ions and chymotrypsin as the model inputs of metal ions and enzymes, respectively, we constructed the peptide logic system computed by the multi-functional peptide probes and outputted by the readable colour change of AuNPs. In this way, the representative binary basic logic gates (AND, OR, INHIBIT, NAND, IMPLICATION) have been achieved by delicately coding the peptide sequence, demonstrating the versatility of our logic system. Additionally, we demonstrated that the three-input combinational logic gate (INHIBIT-OR) could also be successfully integrated and applied as a multi-tasking biosensor for colorimetric detection of dual targets. This nanoparticle-based peptide logic system presents a valid strategy to illustrate peptide information processing and provides a practical platform for executing peptide computing or peptide-related multiplexing sensing, implying that the controllable nanomaterial assembly is a promising and potent methodology for the advancement of biomimetic bio-logic computation.In natural biological systems, proteins exploit various functional peptide motifs to exert target response and activity switch, providing a functional and logic basis for complex cellular activities. Building biomimetic peptide-based bio-logic systems is highly intriguing but remains relatively unexplored due to limited logic recognition elements and complex signal outputs. In this proof-of-principle work, we attempted to address these problems by utilizing multi-functional peptide probes and the peptide-mediated nanoparticle assembly system. Here, the rationally designed peptide probes function as the dual-target responsive element specifically responsive to metal ions and enzymes as well as the mediator regulating the assembly of gold nanoparticles (AuNPs). Taking advantage of Zn2+ ions and chymotrypsin as the model inputs of metal ions and enzymes, respectively, we constructed the peptide logic system computed by the multi-functional peptide probes and outputted by the readable colour change of AuNPs. In this way, the representative binary basic logic gates (AND, OR, INHIBIT, NAND, IMPLICATION) have been achieved by delicately coding the peptide sequence, demonstrating the versatility of our logic system. Additionally, we demonstrated that the three-input combinational logic gate (INHIBIT-OR) could also be successfully integrated and applied as a multi-tasking biosensor for colorimetric detection of dual targets. This nanoparticle-based peptide logic system presents a valid strategy to illustrate peptide information processing and provides a practical platform for executing peptide computing or peptide-related multiplexing sensing, implying that the controllable nanomaterial assembly is a promising and potent methodology for the advancement of biomimetic bio-logic computation. Electronic supplementary information (ESI) available: Additional figures (Tables S1-S3 and Fig. S1-S6). See DOI: 10.1039/c6nr01072e

Shaded-Color Picture Generation of Computer-Defined Arbitrary Shapes

NASA Technical Reports Server (NTRS)

Cozzolongo, J. V.; Hermstad, D. L.; Mccoy, D. S.; Clark, J.

1986-01-01

SHADE computer program generates realistic color-shaded pictures from computer-defined arbitrary shapes. Objects defined for computer representation displayed as smooth, color-shaded surfaces, including varying degrees of transparency. Results also used for presentation of computational results. By performing color mapping, SHADE colors model surface to display analysis results as pressures, stresses, and temperatures. NASA has used SHADE extensively in sign and analysis of high-performance aircraft. Industry should find applications for SHADE in computer-aided design and computer-aided manufacturing. SHADE written in VAX FORTRAN and MACRO Assembler for either interactive or batch execution.

Study to define an approach for developing a computer-based system capable of automatic, unattended assembly/disassembly of spacecraft, phase 1

NASA Technical Reports Server (NTRS)

Nevins, J. L.; Defazio, T. L.; Seltzer, D. S.; Whitney, D. E.

1981-01-01

The initial set of requirements for additional studies necessary to implement a space-borne, computer-based work system capable of achieving assembly, disassembly, repair, or maintenance in space were developed. The specific functions required of a work system to perform repair and maintenance were discussed. Tasks and relevant technologies were identified and delineated. The interaction of spacecraft design and technology options, including a consideration of the strategic issues of repair versus retrieval-replacement or destruction by removal were considered along with the design tradeoffs for accomplishing each of the options. A concept system design and its accompanying experiment or test plan were discussed.

Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

NASA Astrophysics Data System (ADS)

He, Xibing; Shinoda, Wataru; DeVane, Russell; Anderson, Kelly L.; Klein, Michael L.

2010-02-01

A coarse-grained (CG) forcefield for linear alkylbenzene sulfonates (LAS) was systematically parameterized. Thermodynamic data from experiments and structural data obtained from all-atom molecular dynamics were used as targets to parameterize CG potentials for the bonded and non-bonded interactions. The added computational efficiency permits one to employ computer simulation to probe the self-assembly of LAS aqueous solutions into different morphologies starting from a random configuration. The present CG model is shown to accurately reproduce the phase behavior of solutions of pure isomers of sodium dodecylbenzene sulfonate, despite the fact that phase behavior was not directly taken into account in the forcefield parameterization.

Nanoscale superstructures assembled by polymerase chain reaction (PCR): programmable construction, structural diversity, and emerging applications.

PubMed

Kuang, Hua; Ma, Wei; Xu, Liguang; Wang, Libing; Xu, Chuanlai

2013-11-19

Polymerase chain reaction (PCR) is an essential tool in biotechnology laboratories and is becoming increasingly important in other areas of research. Extensive data obtained over the last 12 years has shown that the combination of PCR with nanoscale dispersions can resolve issues in the preparation DNA-based materials that include both inorganic and organic nanoscale components. Unlike conventional DNA hybridization and antibody-antigen complexes, PCR provides a new, effective assembly platform that both increases the yield of DNA-based nanomaterials and allows researchers to program and control assembly with predesigned parameters including those assisted and automated by computers. As a result, this method allows researchers to optimize to the combinatorial selection of the DNA strands for their nanoparticle conjugates. We have developed a PCR approach for producing various nanoscale assemblies including organic motifs such as small molecules, macromolecules, and inorganic building blocks, such as nanorods (NRs), metal, semiconductor, and magnetic nanoparticles (NPs). We start with a nanoscale primer and then modify that building block using the automated steps of PCR-based assembly including initialization, denaturation, annealing, extension, final elongation, and final hold. The intermediate steps of denaturation, annealing, and extension are cyclic, and we use computer control so that the assembled superstructures reach their predetermined complexity. The structures assembled using a small number of PCR cycles show a lower polydispersity than similar discrete structures obtained by direct hybridization between the nanoscale building blocks. Using different building blocks, we assembled the following structural motifs by PCR: (1) discrete nanostructures (NP dimers, NP multimers including trimers, pyramids, tetramers or hexamers, etc.), (2) branched NP superstructures and heterochains, (3) NP satellite-like superstructures, (4) Y-shaped nanostructures and DNA networks, (5) protein-DNA co-assembly structures, and (6) DNA block copolymers including trimers and pentamers. These results affirm that this method can produce a variety of chemical structures and in yields that are tunable. Using PCR-based preparation of DNA-bridged nanostructures, we can program the assembly of the nanoscale blocks through the adjustment of the primer intensity on the assembled units, the number of PCR cycles, or both. The resulting structures are highly complex and diverse and have interesting dynamics and collective properties. Potential applications of these materials include chirooptical materials, probe fabrication, and environmental and biomedical sensors.

Repressor logic modules assembled by rolling circle amplification platform to construct a set of logic gates

PubMed Central

Wei, Hua; Hu, Bo; Tang, Suming; Zhao, Guojie; Guan, Yifu

2016-01-01

Small molecule metabolites and their allosterically regulated repressors play an important role in many gene expression and metabolic disorder processes. These natural sensors, though valuable as good logic switches, have rarely been employed without transcription machinery in cells. Here, two pairs of repressors, which function in opposite ways, were cloned, purified and used to control DNA replication in rolling circle amplification (RCA) in vitro. By using metabolites and repressors as inputs, RCA signals as outputs, four basic logic modules were constructed successfully. To achieve various logic computations based on these basic modules, we designed series and parallel strategies of circular templates, which can further assemble these repressor modules in an RCA platform to realize twelve two-input Boolean logic gates and a three-input logic gate. The RCA-output and RCA-assembled platform was proved to be easy and flexible for complex logic processes and might have application potential in molecular computing and synthetic biology. PMID:27869177

Cylindrical surface profile and diameter measuring tool and method

NASA Technical Reports Server (NTRS)

Currie, James R. (Inventor); Kissel, Ralph R. (Inventor); Smith, Earnest C. (Inventor); Oliver, Charles E. (Inventor); Redmon, John W., Sr. (Inventor); Wallace, Charles C. (Inventor); Swanson, Charles P. (Inventor)

1987-01-01

A tool is shown having a cross beam assembly made of beams joined by a center box structure. The assembly is adapted to be mounted by brackets to the outer end of a cylindrical case. The center box structure has a vertical shaft rotatably mounted therein and extending beneath the assembly. Secured to the vertical shaft is a radius arm which is adapted to rotate with the shaft. On the longer end of the radius arm is a measuring tip which contacts the cylindrical surface to be measured and which provides an electric signal representing the radius of the cylindrical surface from the center of rotation of the radius arm. An electric servomotor rotates the vertical shaft and an electronic resolver provides an electric signal representing the angle of rotation of the shaft. The electric signals are provided to a computer station which has software for its computer to calculate and print out the continuous circumference profile of the cylindrical surface, and give its true diameter and the deviations from the ideal circle.

Neural-like computing with populations of superparamagnetic basis functions.

PubMed

Mizrahi, Alice; Hirtzlin, Tifenn; Fukushima, Akio; Kubota, Hitoshi; Yuasa, Shinji; Grollier, Julie; Querlioz, Damien

2018-04-18

In neuroscience, population coding theory demonstrates that neural assemblies can achieve fault-tolerant information processing. Mapped to nanoelectronics, this strategy could allow for reliable computing with scaled-down, noisy, imperfect devices. Doing so requires that the population components form a set of basis functions in terms of their response functions to inputs, offering a physical substrate for computing. Such a population can be implemented with CMOS technology, but the corresponding circuits have high area or energy requirements. Here, we show that nanoscale magnetic tunnel junctions can instead be assembled to meet these requirements. We demonstrate experimentally that a population of nine junctions can implement a basis set of functions, providing the data to achieve, for example, the generation of cursive letters. We design hybrid magnetic-CMOS systems based on interlinked populations of junctions and show that they can learn to realize non-linear variability-resilient transformations with a low imprint area and low power.

Robust Optimization Design for Turbine Blade-Tip Radial Running Clearance using Hierarchically Response Surface Method

NASA Astrophysics Data System (ADS)

Zhiying, Chen; Ping, Zhou

2017-11-01

Considering the robust optimization computational precision and efficiency for complex mechanical assembly relationship like turbine blade-tip radial running clearance, a hierarchically response surface robust optimization algorithm is proposed. The distribute collaborative response surface method is used to generate assembly system level approximation model of overall parameters and blade-tip clearance, and then a set samples of design parameters and objective response mean and/or standard deviation is generated by using system approximation model and design of experiment method. Finally, a new response surface approximation model is constructed by using those samples, and this approximation model is used for robust optimization process. The analyses results demonstrate the proposed method can dramatic reduce the computational cost and ensure the computational precision. The presented research offers an effective way for the robust optimization design of turbine blade-tip radial running clearance.

A Computer Model for Analyzing Volatile Removal Assembly

NASA Technical Reports Server (NTRS)

Guo, Boyun

2010-01-01

A computer model simulates reactional gas/liquid two-phase flow processes in porous media. A typical process is the oxygen/wastewater flow in the Volatile Removal Assembly (VRA) in the Closed Environment Life Support System (CELSS) installed in the International Space Station (ISS). The volatile organics in the wastewater are combusted by oxygen gas to form clean water and carbon dioxide, which is solved in the water phase. The model predicts the oxygen gas concentration profile in the reactor, which is an indicator of reactor performance. In this innovation, a mathematical model is included in the computer model for calculating the mass transfer from the gas phase to the liquid phase. The amount of mass transfer depends on several factors, including gas-phase concentration, distribution, and reaction rate. For a given reactor dimension, these factors depend on pressure and temperature in the reactor and composition and flow rate of the influent.

Space shuttle main engine computed tomography applications

NASA Technical Reports Server (NTRS)

Sporny, Richard F.

1990-01-01

For the past two years the potential applications of computed tomography to the fabrication and overhaul of the Space Shuttle Main Engine were evaluated. Application tests were performed at various government and manufacturer facilities with equipment produced by four different manufacturers. The hardware scanned varied in size and complexity from a small temperature sensor and turbine blades to an assembled heat exchanger and main injector oxidizer inlet manifold. The evaluation of capabilities included the ability to identify and locate internal flaws, measure the depth of surface cracks, measure wall thickness, compare manifold design contours to actual part contours, perform automatic dimensional inspections, generate 3D computer models of actual parts, and image the relationship of the details in a complex assembly. The capabilities evaluated, with the exception of measuring the depth of surface flaws, demonstrated the existing and potential ability to perform many beneficial Space Shuttle Main Engine applications.

USGS Digital Spectral Library splib05a

USGS Publications Warehouse

Clark, Roger N.; Swayze, Gregg A.; Wise, Richard K.; Livo, Eric; Hoefen, Todd M.; Kokaly, Raymond F.; Sutley, Steve J.

2003-01-01

We have assembled a digital reflectance spectral library of spectra that covers wavelengths from the ultraviolet to near-infrared along with sample documentation. The library includes samples of minerals, rocks, soils, physically constructed as well as mathematically computed mixtures, vegetation, microorganisms, and man-made materials. The samples and spectra collected were assembled for the purpose of using spectral features for the remote detection of these and similar materials.

The CAN Microcluster: Parallel Processing over the Controller Area Network

ERIC Educational Resources Information Center

Kuban, Paul A.; Ragade, Rammohan K.

2005-01-01

Most electrical engineering and computer science undergraduate programs include at least one course on microcontrollers and assembly language programming. Some departments offer legacy courses in C programming, but few include C programming from an embedded systems perspective, where it is still regularly used. Distributed computing and parallel…

The V1.0 ’Pushpin’ Nixel 2-D Self-Assembling Display Array

DTIC Science & Technology

2004-08-01

H. Abelson, D. Allen, D. Coore, C. Hanson, G. Homsy, T. Knight, R. Nagpal , E. Rauch, G. J. Sussntan, and R. Weiss Amorphous Computing Communications...November 2003. [9] R. Nagpal , Organizing a Global Coordinate System from Local Information on an Amorphous Computer, Massachusetts Institute

Engineering Graphics Educational Outcomes for the Global Engineer: An Update

ERIC Educational Resources Information Center

Barr, R. E.

2012-01-01

This paper discusses the formulation of educational outcomes for engineering graphics that span the global enterprise. Results of two repeated faculty surveys indicate that new computer graphics tools and techniques are now the preferred mode of engineering graphical communication. Specifically, 3-D computer modeling, assembly modeling, and model…

The advanced receiver 2: Telemetry test results in CTA 21

NASA Technical Reports Server (NTRS)

Hinedi, S.; Bevan, R.; Marina, M.

1991-01-01

Telemetry tests with the Advanced Receiver II (ARX II) in Compatibility Test Area 21 are described. The ARX II was operated in parallel with a Block-III Receiver/baseband processor assembly combination (BLK-III/BPA) and a Block III Receiver/subcarrier demodulation assembly/symbol synchronization assembly combination (BLK-III/SDA/SSA). The telemetry simulator assembly provided the test signal for all three configurations, and the symbol signal to noise ratio as well as the symbol error rates were measured and compared. Furthermore, bit error rates were also measured by the system performance test computer for all three systems. Results indicate that the ARX-II telemetry performance is comparable and sometimes superior to the BLK-III/BPA and BLK-III/SDA/SSA combinations.

Optofluidic encapsulation and manipulation of silicon microchips using image processing based optofluidic maskless lithography and railed microfluidics.

PubMed

Chung, Su Eun; Lee, Seung Ah; Kim, Jiyun; Kwon, Sunghoon

2009-10-07

We demonstrate optofluidic encapsulation of silicon microchips using image processing based optofluidic maskless lithography and manipulation using railed microfluidics. Optofluidic maskless lithography is a dynamic photopolymerization technique of free-floating microstructures within a fluidic channel using spatial light modulator. Using optofluidic maskless lithography via computer-vision aided image processing, polymer encapsulants are fabricated for chip protection and guiding-fins for efficient chip conveying within a fluidic channel. Encapsulated silicon chips with guiding-fins are assembled using railed microfluidics, which is an efficient guiding and heterogeneous self-assembly system of microcomponents. With our technology, externally fabricated silicon microchips are encapsulated, fluidically guided and self-assembled potentially enabling low cost fluidic manipulation and assembly of integrated circuits.

A biomimetic colorimetric logic gate system based on multi-functional peptide-mediated gold nanoparticle assembly.

PubMed

Li, Yong; Li, Wang; He, Kai-Yu; Li, Pei; Huang, Yan; Nie, Zhou; Yao, Shou-Zhuo

2016-04-28

In natural biological systems, proteins exploit various functional peptide motifs to exert target response and activity switch, providing a functional and logic basis for complex cellular activities. Building biomimetic peptide-based bio-logic systems is highly intriguing but remains relatively unexplored due to limited logic recognition elements and complex signal outputs. In this proof-of-principle work, we attempted to address these problems by utilizing multi-functional peptide probes and the peptide-mediated nanoparticle assembly system. Here, the rationally designed peptide probes function as the dual-target responsive element specifically responsive to metal ions and enzymes as well as the mediator regulating the assembly of gold nanoparticles (AuNPs). Taking advantage of Zn2+ ions and chymotrypsin as the model inputs of metal ions and enzymes, respectively, we constructed the peptide logic system computed by the multi-functional peptide probes and outputted by the readable colour change of AuNPs. In this way, the representative binary basic logic gates (AND, OR, INHIBIT, NAND, IMPLICATION) have been achieved by delicately coding the peptide sequence, demonstrating the versatility of our logic system. Additionally, we demonstrated that the three-input combinational logic gate (INHIBIT-OR) could also be successfully integrated and applied as a multi-tasking biosensor for colorimetric detection of dual targets. This nanoparticle-based peptide logic system presents a valid strategy to illustrate peptide information processing and provides a practical platform for executing peptide computing or peptide-related multiplexing sensing, implying that the controllable nanomaterial assembly is a promising and potent methodology for the advancement of biomimetic bio-logic computation.

Investigation of the Performance of D 2O-Cooled High-Conversion Reactors for Fuel Cycle Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hiruta, Hikaru; Youinou, Gilles

2013-09-01

This report presents FY13 activities for the analysis of D 2O cooled tight-pitch High-Conversion PWRs (HCPWRs) with U-Pu and Th-U fueled cores aiming at break-even or near breeder conditions while retaining the negative void reactivity. The analyses are carried out from several aspects which could not be covered in FY12 activities. SCALE 6.1 code system is utilized, and a series of simple 3D fuel pin-cell models are developed in order to perform Monte Carlo based criticality and burnup calculations. The performance of U-Pu fueled cores with axial and internal blankets is analyzed in terms of their impact on the relativemore » fissile Pu mass balance, initial Pu enrichment, and void coefficient. In FY12, Pu conversion performances of D 2O-cooled HCPWRs fueled with MOX were evaluated with small sized axial/internal DU blankets (approximately 4cm of axial length) in order to ensure the negative void reactivity, which evidently limits the conversion performance of HCPWRs. In this fiscal year report, the axial sizes of DU blankets are extended up to 30 cm in order to evaluate the amount of DU necessary to reach break-even and/or breeding conditions. Several attempts are made in order to attain the milestone of the HCPWR designs (i.e., break-even condition and negative void reactivity) by modeling of HCPWRs under different conditions such as boiling of D 2O coolant, MOX with different 235U enrichment, and different target burnups. A similar set of analyses are performed for Th-U fueled cores. Several promising characteristics of 233U over other fissile like 239Pu and 235U, most notably its higher fission neutrons per absorption in thermal and epithermal ranges combined with lower ___ in the fast range than 239Pu allows Th-U cores to be taller than MOX ones. Such an advantage results in 4% higher relative fissile mass balance than that of U-Pu fueled cores while retaining the negative void reactivity until the target burnup of 51 GWd/t. Several other distinctions between U-Pu and Th-U fueled cores are identified by evaluating the sensitivity coefficients of keff, mass balance, and void coefficient. The effect of advanced iron alloy cladding (i.e., FeCrAl) on the performance of Pu conversion in MOX fueled cores is studied instead of using standard stainless-steel cladding. Variations in clad thickness and coolant-to-fuel volume ratio are also exercised. The use of FeCrAl instead of SS as a cladding alloy reduces the required Pu enrichment and improves the Pu conversion rate primarily due to the absence of nickel in the cladding alloy that results in the reduction of the neutron absorption. Also the difference in void coefficients between SS and FeCrAl alloys is nearly 500 pcm over the entire burnup range. The report also shows sensitivity and uncertainty analyses in order to characterize D 2O cooled HCPWRs from different aspects. The uncertainties of integral parameters (keff and void coefficient) for selected reactor cores are evaluated at different burnup points in order to find similarities and trends respect to D 2O-HCPWR.« less

A shuttle and space station manipulator system for assembly, docking, maintenance, cargo handling and spacecraft retrieval (preliminary design). Volume 3: Concept analysis. Part 1: Technical

NASA Technical Reports Server (NTRS)

1972-01-01

Information backing up the key features of the manipulator system concept and detailed technical information on the subsystems are presented. Space station assembly and shuttle cargo handling tasks are emphasized in the concept analysis because they involve shuttle berthing, transferring the manipulator boom between shuttle and station, station assembly, and cargo handling. Emphasis is also placed on maximizing commonality in the system areas of manipulator booms, general purpose end effectors, control and display, data processing, telemetry, dedicated computers, and control station design.

Review of General Algorithmic Features for Genome Assemblers for Next Generation Sequencers

PubMed Central

Wajid, Bilal; Serpedin, Erchin

2012-01-01

In the realm of bioinformatics and computational biology, the most rudimentary data upon which all the analysis is built is the sequence data of genes, proteins and RNA. The sequence data of the entire genome is the solution to the genome assembly problem. The scope of this contribution is to provide an overview on the art of problem-solving applied within the domain of genome assembly in the next-generation sequencing (NGS) platforms. This article discusses the major genome assemblers that were proposed in the literature during the past decade by outlining their basic working principles. It is intended to act as a qualitative, not a quantitative, tutorial to all working on genome assemblers pertaining to the next generation of sequencers. We discuss the theoretical aspects of various genome assemblers, identifying their working schemes. We also discuss briefly the direction in which the area is headed towards along with discussing core issues on software simplicity. PMID:22768980

Water ordering controls the dynamic equilibrium of micelle-fibre formation in self-assembly of peptide amphiphiles.

PubMed

Deshmukh, Sanket A; Solomon, Lee A; Kamath, Ganesh; Fry, H Christopher; Sankaranarayanan, Subramanian K R S

2016-08-24

Understanding the role of water in governing the kinetics of the self-assembly processes of amphiphilic peptides remains elusive. Here, we use a multistage atomistic-coarse-grained approach, complemented by circular dichroism/infrared spectroscopy and dynamic light scattering experiments to highlight the dual nature of water in driving the self-assembly of peptide amphiphiles (PAs). We show computationally that water cage formation and breakage near the hydrophobic groups control the fusion dynamics and aggregation of PAs in the micellar stage. Simulations also suggest that enhanced structural ordering of vicinal water near the hydrophilic amino acids shifts the equilibrium towards the fibre phase and stimulates structure and order during the PA assembly into nanofibres. Experiments validate our simulation findings; the measured infrared O-H bond stretching frequency is reminiscent of an ice-like bond which suggests that the solvated water becomes increasingly ordered with time in the assembled peptide network, thus shedding light on the role of water in a self-assembly process.

Automatic Assembly of Combined Checkingfixture for Auto-Body Components Based Onfixture Elements Libraries

NASA Astrophysics Data System (ADS)

Jiang, Jingtao; Sui, Rendong; Shi, Yan; Li, Furong; Hu, Caiqi

In this paper 3-D models of combined fixture elements are designed, classified by their functions, and saved in computer as supporting elements library, jointing elements library, basic elements library, localization elements library, clamping elements library, and adjusting elements library etc. Then automatic assembly of 3-D combined checking fixture for auto-body part is presented based on modularization theory. And in virtual auto-body assembly space, Locating constraint mapping technique and assembly rule-based reasoning technique are used to calculate the position of modular elements according to localization points and clamp points of auto-body part. Auto-body part model is transformed from itself coordinate system space to virtual assembly space by homogeneous transformation matrix. Automatic assembly of different functional fixture elements and auto-body part is implemented with API function based on the second development of UG. It is proven in practice that the method in this paper is feasible and high efficiency.

Computational protein design: a review

NASA Astrophysics Data System (ADS)

Coluzza, Ivan

2017-04-01

Proteins are one of the most versatile modular assembling systems in nature. Experimentally, more than 110 000 protein structures have been identified and more are deposited every day in the Protein Data Bank. Such an enormous structural variety is to a first approximation controlled by the sequence of amino acids along the peptide chain of each protein. Understanding how the structural and functional properties of the target can be encoded in this sequence is the main objective of protein design. Unfortunately, rational protein design remains one of the major challenges across the disciplines of biology, physics and chemistry. The implications of solving this problem are enormous and branch into materials science, drug design, evolution and even cryptography. For instance, in the field of drug design an effective computational method to design protein-based ligands for biological targets such as viruses, bacteria or tumour cells, could give a significant boost to the development of new therapies with reduced side effects. In materials science, self-assembly is a highly desired property and soon artificial proteins could represent a new class of designable self-assembling materials. The scope of this review is to describe the state of the art in computational protein design methods and give the reader an outline of what developments could be expected in the near future.

A new strategy for genome assembly using short sequence reads and reduced representation libraries.

PubMed

Young, Andrew L; Abaan, Hatice Ozel; Zerbino, Daniel; Mullikin, James C; Birney, Ewan; Margulies, Elliott H

2010-02-01

We have developed a novel approach for using massively parallel short-read sequencing to generate fast and inexpensive de novo genomic assemblies comparable to those generated by capillary-based methods. The ultrashort (<100 base) sequences generated by this technology pose specific biological and computational challenges for de novo assembly of large genomes. To account for this, we devised a method for experimentally partitioning the genome using reduced representation (RR) libraries prior to assembly. We use two restriction enzymes independently to create a series of overlapping fragment libraries, each containing a tractable subset of the genome. Together, these libraries allow us to reassemble the entire genome without the need of a reference sequence. As proof of concept, we applied this approach to sequence and assembled the majority of the 125-Mb Drosophila melanogaster genome. We subsequently demonstrate the accuracy of our assembly method with meaningful comparisons against the current available D. melanogaster reference genome (dm3). The ease of assembly and accuracy for comparative genomics suggest that our approach will scale to future mammalian genome-sequencing efforts, saving both time and money without sacrificing quality.

Simulations of polymorphic icosahedral shells assembling around many cargo molecules

NASA Astrophysics Data System (ADS)

Mohajerani, Farzaneh; Perlmutter, Jason; Hagan, Michael

Bacterial microcompartments (BMCs) are large icosahedral shells that sequester the enzymes and reactants responsible for particular metabolic pathways in bacteria. Although different BMCs vary in size and encapsulate different cargoes, they are constructed from similar pentameric and hexameric shell proteins. Despite recent groundbreaking experiments which visualized the formation of individual BMCs, the detailed assembly pathways and the factors which control shell size remain unclear. In this talk, we describe theoretical and computational models that describe the dynamical encapsulation of hundreds of cargo molecules by self-assembling icosahedral shells. We present phase diagrams and analysis of dynamical simulation trajectories showing how the thermodynamics, assembly pathways, and emergent structures depend on the interactions among shell proteins and cargo molecules. Our model suggests a mechanism for controlling insertion of the 12 pentamers required for a closed shell topology, and the relationship between assembly pathway and BMC size polydispersity. In addition to elucidating how native BMCs assemble,our results establish principles for reengineering BMCs or viral capsids as customizable nanoreactors that can assemble around a programmable set of enzymes and reactants. Supported by NIH R01GM108021 and Brandeis MRSEC DMR-1420382.

Guided and magnetic self-assembly of tunable magnetoceptive gels

NASA Astrophysics Data System (ADS)

Tasoglu, S.; Yu, C. H.; Gungordu, H. I.; Guven, S.; Vural, T.; Demirci, U.

2014-09-01

Self-assembly of components into complex functional patterns at microscale is common in nature, and used increasingly in numerous disciplines such as optoelectronics, microfabrication, sensors, tissue engineering and computation. Here, we describe the use of stable radicals to guide the self-assembly of magnetically tunable gels, which we call ‘magnetoceptive’ materials at the scale of hundreds of microns to a millimeter, each can be programmed by shape and composition, into heterogeneous complex structures. Using paramagnetism of free radicals as a driving mechanism, complex heterogeneous structures are built in the magnetic field generated by permanent magnets. The overall magnetic signature of final structure is erased via an antioxidant vitamin E, subsequent to guided self-assembly. We demonstrate unique capabilities of radicals and antioxidants in fabrication of soft systems with heterogeneity in material properties, such as porosity, elastic modulus and mass density; then in bottom-up tissue engineering and finally, levitational and selective assembly of microcomponents.

Guided and magnetic self-assembly of tunable magnetoceptive gels

PubMed Central

Tasoglu, S.; Yu, C.H.; Gungordu, H.I.; Guven, S.; Vural, T.; Demirci, U.

2014-01-01

Self-assembly of components into complex functional patterns at microscale is common in nature, and used increasingly in numerous disciplines such as optoelectronics, microfabrication, sensors, tissue engineering and computation. Here, we describe the use of stable radicals to guide the self-assembly of magnetically tunable gels, which we call ‘magnetoceptive’ materials at the scale of hundreds of microns to a millimeter, each can be programmed by shape and composition, into heterogeneous complex structures. Using paramagnetism of free radicals as a driving mechanism, complex heterogeneous structures are built in the magnetic field generated by permanent magnets. The overall magnetic signature of final structure is erased via an antioxidant vitamin E, subsequent to guided self-assembly. We demonstrate unique capabilities of radicals and antioxidants in fabrication of soft systems with heterogeneity in material properties, such as porosity, elastic modulus and mass density; then in bottom-up tissue engineering and finally, levitational and selective assembly of microcomponents. PMID:25175148

The basic features of a closed fuel cycle without fast reactors

NASA Astrophysics Data System (ADS)

Bobrov, E. A.; Alekseev, P. N.; Teplov, P. S.

2017-01-01

In this paper the basic features of a closed fuel cycle with thermal reactors are considered. The three variants of multiple Pu and U recycling in VVER reactors was investigated. The comparison of MOX and REMIX fuel approaches for closed fuel cycle with thermal reactors is presented. All variants make possible to recycle several times the total amount of Pu and U obtained from spent fuel. The reported study was funded by RFBR according to the research project № 16-38-00021

Hybrid Co-deposition of Mixed-Valent Molybdenum-Germanium Oxides (MoxGeyOz): A Route to Tunable Optical Transmission (Postprint)

DTIC Science & Technology

2015-08-05

to increased doping levels in indirect semiconductors [84]. The slope, and magnitude of the transmission curves continue to decrease alongside UL...periodically aluminium- doped zinc oxide thin films, Thin Solid Films 519 (2011) 2280–2286. [2] T. Minami, H. Nanto, S. Takata, Highly conductive and...transparent aluminum doped zinc oxide thin films prepared by RF magnetron sputtering, Jpn. J. Appl. Phys. 23 (1984) L280. [3] T. Minami, Present status of

Compensated Crystal Assemblies for Type-II Entangled Photon Generation in Quantum Cluster States

DTIC Science & Technology

2010-03-01

in quantum computational architectures that operate by principles entirely distinct from any based on classical physics. In contrast with other...of the SPDC spectral function, to enable applications in regions that have not been accessible with other methods. Quantum Information and Computation ...Eliminating frequency and space-time correlations in multi-photon states, PRA 64, 063815, 2001 [2]A. Zeilinger et.al. Experimental One-way computing

Investigation, Development, and Evaluation of Performance Proving for Fault-tolerant Computers

NASA Technical Reports Server (NTRS)

Levitt, K. N.; Schwartz, R.; Hare, D.; Moore, J. S.; Melliar-Smith, P. M.; Shostak, R. E.; Boyer, R. S.; Green, M. W.; Elliott, W. D.

1983-01-01

A number of methodologies for verifying systems and computer based tools that assist users in verifying their systems were developed. These tools were applied to verify in part the SIFT ultrareliable aircraft computer. Topics covered included: STP theorem prover; design verification of SIFT; high level language code verification; assembly language level verification; numerical algorithm verification; verification of flight control programs; and verification of hardware logic.

Surface Modification Engineered Assembly of Novel Quantum Dot Architectures for Advanced Applications

DTIC Science & Technology

2008-02-09

Campbell, S. Ogata, and F. Shimojo, “ Multimillion atom simulations of nanosystems on parallel computers,” in Proceedings of the International...nanomesas: multimillion -atom molecular dynamics simulations on parallel computers,” J. Appl. Phys. 94, 6762 (2003). 21. P. Vashishta, R. K. Kalia...and A. Nakano, “ Multimillion atom molecular dynamics simulations of nanoparticles on parallel computers,” Journal of Nanoparticle Research 5, 119-135

Enabling Graph Appliance for Genome Assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Rina; Graves, Jeffrey A; Lee, Sangkeun

2015-01-01

In recent years, there has been a huge growth in the amount of genomic data available as reads generated from various genome sequencers. The number of reads generated can be huge, ranging from hundreds to billions of nucleotide, each varying in size. Assembling such large amounts of data is one of the challenging computational problems for both biomedical and data scientists. Most of the genome assemblers developed have used de Bruijn graph techniques. A de Bruijn graph represents a collection of read sequences by billions of vertices and edges, which require large amounts of memory and computational power to storemore » and process. This is the major drawback to de Bruijn graph assembly. Massively parallel, multi-threaded, shared memory systems can be leveraged to overcome some of these issues. The objective of our research is to investigate the feasibility and scalability issues of de Bruijn graph assembly on Cray s Urika-GD system; Urika-GD is a high performance graph appliance with a large shared memory and massively multithreaded custom processor designed for executing SPARQL queries over large-scale RDF data sets. However, to the best of our knowledge, there is no research on representing a de Bruijn graph as an RDF graph or finding Eulerian paths in RDF graphs using SPARQL for potential genome discovery. In this paper, we address the issues involved in representing a de Bruin graphs as RDF graphs and propose an iterative querying approach for finding Eulerian paths in large RDF graphs. We evaluate the performance of our implementation on real world ebola genome datasets and illustrate how genome assembly can be accomplished with Urika-GD using iterative SPARQL queries.« less

A User Modelling Approach for Computer-Based Critiquing

DTIC Science & Technology

1990-01-01

example a CAD/CAM system). Com- puters are good for simulating in circumstances where training on the actual equip- 13 ment (for example a power plant or...system. It is an environment in which simulated devices, such as steam plant controllers, can be assembled and operated. Students can assemble a...Con- cordia hypermedia system, graphics can be integrated easily. Concordia is a hy- permedia development and presentation system available on the

Atomistic Design and Simulations of Nanoscale Machines and Assembly

NASA Technical Reports Server (NTRS)

Goddard, William A., III; Cagin, Tahir; Walch, Stephen P.

2000-01-01

Over the three years of this project, we made significant progress on critical theoretical and computational issues in nanoscale science and technology, particularly in:(1) Fullerenes and nanotubes, (2) Characterization of surfaces of diamond and silicon for NEMS applications, (3) Nanoscale machine and assemblies, (4) Organic nanostructures and dendrimers, (5) Nanoscale confinement and nanotribology, (6) Dynamic response of nanoscale structures nanowires (metals, tubes, fullerenes), (7) Thermal transport in nanostructures.

Dynamic self-assembly and self-organized transport of magnetic micro-swimmers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kokot, Gasper; Kolmakov, German V.; Aranson, Igor S.

We demonstrate experimentally and in computer simulations that magnetic microfloaters can self-organize into various functional structures while energized by an external alternating (ac) magnetic field. The structures exhibit self-propelled motion and an ability to carry a cargo along a pre-defined path. As a result, the morphology of the self-assembled swimmers is controlled by the frequency and amplitude of the magnetic field.

Dynamic self-assembly and self-organized transport of magnetic micro-swimmers

DOE PAGES

Kokot, Gasper; Kolmakov, German V.; Aranson, Igor S.; ...

2017-11-07

We demonstrate experimentally and in computer simulations that magnetic microfloaters can self-organize into various functional structures while energized by an external alternating (ac) magnetic field. The structures exhibit self-propelled motion and an ability to carry a cargo along a pre-defined path. As a result, the morphology of the self-assembled swimmers is controlled by the frequency and amplitude of the magnetic field.

Advanced Extravehicular Mobility Unit Informatics Software Design

NASA Technical Reports Server (NTRS)

Wright, Theodore

2014-01-01

This is a description of the software design for the 2013 edition of the Advanced Extravehicular Mobility Unit (AEMU) Informatics computer assembly. The Informatics system is an optional part of the space suit assembly. It adds a graphical interface for displaying suit status, timelines, procedures, and caution and warning information. In the future it will display maps with GPS position data, and video and still images captured by the astronaut.

Mechanical and Assembly Units of Viral Capsids Identified via Quasi-Rigid Domain Decomposition

PubMed Central

Polles, Guido; Indelicato, Giuliana; Potestio, Raffaello; Cermelli, Paolo; Twarock, Reidun; Micheletti, Cristian

2013-01-01

Key steps in a viral life-cycle, such as self-assembly of a protective protein container or in some cases also subsequent maturation events, are governed by the interplay of physico-chemical mechanisms involving various spatial and temporal scales. These salient aspects of a viral life cycle are hence well described and rationalised from a mesoscopic perspective. Accordingly, various experimental and computational efforts have been directed towards identifying the fundamental building blocks that are instrumental for the mechanical response, or constitute the assembly units, of a few specific viral shells. Motivated by these earlier studies we introduce and apply a general and efficient computational scheme for identifying the stable domains of a given viral capsid. The method is based on elastic network models and quasi-rigid domain decomposition. It is first applied to a heterogeneous set of well-characterized viruses (CCMV, MS2, STNV, STMV) for which the known mechanical or assembly domains are correctly identified. The validated method is next applied to other viral particles such as L-A, Pariacoto and polyoma viruses, whose fundamental functional domains are still unknown or debated and for which we formulate verifiable predictions. The numerical code implementing the domain decomposition strategy is made freely available. PMID:24244139

SvABA: genome-wide detection of structural variants and indels by local assembly.

PubMed

Wala, Jeremiah A; Bandopadhayay, Pratiti; Greenwald, Noah F; O'Rourke, Ryan; Sharpe, Ted; Stewart, Chip; Schumacher, Steve; Li, Yilong; Weischenfeldt, Joachim; Yao, Xiaotong; Nusbaum, Chad; Campbell, Peter; Getz, Gad; Meyerson, Matthew; Zhang, Cheng-Zhong; Imielinski, Marcin; Beroukhim, Rameen

2018-04-01

Structural variants (SVs), including small insertion and deletion variants (indels), are challenging to detect through standard alignment-based variant calling methods. Sequence assembly offers a powerful approach to identifying SVs, but is difficult to apply at scale genome-wide for SV detection due to its computational complexity and the difficulty of extracting SVs from assembly contigs. We describe SvABA, an efficient and accurate method for detecting SVs from short-read sequencing data using genome-wide local assembly with low memory and computing requirements. We evaluated SvABA's performance on the NA12878 human genome and in simulated and real cancer genomes. SvABA demonstrates superior sensitivity and specificity across a large spectrum of SVs and substantially improves detection performance for variants in the 20-300 bp range, compared with existing methods. SvABA also identifies complex somatic rearrangements with chains of short (<1000 bp) templated-sequence insertions copied from distant genomic regions. We applied SvABA to 344 cancer genomes from 11 cancer types and found that short templated-sequence insertions occur in ∼4% of all somatic rearrangements. Finally, we demonstrate that SvABA can identify sites of viral integration and cancer driver alterations containing medium-sized (50-300 bp) SVs. © 2018 Wala et al.; Published by Cold Spring Harbor Laboratory Press.

Hierarchical Order Parameters for Macromolecular Assembly Simulations I: Construction and Dynamical Properties of Order Parameters

PubMed Central

Singharoy, Abhishek; Sereda, Yuriy

2012-01-01

Macromolecular assemblies often display a hierarchical organization of macromolecules or their sub-assemblies. To model this, we have formulated a space warping method that enables capturing overall macromolecular structure and dynamics via a set of coarse-grained order parameters (OPs). This article is the first of two describing the construction and computational implementation of an additional class of OPs that has built into them the hierarchical architecture of macromolecular assemblies. To accomplish this, first, the system is divided into subsystems, each of which is described via a representative set of OPs. Then, a global set of variables is constructed from these subsystem-centered OPs to capture overall system organization. Dynamical properties of the resulting OPs are compared to those of our previous nonhierarchical ones, and implied conceptual and computational advantages are discussed for a 100ns, 2 million atom solvated Human Papillomavirus-like particle simulation. In the second article, the hierarchical OPs are shown to enable a multiscale analysis that starts with the N-atom Liouville equation and yields rigorous Langevin equations of stochastic OP dynamics. The latter is demonstrated via a force-field based simulation algorithm that probes key structural transition pathways, simultaneously accounting for all-atom details and overall structure. PMID:22661911

Inexpensive Miniature Programmable Magnetic Stirrer from Reconfigured Computer Parts

ERIC Educational Resources Information Center

Mercer, Conan; Leech, Donal

2017-01-01

This technology report outlines a robust and easy to assemble magnetic stirrer that is programmable. All of the parts are recycled from obsolete computer hardware except the Arduino microcontroller and motor driver, at a total cost of around $40. This multidisciplinary approach introduces microcontrollers to students and grants the opportunity to…

USSR Report, Cybernetics, Computers and Automation Technology

DTIC Science & Technology

1987-03-31

version of the system was tested by adapting PAL-11 and MACRO-11 assembly code for the "Elektronika=60" and "Elektronika-60M" computers; ASM -86 for the...GS, "On the Results of Evaluation of Insurance Payments in Collective and State Farms and Private Households," the actuarial analysis tables based

Comparing de novo assemblers for 454 transcriptome data

PubMed Central

2010-01-01

Background Roche 454 pyrosequencing has become a method of choice for generating transcriptome data from non-model organisms. Once the tens to hundreds of thousands of short (250-450 base) reads have been produced, it is important to correctly assemble these to estimate the sequence of all the transcripts. Most transcriptome assembly projects use only one program for assembling 454 pyrosequencing reads, but there is no evidence that the programs used to date are optimal. We have carried out a systematic comparison of five assemblers (CAP3, MIRA, Newbler, SeqMan and CLC) to establish best practices for transcriptome assemblies, using a new dataset from the parasitic nematode Litomosoides sigmodontis. Results Although no single assembler performed best on all our criteria, Newbler 2.5 gave longer contigs, better alignments to some reference sequences, and was fast and easy to use. SeqMan assemblies performed best on the criterion of recapitulating known transcripts, and had more novel sequence than the other assemblers, but generated an excess of small, redundant contigs. The remaining assemblers all performed almost as well, with the exception of Newbler 2.3 (the version currently used by most assembly projects), which generated assemblies that had significantly lower total length. As different assemblers use different underlying algorithms to generate contigs, we also explored merging of assemblies and found that the merged datasets not only aligned better to reference sequences than individual assemblies, but were also more consistent in the number and size of contigs. Conclusions Transcriptome assemblies are smaller than genome assemblies and thus should be more computationally tractable, but are often harder because individual contigs can have highly variable read coverage. Comparing single assemblers, Newbler 2.5 performed best on our trial data set, but other assemblers were closely comparable. Combining differently optimal assemblies from different programs however gave a more credible final product, and this strategy is recommended. PMID:20950480

Benchmarking undedicated cloud computing providers for analysis of genomic datasets.

PubMed

Yazar, Seyhan; Gooden, George E C; Mackey, David A; Hewitt, Alex W

2014-01-01

A major bottleneck in biological discovery is now emerging at the computational level. Cloud computing offers a dynamic means whereby small and medium-sized laboratories can rapidly adjust their computational capacity. We benchmarked two established cloud computing services, Amazon Web Services Elastic MapReduce (EMR) on Amazon EC2 instances and Google Compute Engine (GCE), using publicly available genomic datasets (E.coli CC102 strain and a Han Chinese male genome) and a standard bioinformatic pipeline on a Hadoop-based platform. Wall-clock time for complete assembly differed by 52.9% (95% CI: 27.5-78.2) for E.coli and 53.5% (95% CI: 34.4-72.6) for human genome, with GCE being more efficient than EMR. The cost of running this experiment on EMR and GCE differed significantly, with the costs on EMR being 257.3% (95% CI: 211.5-303.1) and 173.9% (95% CI: 134.6-213.1) more expensive for E.coli and human assemblies respectively. Thus, GCE was found to outperform EMR both in terms of cost and wall-clock time. Our findings confirm that cloud computing is an efficient and potentially cost-effective alternative for analysis of large genomic datasets. In addition to releasing our cost-effectiveness comparison, we present available ready-to-use scripts for establishing Hadoop instances with Ganglia monitoring on EC2 or GCE.

Benchmarking Undedicated Cloud Computing Providers for Analysis of Genomic Datasets

PubMed Central

Yazar, Seyhan; Gooden, George E. C.; Mackey, David A.; Hewitt, Alex W.

2014-01-01

A major bottleneck in biological discovery is now emerging at the computational level. Cloud computing offers a dynamic means whereby small and medium-sized laboratories can rapidly adjust their computational capacity. We benchmarked two established cloud computing services, Amazon Web Services Elastic MapReduce (EMR) on Amazon EC2 instances and Google Compute Engine (GCE), using publicly available genomic datasets (E.coli CC102 strain and a Han Chinese male genome) and a standard bioinformatic pipeline on a Hadoop-based platform. Wall-clock time for complete assembly differed by 52.9% (95% CI: 27.5–78.2) for E.coli and 53.5% (95% CI: 34.4–72.6) for human genome, with GCE being more efficient than EMR. The cost of running this experiment on EMR and GCE differed significantly, with the costs on EMR being 257.3% (95% CI: 211.5–303.1) and 173.9% (95% CI: 134.6–213.1) more expensive for E.coli and human assemblies respectively. Thus, GCE was found to outperform EMR both in terms of cost and wall-clock time. Our findings confirm that cloud computing is an efficient and potentially cost-effective alternative for analysis of large genomic datasets. In addition to releasing our cost-effectiveness comparison, we present available ready-to-use scripts for establishing Hadoop instances with Ganglia monitoring on EC2 or GCE. PMID:25247298

Independent assessment and improvement of wheat genome sequence assemblies using Fosill jumping libraries.

PubMed

Lu, Fu-Hao; McKenzie, Neil; Kettleborough, George; Heavens, Darren; Clark, Matthew D; Bevan, Michael W

2018-05-01

The accurate sequencing and assembly of very large, often polyploid, genomes remains a challenging task, limiting long-range sequence information and phased sequence variation for applications such as plant breeding. The 15-Gb hexaploid bread wheat (Triticum aestivum) genome has been particularly challenging to sequence, and several different approaches have recently generated long-range assemblies. Mapping and understanding the types of assembly errors are important for optimising future sequencing and assembly approaches and for comparative genomics. Here we use a Fosill 38-kb jumping library to assess medium and longer-range order of different publicly available wheat genome assemblies. Modifications to the Fosill protocol generated longer Illumina sequences and enabled comprehensive genome coverage. Analyses of two independent Bacterial Artificial Chromosome (BAC)-based chromosome-scale assemblies, two independent Illumina whole genome shotgun assemblies, and a hybrid Single Molecule Real Time (SMRT-PacBio) and short read (Illumina) assembly were carried out. We revealed a surprising scale and variety of discrepancies using Fosill mate-pair mapping and validated several of each class. In addition, Fosill mate-pairs were used to scaffold a whole genome Illumina assembly, leading to a 3-fold increase in N50 values. Our analyses, using an independent means to validate different wheat genome assemblies, show that whole genome shotgun assemblies based solely on Illumina sequences are significantly more accurate by all measures compared to BAC-based chromosome-scale assemblies and hybrid SMRT-Illumina approaches. Although current whole genome assemblies are reasonably accurate and useful, additional improvements will be needed to generate complete assemblies of wheat genomes using open-source, computationally efficient, and cost-effective methods.