Science.gov

Sample records for deterministic site exchange

  1. Deterministic replica-exchange method without pseudo random numbers for simulations of complex systems

    NASA Astrophysics Data System (ADS)

    Urano, Ryo; Okamoto, Yuko

    2015-12-01

    We propose a replica-exchange method (REM) which does not use pseudo random numbers. For this purpose, we first give a conditional probability for Gibbs sampling replica-exchange method (GSREM) based on the heat bath method. In GSREM, replica exchange is performed by conditional probability based on the weight of states using pseudo random numbers. From the conditional probability, we propose a new method called deterministic replica-exchange method (DETREM) that produces thermal equilibrium distribution based on a differential equation instead of using pseudo random numbers. This method satisfies the detailed balance condition using a conditional probability of Gibbs heat bath method and thus results can reproduce the Boltzmann distribution within the condition of the probability. We confirmed that the equivalent results were obtained by REM and DETREM with two-dimensional Ising model. DETREM can avoid problems of choice of seeds in pseudo random numbers for parallel computing of REM and gives analytic method for REM using a differential equation.

  2. Estimating Deep Flux at a Humid Site in South Carolina Using Deterministic and Monte Carlo Modeling

    NASA Astrophysics Data System (ADS)

    Young, M. H.; Pohlmann, K. F.; Nichols, R. L.; Dixon, K. L.; Holmes-Burns, H.

    2002-05-01

    Estimates of deep flux of precipitation were needed for performance assessment calculations for a disposal site at the Savannah River Site, SC. The overall goal of the project was to estimate deep flux using laboratory analysis of soil texture and hydraulic properties, and field data from cone penetrometer tests and a vadose zone monitoring system installed at the site. The approach involved the following tasks: converting laboratory soil hydraulic property data into functional relationships; assigning these functional relationships to soil layers identified using CPT data; calibrating the models using observed meteorological conditions and subsurface instrument responses; and conducting deterministic and Monte Carlo modeling to estimate the range of potential flux values for short-term (207 day) and long-term (10 yr) simulations. Short-term Monte Carlo results indicate a median water flux rate of between 23 and 31 cm/yr, depending on how layer properties in the model were assigned; flux rates were highly sensitive to the hydraulic conductivity. Deterministic results for 10-yr simulations showed that fluxes were approximately 23 cm and 25 cm for the 1977-87 and 1987-97 simulations, respectively. Monte Carlo results (10-yr) indicated annualized flux rates between 21-25 cm/yr at the 90 percent confidence level for the 1987-1997 period. Modeling results were consistent with field observations. The results can be useful for guiding further site monitoring and modeling efforts as part of the SRS performance assessment.

  3. New Implementations of Replica-exchange Method for Simulations of Complex Systems: Designed-walk and Deterministic Replica-exchange Methods

    NASA Astrophysics Data System (ADS)

    Urano, Ryo; Okamoto, Yuko

    Two new methods of replica-exchange method (REM) are tested for a two-dimensional Ising spin model. The first method is the deterministic replica-exchange method (DETREM) which uses a differential equation based on Gibbs sampling method instead of Metropolis criteria. The other is the designed-walk replica-exchange method (DEWREM) which determines the trajectory of replica in temperature space without random walk. This method gives more number of tunneling events than conventional REM, where the tunneling event is a round-trip of temperature from the lowest to the highest back to the lowest. We examined physical quantities such as magnetization and susceptibility. Our new methods reproduced the results of the conventional random-walk REM.

  4. Calibration of Deterministic Streamflow Models in Ungaged Basins Using Statistically-Derived At-Site Streamflow Simulations

    NASA Astrophysics Data System (ADS)

    Farmer, W. H.; Hay, L.; Kiang, J. E.

    2016-12-01

    The continental-scale streamflow network provides vital information for quantifying water resources in the U.S., however, large portions of the U.S. remain ungaged and require streamflow to be estimated. Validation of streamflow models in ungaged basins is difficult due to the lack of observed daily streamflow data for model calibration. This difficulty often leads researchers to rely on regional statistical models (regionalizations) that are limited to the time series of the streamflow variable of interest and offer limited additional hydrologic outputs beyond the variable of interest compared to deterministic streamflow models, which are capable of modeling multiple elements of the water budget simultaneously. This work combines statistically-derived streamflows at ungaged locations to calibrate a popular hydrologic model, PRMS (Precipitation-Runoff Modeling System). Combining this statistically-derived, at-site information with observations of other hydrologic variables, including evapotranspiration and snow covered area, produced simulations as reasonable as alternative approaches to ungaged calibration. Improvements from calibrating to statistical time series are limited by maximum performance of an idealized at-site calibration, i.e., if observed streamflows were known for calibration. The degree of performance when calibrated with observed data is correlated with the degree of performance when calibrated with statistically-derived alternatives. Regionally-varying hydrologic processes limit the applicability of deterministic models, statistical models and the combination thereof; coupled calibration may improve identification of these underlying processes. The advantages and disadvantages of statistically-informed calibration of deterministic models are discussed with emphasis on continental application across the conterminous United States.

  5. Calibration of Deterministic Streamflow Models in Ungaged Basins Using Statistically-Derived At-Site Streamflow Simulations

    NASA Astrophysics Data System (ADS)

    Farmer, William; Hay, Lauren; Kiang, Julie

    2017-04-01

    The continental-scale streamflow network provides vital information for quantifying water resources in the U.S., however, large portions of the U.S. remain ungaged and require streamflow to be estimated. Validation of streamflow models in ungaged basins is difficult due to the lack of observed daily streamflow data for model calibration. This difficulty often leads researchers to rely on regional statistical models (regionalizations) that are limited to the time series of the streamflow variable of interest and offer limited additional hydrologic outputs beyond the variable of interest compared to deterministic streamflow models, which are capable of modeling multiple elements of the water budget simultaneously. This work combines statistically-derived streamflows at ungaged locations to calibrate a popular hydrologic model, PRMS (Precipitation-Runoff Modeling System). Combining this statistically-derived, at-site information with observations of other hydrologic variables, including evapotranspiration and snow covered area, produced simulations as reasonable as alternative approaches to ungaged calibration. Improvements from calibrating to statistical time series are limited by maximum performance of an idealized at-site calibration, i.e., if observed streamflows were known for calibration. The degree of performance when calibrated with observed data is correlated with the degree of performance when calibrated with statistically-derived alternatives. Regionally-varying hydrologic processes limit the applicability of deterministic models, statistical models and the combination thereof; coupled calibration may improve identification of these underlying processes. The advantages and disadvantages of statistically-informed calibration of deterministic models are discussed with emphasis on continental application across the conterminous United States.

  6. SNL-NUMO collaborative : development of a deterministic site characterization tool using multi-model ranking and inference.

    SciTech Connect

    Grace, Matthew; Lowry, Thomas Stephen; Arnold, Bill Walter; James, Scott Carlton; Gray, Genetha Anne; Ahlmann, Michael

    2008-08-01

    Uncertainty in site characterization arises from a lack of data and knowledge about a site and includes uncertainty in the boundary conditions, uncertainty in the characteristics, location, and behavior of major features within an investigation area (e.g., major faults as barriers or conduits), uncertainty in the geologic structure, as well as differences in numerical implementation (e.g., 2-D versus 3-D, finite difference versus finite element, grid resolution, deterministic versus stochastic, etc.). Since the true condition at a site can never be known, selection of the best conceptual model is very difficult. In addition, limiting the understanding to a single conceptualization too early in the process, or before data can support that conceptualization, may lead to confidence in a characterization that is unwarranted as well as to data collection efforts and field investigations that are misdirected and/or redundant. Using a series of numerical modeling experiments, this project examined the application and use of information criteria within the site characterization process. The numerical experiments are based on models of varying complexity that were developed to represent one of two synthetically developed groundwater sites; (1) a fully hypothetical site that represented a complex, multi-layer, multi-faulted site, and (2) a site that was based on the Horonobe site in northern Japan. Each of the synthetic sites were modeled in detail to provide increasingly informative 'field' data over successive iterations to the representing numerical models. The representing numerical models were calibrated to the synthetic site data and then ranked and compared using several different information criteria approaches. Results show, that for the early phases of site characterization, low-parameterized models ranked highest while more complex models generally ranked lowest. In addition, predictive capabilities were also better with the low-parameterized models. For the

  7. Unbiased isotope equilibrium factors from partial isotope exchange experiments in 3-exchange site systems

    NASA Astrophysics Data System (ADS)

    Agrinier, Pierre; Javoy, Marc

    2016-09-01

    Two methods are available in order to evaluate the equilibrium isotope fractionation factors between exchange sites or phases from partial isotope exchange experiments. The first one developed by Northrop and Clayton (1966) is designed for isotope exchanges between two exchange sites (hereafter, the N&C method), the second one from Zheng et al. (1994) is a refinement of the first one to account for a third isotope exchanging site (hereafter, the Z method). In this paper, we use a simple model of isotope kinetic exchange for a 3-exchange site system (such as hydroxysilicates where oxygen occurs as OH and non-OH groups like in muscovite, chlorite, serpentine, or water or calcite) to explore the behavior of the N&C and Z methods. We show that these two methods lead to significant biases that cannot be detected with the usual graphical tests proposed by the authors. Our model shows that biases originate because isotopes are fractionated between all these exchanging sites. Actually, we point out that the variable mobility (or exchangeability) of isotopes in and between the exchange sites only controls the amplitude of the bias, but is not essential to the production of this bias as previously suggested. Setting a priori two of the three exchange sites at isotopic equilibrium remove the bias and thus is required for future partial exchange experiments to produce accurate and unbiased extrapolated equilibrium fractionation factors. Our modeling applied to published partial oxygen isotope exchange experiments for 3-exchange site systems (the muscovite-calcite (Chacko et al., 1996), the chlorite-water (Cole and Ripley, 1998) and the serpentine-water (Saccocia et al., 2009)) shows that the extrapolated equilibrium fractionation factors (reported as 1000 ln(α)) using either the N&C or the Z methods lead to bias that may reach several δ per mil in a few cases. These problematic cases, may be because experiments were conducted at low temperature and did not reach high

  8. Coupling Legacy and Contemporary Deterministic Codes to Goldsim for Probabilistic Assessments of Potential Low-Level Waste Repository Sites

    NASA Astrophysics Data System (ADS)

    Mattie, P. D.; Knowlton, R. G.; Arnold, B. W.; Tien, N.; Kuo, M.

    2006-12-01

    Sandia National Laboratories (Sandia), a U.S. Department of Energy National Laboratory, has over 30 years experience in radioactive waste disposal and is providing assistance internationally in a number of areas relevant to the safety assessment of radioactive waste disposal systems. International technology transfer efforts are often hampered by small budgets, time schedule constraints, and a lack of experienced personnel in countries with small radioactive waste disposal programs. In an effort to surmount these difficulties, Sandia has developed a system that utilizes a combination of commercially available codes and existing legacy codes for probabilistic safety assessment modeling that facilitates the technology transfer and maximizes limited available funding. Numerous codes developed and endorsed by the United States Nuclear Regulatory Commission and codes developed and maintained by United States Department of Energy are generally available to foreign countries after addressing import/export control and copyright requirements. From a programmatic view, it is easier to utilize existing codes than to develop new codes. From an economic perspective, it is not possible for most countries with small radioactive waste disposal programs to maintain complex software, which meets the rigors of both domestic regulatory requirements and international peer review. Therefore, re-vitalization of deterministic legacy codes, as well as an adaptation of contemporary deterministic codes, provides a creditable and solid computational platform for constructing probabilistic safety assessment models. External model linkage capabilities in Goldsim and the techniques applied to facilitate this process will be presented using example applications, including Breach, Leach, and Transport-Multiple Species (BLT-MS), a U.S. NRC sponsored code simulating release and transport of contaminants from a subsurface low-level waste disposal facility used in a cooperative technology transfer

  9. 78 FR 76187 - 30-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-16

    ... Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration ACTION: Notice... . SUPPLEMENTARY INFORMATION: Title of Information Collection: Exchange Programs Alumni Web site Registration. OMB... available for public review. Abstract of proposed collection: The International Exchange Alumni Web site...

  10. Deterministic Tripartite Controlled Remote State Preparation

    NASA Astrophysics Data System (ADS)

    Sang, Ming-huang; Nie, Yi-you

    2017-07-01

    We demonstrate that a seven-qubit entangled state can be used to realize the deterministic tripartite controlled remote state preparation by performing only Pauli operations and single-qubit measurements. In our scheme, three distant senders can simultaneously and deterministically exchange their quantum state with the other senders under the control of the supervisor.

  11. Ground motions associated with the design basis earthquake at the Savannah River Site, South Carolina, based on a deterministic approach

    SciTech Connect

    Youngs, R.R.; Coppersmith, K.J. ); Stephenson, D.E. ); Silva, W. )

    1991-01-01

    Ground motion assessments are presented for evaluation of the seismic safety of K-Reactor at the Savannah River Site. Two earthquake sources are identified as the most significant to seismic hazard at the site, a M 7.5 earthquake occurring in Charleston, South Carolina, and a M 5 event occurring in the site vicinity. These events control the low frequency and high frequency portions of the spectrum, respectively. Three major issues were identified in the assessment of ground motions for the Savannah River site; specification of the appropriate stress drop for the Charleston source earthquake, specification of the appropriate levels of soil damping at large depths for site response analyses, and the appropriateness of western US recordings for specification of ground motions in the eastern US.

  12. Ground motions associated with the design basis earthquake at the Savannah River Site, South Carolina, based on a deterministic approach

    SciTech Connect

    Youngs, R.R.; Coppersmith, K.J.; Stephenson, D.E.; Silva, W.

    1991-12-31

    Ground motion assessments are presented for evaluation of the seismic safety of K-Reactor at the Savannah River Site. Two earthquake sources are identified as the most significant to seismic hazard at the site, a M 7.5 earthquake occurring in Charleston, South Carolina, and a M 5 event occurring in the site vicinity. These events control the low frequency and high frequency portions of the spectrum, respectively. Three major issues were identified in the assessment of ground motions for the Savannah River site; specification of the appropriate stress drop for the Charleston source earthquake, specification of the appropriate levels of soil damping at large depths for site response analyses, and the appropriateness of western US recordings for specification of ground motions in the eastern US.

  13. Thermally Activated Site Exchange and Quantum Exchange Coupling Processes in Unsymmetrical Trihydride Osmium Compounds.

    PubMed

    Castillo, Amaya; Barea, Guada; Esteruelas, Miguel A.; Lahoz, Fernando J.; LLedós, Agustí; Maseras, Feliu; Modrego, Javier; Oñate, Enrique; Oro, Luis A.; Ruiz, Natividad; Sola, Eduardo

    1999-04-19

    Reaction of the hexahydride complex OsH(6)(P(i)Pr(3))(2) (1) with pyridine-2-thiol leads to the trihydride derivative OsH(3){kappa-N,kappa-S-(2-Spy)}(P(i)Pr(3))(2) (2). The structure of 2 has been determined by X-ray diffraction. The geometry around the osmium atom can be described as a distorted pentagonal bipyramid with the phosphine ligands occupying axial positions. The equatorial plane contains the pyridine-2-thiolato group, attached through a bite angle of 65.7(1) degrees, and the three hydride ligands. The theoretical structure determination of the model complex OsH(3){kappa-N,kappa-S-(2-Spy)}(PH(3))(2) (2a) reveals that the hydride ligands form a triangle with sides of 1.623, 1.714, and 2.873 Å, respectively. A topological analysis of the electron density of 2a indicates that there is no significant electron density connecting the hydrogen atoms of the OsH(3) unit. In solution, the hydride ligands of 2 undergo two different thermally activated site exchange processes, which involve the central hydride with each hydride ligand situated close to the donor atoms of the chelate group. The activation barriers of both processes are similar. Theoretical calculations suggest that the transition states have a cis-hydride-dihydrogen nature. In addition to the thermally activated exchange processes, complex 2 shows quantum exchange coupling between the central hydride and the one situated close to the sulfur atom of the pyridine-2-thiolato group. The reactions of 1 with L-valine and 2-hydroxypyridine afford OsH(3){kappa-N,kappa-O-OC(O)CH[CH(CH(3))(2)]NH(2)}(P(i)Pr(3))(2) (3) and OsH(3){kappa-N,kappa-O-(2-Opy)}(P(i)Pr(3))(2) (4) respectively, which according to their spectroscopic data have a similar structure to that of 2. In solution, the hydride ligands of 3 and 4 also undergo two different thermally activated site exchange processes. However, they do not show quantum exchange coupling. The tetranuclear complexes [(P(i)Pr(3))(2)H(3)Os(&mgr;-biim)M(TFB)](2) [M = Rh

  14. Implementation of Deterministically-Derived Hydrostatigraphic Units into a 3D Finite Element Model at the Lawrence Livermore Laboratory Superfund Site

    SciTech Connect

    Mansoor, K; Maley, M; Demir, Z; Hoffman, F

    2001-08-08

    Lawrence Livermore National Laboratory (LLNL) is a large Superfund site in California that is implementing an extensive ground water remediation program. The site is underlain by a thick sequence of heterogeneous alluvial sediments. Defining ground-water flow pathways in this complex geologic setting is difficult. To better evaluate these pathways, a deterministic approach was applied to define hydrostratigraphic units (HSUS) on the basis of identifiable hydraulic behavior and contaminant migration trends. The conceptual model based on this approach indicates that groundwater flow and contaminant transport occurs within packages of sediments bounded by thin, low-permeability confining layers. To aid in the development of the remediation program, a three-dimensional finite-element model was developed for two of the HSUS at LLNL. The primary objectives of this model are to test the conceptual model with a numerical model, and provide well field management support for the large ground-water remediation system. The model was successfully calibrated to 12 years of ground water flow and contaminant transport data. These results confirm that the thin, low-permeability confining layers within the heterogeneous alluvial sediments are the dominant hydraulic control to flow and transport. This calibrated model is currently being applied to better manage the large site-wide ground water extraction system by optimizing the location of new extraction wells, managing pumping rates for extraction wells, and providing performance estimates for long-term planning and budgeting.

  15. 75 FR 25025 - 60-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-06

    ... Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration, DS-7006 ACTION... Collection: Exchange Programs Alumni Web site Registration. OMB Control Number: None. Type of Request... collection: The State Alumni Web site requires information to process users' voluntary request for...

  16. 75 FR 66413 - 30-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-28

    ... Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration, DS-7006 ACTION... burden on those who are to respond. Abstract of Proposed Collection The Exchange Programs Alumni Web site requires information to process users' voluntary requests for participation in the Web site. Other than...

  17. Review of the deterministic modelling of deformation zones and fracture domains at the site proposed for a spent nuclear fuel repository, Sweden, and consequences of structural anisotropy

    NASA Astrophysics Data System (ADS)

    Stephens, Michael B.; Follin, Sven; Petersson, Jesper; Isaksson, Hans; Juhlin, Christopher; Simeonov, Assen

    2015-06-01

    This paper presents a review of the data sets and methodologies used to construct deterministic models for the spatial distribution of deformation zones and intervening fracture domains in 3-D space at Forsmark, Fennoscandian Shield, Sweden. These models formed part of the investigations to characterize this site, recently proposed as a repository for the storage of spent nuclear fuel in Sweden. The pronounced spatial variability in the distribution of bedrock structures, formed under ductile (lower amphibolite- or greenschist-facies) and subsequently brittle conditions, was controlled by two factors; firstly, the multiphase reactivation, around and after 1.8 Ga, of older ductile structures with a strong anisotropy formed under higher-temperature conditions at 1.87-1.86 Ga; and, secondly, by the release of rock stresses in connection with loading and unloading cycles, after 1.6 Ga. The spatial variability in bedrock structures is accompanied by a significant heterogeneity in the hydraulic flow properties, the most transmissive fractures being sub-horizontal or gently dipping. Although the bedrock structures at Forsmark are ancient features, the present-day aperture of fractures and their hydraulic tranmissivity are inferred to be influenced by the current stress state. It is apparent that the aperture of fractures can change throughout geological time as the stress field evolves. For this reason, the assessment of the long-term (up to 100,000 years) safety of a site for the storage of spent nuclear fuel in crystalline bedrock requires an evaluation of all fractures at the site, not only the currently open fractures that are connected and conductive to groundwater flow. This study also highlights the need for an integration of structural data from the ground surface and boreholes with magnetic field and seismic reflection data with high spatial resolution, during the characterization of structures at a possible site for the storage of spent nuclear fuel in

  18. Effects of deterministic aperiodic and self-similar on-site potentials on the structure of the Hofstadter butterfly

    NASA Astrophysics Data System (ADS)

    Lindquist, Bruno; Riklund, Rolf

    1999-10-01

    With the fundamental work of Hofstadter on the combined effects of band structure and magnetic field on the electronic states in two dimensions (2D) as a starting point, we numerically study the effects on the Hofstadter butterfly of including a binary distribution of on-site potentials on a 2D lattice in the tight-binding picture. The effects of the external magnetic field are included through the so-called Peierls substitution. The problem is reduced to a one-dimensional set of difference equations when the binary distribution is constrained to be in one direction only. Besides a periodic structure, a number of aperiodically ordered distributions like the Fibonacci, Thue-Morse, and the Rudin-Shapiro sequences are considered, and the band structures presented and discussed. Also, 2D chessboard and Sierpinski carpet distributions are dealt with in some detail.

  19. What have we learned from deterministic geostatistics at highly resolved field sites, as relevant to mass transport processes in sedimentary aquifers?

    NASA Astrophysics Data System (ADS)

    Ritzi, Robert W.; Soltanian, Mohamad Reza

    2015-12-01

    In the method of deterministic geostatistics (sensu Isaaks and Srivastava, 1988), highly-resolved data sets are used to compute sample spatial-bivariate statistics within a deterministic framework. The general goal is to observe what real, highly resolved, sample spatial-bivariate correlation looks like when it is well-quantified in naturally-occurring sedimentary aquifers. Furthermore, it is to understand how this correlation structure, (i.e. shape and correlation range) is related to independent and physically quantifiable attributes of the sedimentary architecture. The approach has evolved among work by Rubin (1995, 2003), Barrash and Clemo (2002), Ritzi et al. (2004, 2007, 2013), Dai et al. (2005), and Ramanathan et al. (2010). In this evolution, equations for sample statistics have been developed which allow tracking the facies types at the heads and tails of lag vectors. The goal is to observe and thereby understand how aspects of the sedimentary architecture affect the well-supported sample statistics. The approach has been used to study heterogeneity at a number of sites, representing a variety of depositional environments, with highly resolved data sets. What have we learned? We offer and support an opinion that the single most important insight derived from these studies is that the structure of spatial-bivariate correlation is essentially the cross-transition probability structure, determined by the sedimentary architecture. More than one scale of hierarchical sedimentary architecture has been represented in these studies, and a hierarchy of cross-transition probability structures was found to define the correlation structure in all cases. This insight allows decomposing contributions from different scales of the sedimentary architecture, and has led to a more fundamental understanding of mass transport processes including mechanical dispersion of solutes within aquifers, and the time-dependent retardation of reactive solutes. These processes can now be

  20. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 31 Money and Finance:Treasury 2 2013-07-01 2013-07-01 false Payment or redemption-exchange by a TRS Site. 330.8 Section 330.8 Money and Finance: Treasury Regulations Relating to Money and Finance... SHARES) § 330.8 Payment or redemption-exchange by a TRS Site. Specially endorsed securities that an agent...

  1. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 31 Money and Finance:Treasury 2 2012-07-01 2012-07-01 false Payment or redemption-exchange by a TRS Site. 330.8 Section 330.8 Money and Finance: Treasury Regulations Relating to Money and Finance... SHARES) § 330.8 Payment or redemption-exchange by a TRS Site. Specially endorsed securities that an agent...

  2. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance: Treasury 2 2014-07-01 2014-07-01 false Payment or redemption-exchange by a TRS Site. 330.8 Section 330.8 Money and Finance: Treasury Regulations Relating to Money and Finance... SHARES) § 330.8 Payment or redemption-exchange by a TRS Site. Specially endorsed securities that an agent...

  3. 78 FR 40820 - 60-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-08

    ... Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration ACTION: Notice.... ADDRESSES: You may submit comments by any of the following methods: Web: Persons with access to the Internet... of Information Collection: Exchange Programs Alumni Web site Registration OMB Control Number: 1405...

  4. Cyanobacterial heterocysts: terminal pores proposed as sites of gas exchange.

    PubMed

    Walsby, Anthony E

    2007-08-01

    In many filamentous cyanobacteria, oxygenic photosynthesis is restricted to vegetative cells, whereas N(2) fixation is confined to microoxic heterocysts. The heterocyst has an envelope that provides a barrier to gas exchange: N(2) and O(2) diffuse into heterocysts at similar rates, which ensures that concentrations of N(2) are high enough to saturate N(2) fixation while respiration maintains O(2) at concentrations low enough to prevent nitrogenase inactivation. I propose that the main gas-diffusion pathway is through the terminal pores that connect heterocysts with vegetative cells. Transmembrane proteins would make the narrow pores permeable enough and they might provide a means of regulating the rate of gas exchange, increasing it by day, when N(2) fixation is most active, and decreasing it at night, minimizing O(2) entry. Comparisons are made with stomata, which regulate gas exchange in plants.

  5. Deterministic Walks with Choice

    SciTech Connect

    Beeler, Katy E.; Berenhaut, Kenneth S.; Cooper, Joshua N.; Hunter, Meagan N.; Barr, Peter S.

    2014-01-10

    This paper studies deterministic movement over toroidal grids, integrating local information, bounded memory and choice at individual nodes. The research is motivated by recent work on deterministic random walks, and applications in multi-agent systems. Several results regarding passing tokens through toroidal grids are discussed, as well as some open questions.

  6. Processes Impacting Atmosphere-Surface Exchanges at Arctic Terrestrial Sites

    NASA Astrophysics Data System (ADS)

    Persson, Ola; Grachev, Andrey; Konopleva, Elena; Cox, Chris; Stone, Robert; Crepinsek, Sara; Shupe, Matthew; Uttal, Taneil

    2015-04-01

    Surface energy fluxes are key to the annual cycle of near-surface and soil temperature and biologic activity in the Arctic. While these energy fluxes are undoubtedly changing to produce the changes observed in the Arctic ecosystem over the last few decades, measurements have generally not been available to quantify what processes are regulating these fluxes and what is determining the characteristics of these annual cycles. The U.S. National Oceanic and Atmospheric Administration has established, or contributed to the establishment of, several terrestrial "supersites" around the perimeter of the Arctic Ocean at which detailed measurements of atmospheric structure, surface fluxes, and soil thermal properties are being made. These sites include Barrow, Alaska; Eureka and Alert, Canada; and Tiksi, Russia. Atmospheric structure measurements vary, but include radiosoundings at all sites and remote sensing of clouds at two sites. Additionally, fluxes of sensible heat and momentum are made at all of the sites, while fluxes of moisture and CO2 are made at two of the sites. Soil temperatures are also measured in the upper 120 cm at all sites, which is deep enough to define the soil active layer. The sites have been operating between 3 years (Tiksi) and 24 years (Barrow). While all sites are located north of 71° N, the summer vegetation range from lush tundra grasses to rocky soils with little vegetation. This presentation will illustrate some of the atmospheric processes that are key for determining the annual energy and temperature cycles at these sites, and some of the key characteristics that lead to differences in, for instance, the length of the summer soil active layer between the sites. Atmospheric features and processes such as cloud characteristics, snowfall, downslope wind events, and sea-breezes have impacts on the annual energy cycle. The presence of a "zero curtain" period, when autumn surface temperature remains approximately constant at the freezing point

  7. Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger

    DOE PAGES

    Liao, Jun; Marinelli, Fabrizio; Lee, Changkeun; ...

    2016-05-16

    Na+/Ca2+ exchangers utilize the Na+ electrochemical gradient across the plasma membrane to extrude intracellular Ca2+, and play a central role in Ca2+ homeostasis. Here, we elucidate their mechanisms of extracellular ion recognition and exchange through a structural analysis of the exchanger from Methanococcus jannaschii (NCX_Mj) bound to Na+, Ca2+ or Sr2+ in various occupancies and in an apo state. This analysis defines the binding mode and relative affinity of these ions, establishes the structural basis for the anticipated 3:1Na+/Ca2+ exchange stoichiometry, and reveals the conformational changes at the onset of the alternating-access transport mechanism. An independent analysis of the dynamicsmore » and conformational free-energy landscape of NCX_Mj in different ion-occupancy states, based on enhanced-sampling molecular-dynamics simulations, demonstrates that the crystal structures reflect mechanistically relevant, interconverting conformations. Lastly, these calculations also reveal the mechanism by which the outward-to-inward transition is controlled by the ion-occupancy state, thereby explaining the emergence of strictly-coupled Na+/Ca2+ antiport.« less

  8. Mechanism of extracellular ion exchange and binding-site occlusion in the sodium-calcium exchanger

    PubMed Central

    Lee, ChangKeun; Huang, Yihe; Faraldo-Gómez, José D.; Jiang, Youxing

    2016-01-01

    Na+/Ca2+ exchangers utilize the Na+ electrochemical gradient across the plasma membrane to extrude intracellular Ca2+, and play a central role in Ca2+ homeostasis. Here, we elucidate their mechanisms of extracellular ion recognition and exchange through a structural analysis of the exchanger from Methanococcus jannaschii (NCX_Mj) bound to Na+, Ca2+ or Sr2+ in various occupancies and in an apo state. This analysis defines the binding mode and relative affinity of these ions, establishes the structural basis for the anticipated 3Na+:1Ca2+ exchange stoichiometry, and reveals the conformational changes at the onset of the alternating-access transport mechanism. An independent analysis of the dynamics and conformational free-energy landscape of NCX_Mj in different ion-occupancy states, based on enhanced-sampling molecular-dynamics simulations, demonstrates that the crystal structures reflect mechanistically relevant, interconverting conformations. These calculations also reveal the mechanism by which the outward-to-inward transition is controlled by the ion-occupancy state, thereby explaining the emergence of strictly-coupled Na+/Ca2+ antiport. PMID:27183196

  9. Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger

    SciTech Connect

    Liao, Jun; Marinelli, Fabrizio; Lee, Changkeun; Huang, Yihe; Faraldo-Gomez, Jose D.; Jiang, Youxing

    2016-05-16

    Na+/Ca2+ exchangers utilize the Na+ electrochemical gradient across the plasma membrane to extrude intracellular Ca2+, and play a central role in Ca2+ homeostasis. Here, we elucidate their mechanisms of extracellular ion recognition and exchange through a structural analysis of the exchanger from Methanococcus jannaschii (NCX_Mj) bound to Na+, Ca2+ or Sr2+ in various occupancies and in an apo state. This analysis defines the binding mode and relative affinity of these ions, establishes the structural basis for the anticipated 3:1Na+/Ca2+ exchange stoichiometry, and reveals the conformational changes at the onset of the alternating-access transport mechanism. An independent analysis of the dynamics and conformational free-energy landscape of NCX_Mj in different ion-occupancy states, based on enhanced-sampling molecular-dynamics simulations, demonstrates that the crystal structures reflect mechanistically relevant, interconverting conformations. Lastly, these calculations also reveal the mechanism by which the outward-to-inward transition is controlled by the ion-occupancy state, thereby explaining the emergence of strictly-coupled Na+/Ca2+ antiport.

  10. Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger

    SciTech Connect

    Liao, Jun; Marinelli, Fabrizio; Lee, Changkeun; Huang, Yihe; Faraldo-Gomez, Jose D.; Jiang, Youxing

    2016-05-16

    Na+/Ca2+ exchangers utilize the Na+ electrochemical gradient across the plasma membrane to extrude intracellular Ca2+, and play a central role in Ca2+ homeostasis. Here, we elucidate their mechanisms of extracellular ion recognition and exchange through a structural analysis of the exchanger from Methanococcus jannaschii (NCX_Mj) bound to Na+, Ca2+ or Sr2+ in various occupancies and in an apo state. This analysis defines the binding mode and relative affinity of these ions, establishes the structural basis for the anticipated 3:1Na+/Ca2+ exchange stoichiometry, and reveals the conformational changes at the onset of the alternating-access transport mechanism. An independent analysis of the dynamics and conformational free-energy landscape of NCX_Mj in different ion-occupancy states, based on enhanced-sampling molecular-dynamics simulations, demonstrates that the crystal structures reflect mechanistically relevant, interconverting conformations. Lastly, these calculations also reveal the mechanism by which the outward-to-inward transition is controlled by the ion-occupancy state, thereby explaining the emergence of strictly-coupled Na+/Ca2+ antiport.

  11. Adherence to hepatitis B virus vaccination at syringe exchange sites.

    PubMed

    Altice, Frederick L; Bruce, Robert D; Walton, Mary R; Buitrago, Marta I

    2005-03-01

    Injection drug users (IDUs) are at high risk for hepatitis B virus (HBV); however, they often do not receive preventive vaccination. IDUs who use mobile health care services linked to a syringe exchange program in New Haven were routinely screened for HBV, hepatitis C virus, and syphilis. Individuals without prior exposure to HBV were offered three-part vaccination series. Of the 212 IDUs screened for HBV infection, 134 (63%) were eligible (negative for HBV surface and core anti-bodies) for vaccination and 10 (4.7%) had evidence of chronic HBV infection. Compared to those with previous exposure to HBV, vaccine-eligible patients were significantly more likely to be younger and use heroin and less likely to be black, home-less, daily injectors, and cocaine users. Of the 134 vaccine-eligible subjects, 103 (77%) and 89 (66%) completed two and three vaccinations, respectively. Correlates of completing all three vaccinations included older age (OR = 1.06, 95% CI = 1.04-1.07), injecting daily (OR = 2.12, 95% CI = 1.36-6.73), and being homeless (OR = 1.98, 95% CI = 1.14-12.27). These results suggest that IDUs remain at high risk for acquiring HBV infection. Programs that link health care to a syringe exchange program are effective ways to provide preventive health care services to IDUs, particularly HBV vaccination. Trust engendered by and mutual respect afforded by such programs result in repeated encounters by active IDUs over time.

  12. Site-specific immobilization of proteins at zeolite L crystals by nitroxide exchange reactions.

    PubMed

    Becker, Maike; De Cola, Luisa; Studer, Armido

    2011-03-28

    Site-selective immobilization of dyes and different protein recognizing entities at the surface of zeolite L crystals using mild radical nitroxide exchange reactions is reported. Exposure of these crystals to aqueous protein solutions leads to site-selective immobilization of proteins onto the crystals.

  13. Salt Processing Through Ion Exchange at the Savannah River Site Selection of Exchange Media and Column Configuration - 9198

    SciTech Connect

    Spires, Renee; Punch, Timothy; McCabe, Daniel

    2009-02-11

    The Department of Energy (DOE) has developed, modeled, and tested several different ion exchange media and column designs for cesium removal. One elutable resin and one non-elutable resin were considered for this salt processing application. Deployment of non-elutable Crystalline Silicotitanate and elutable Resorcinol Formaldehyde in several different column configurations were assessed in a formal Systems Engineering Evaluation (SEE). Salt solutions were selected that would allow a grouping of non-compliant tanks to be closed. Tests were run with the elutable resin to determine compatibility with the resin configuration required for an in-tank ion exchange system. Models were run to estimate the ion exchange cycles required with the two resins in several column configurations. Material balance calculations were performed to estimate the impact on the High Level Waste (HLW) system at the Savannah River Site (SRS). Conceptual process diagrams were used to support the hazard analysis. Data from the hazard analysis was used to determine the relative impact on safety. This report will discuss the technical inputs, SEE methods, results and path forward to complete the technical maturation of ion exchange.

  14. Hydrogen bond migration between molecular sites observed with ultrafast 2D IR chemical exchange spectroscopy.

    PubMed

    Rosenfeld, Daniel E; Kwak, Kyungwon; Gengeliczki, Zsolt; Fayer, M D

    2010-02-25

    Hydrogen-bonded complexes between phenol and phenylacetylene are studied using ultrafast two-dimensional infrared (2D IR) chemical exchange spectroscopy. Phenylacetylene has two possible pi hydrogen bonding acceptor sites (phenyl or acetylene) that compete for hydrogen bond donors in solution at room temperature. The OD stretch frequency of deuterated phenol is sensitive to which acceptor site it is bound. The appearance of off-diagonal peaks between the two vibrational frequencies in the 2D IR spectrum reports on the exchange process between the two competitive hydrogen-bonding sites of phenol-phenylacetylene complexes in the neat phenylacetylene solvent. The chemical exchange process occurs in approximately 5 ps and is assigned to direct hydrogen bond migration along the phenylacetylene molecule. Other nonmigration mechanisms are ruled out by performing 2D IR experiments on phenol dissolved in the phenylacetylene/carbon tetrachloride mixed solvent. The observation of direct hydrogen bond migration can have implications for macromolecular systems.

  15. Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site

    PubMed Central

    Stachura, Monika; Chakraborty, Saumen; Gottberg, Alexander; Ruckthong, Leela; Pecoraro, Vincent L.; Hemmingsen, Lars

    2017-01-01

    Nanosecond ligand exchange dynamics at metal sites within proteins is essential in catalysis, metal ion transport, and regulatory metallobiochemistry. Herein we present direct observation of the exchange dynamics of water at a Cd2+ binding site within two de novo designed metalloprotein constructs using 111mCd perturbed angular correlation (PAC) of γ-rays and 113Cd NMR spectroscopy. The residence time of the Cd2+-bound water molecule is tens of nanoseconds at 20 °C in both proteins. This constitutes the first direct experimental observation of the residence time of Cd2+ coordinated water in any system, including the simple aqua ion. A Leu to Ala amino acid substitution ~10 Å from the Cd2+ site affects both the equilibrium constant and the residence time of water, while, surprisingly, the metal site structure, as probed by PAC spectroscopy, remains essentially unaltered. This implies that remote mutations may affect metal site dynamics, even when structure is conserved. PMID:27973778

  16. Improving Evolutionary Models for Mitochondrial Protein Data with Site-Class Specific Amino Acid Exchangeability Matrices

    PubMed Central

    Dunn, Katherine A.; Jiang, Wenyi; Field, Christopher; Bielawski, Joseph P.

    2013-01-01

    Adequate modeling of mitochondrial sequence evolution is an essential component of mitochondrial phylogenomics (comparative mitogenomics). There is wide recognition within the field that lineage-specific aspects of mitochondrial evolution should be accommodated through lineage-specific amino-acid exchangeability matrices (e.g., mtMam for mammalian data). However, such a matrix must be applied to all sites and this implies that all sites are subject to the same, or largely similar, evolutionary constraints. This assumption is unjustified. Indeed, substantial differences are expected to arise from three-dimensional structures that impose different physiochemical environments on individual amino acid residues. The objectives of this paper are (1) to investigate the extent to which amino acid evolution varies among sites of mitochondrial proteins, and (2) to assess the potential benefits of explicitly modeling such variability. To achieve this, we developed a novel method for partitioning sites based on amino acid physiochemical properties. We apply this method to two datasets derived from complete mitochondrial genomes of mammals and fish, and use maximum likelihood to estimate amino acid exchangeabilities for the different groups of sites. Using this approach we identified large groups of sites evolving under unique physiochemical constraints. Estimates of amino acid exchangeabilities differed significantly among such groups. Moreover, we found that joint estimates of amino acid exchangeabilities do not adequately represent the natural variability in evolutionary processes among sites of mitochondrial proteins. Significant improvements in likelihood are obtained when the new matrices are employed. We also find that maximum likelihood estimates of branch lengths can be strongly impacted. We provide sets of matrices suitable for groups of sites subject to similar physiochemical constraints, and discuss how they might be used to analyze real data. We also discuss how

  17. "Actually, I Wanted to Learn": Study-Related Knowledge Exchange on Social Networking Sites

    ERIC Educational Resources Information Center

    Wodzicki, Katrin; Schwammlein, Eva; Moskaliuk, Johannes

    2012-01-01

    Social media open up multiple options to add a new dimension to learning and knowledge processes. Particularly, social networking sites allow students to connect formal and informal learning settings. Students can find like-minded people and organize informal knowledge exchange for educational purposes. However, little is known about in which way…

  18. "Actually, I Wanted to Learn": Study-Related Knowledge Exchange on Social Networking Sites

    ERIC Educational Resources Information Center

    Wodzicki, Katrin; Schwammlein, Eva; Moskaliuk, Johannes

    2012-01-01

    Social media open up multiple options to add a new dimension to learning and knowledge processes. Particularly, social networking sites allow students to connect formal and informal learning settings. Students can find like-minded people and organize informal knowledge exchange for educational purposes. However, little is known about in which way…

  19. The Structure and Density of Mo and Acid Sites in Mo-ExchangedH-ZSMZ Catalysts

    SciTech Connect

    Borry III, Richard W.; Kim, Young Ho; Huffsmith, Anne; Reimer,Jeffrey A.; Iglesia, Enrique

    1999-03-01

    Mo/H-ZSM5 (1.0-6.3 wt percent Mo; Mo/Al = 0.11-0.68) catalysts for CH4 aromatization were prepared from physical mixtures of MoO3 and H-ZSM5 (Si/Al= 14.3). X-ray diffraction and elemental analysis of physical mixtures treated in air indicate that MoOx species migrate onto the external ZSM5 surface at about 623 K. Between 773 and 973 K, MoOx species migrate inside zeolite channels via surface and gas phase transport, exchange at acid sites, and react to form H2O. The amount of H2O evolved during exchange and the amount of residual OH groups detected by isotopic equilibration with D2 showed that each Mo atom replaces one H+ during exchange. This stoichiometry and the requirement for charge compensation suggest that exchanged species consist of (Mo2O5)2+ditetrahedral structures interacting with two cation exchange sites. The proposed mechanism may provide a general framework to describe the exchange of multivalent cations onto Al sites in zeolites. As the Mo concentration exceeds that required to form a MoOx monolayer on the external zeolite surface ({approx}4 wt percent Mo for the H-ZSM5 used), Mo species sublime as (MoO3)n oligomers or extract Al from the zeolite framework to form inactive Al2(MoO4)3 domains detectable by 27Al NMR. These (Mo2O5)2+ species reduce to form the active MoCx species during the initial stages of CH4 conversion reactions. Optimum CH4 aromatization rates were obtained on catalysts with intermediate Mo contents ({approx}0.4Mo/Al), because both MoCx and acid sites are required to activate CH4 and to convert the initial C2H4 products into C6+ aromatics favored by thermodynamics.

  20. Greenhouse gas exchange of rewetted bog peat extraction sites and a Sphagnum cultivation site in northwest Germany

    NASA Astrophysics Data System (ADS)

    Beyer, C.; Höper, H.

    2015-04-01

    During the last decades an increasing area of drained peatlands has been rewetted. Especially in Germany, rewetting is the principal treatment on cutover sites when peat extraction is finished. The objectives are bog restoration and the reduction of greenhouse gas (GHG) emissions. The first sites were rewetted in the 1980s. Thus, there is a good opportunity to study long-term effects of rewetting on greenhouse gas exchange, which has not been done so far on temperate cutover peatlands. Moreover, Sphagnum cultivating may become a new way to use cutover peatlands and agriculturally used peatlands as it permits the economical use of bogs under wet conditions. The climate impact of such measures has not been studied yet. We conducted a field study on the exchange of carbon dioxide, methane and nitrous oxide at three rewetted sites with a gradient from dry to wet conditions and at a Sphagnum cultivation site in NW Germany over the course of more than 2 years. Gas fluxes were measured using transparent and opaque closed chambers. The ecosystem respiration (CO2) and the net ecosystem exchange (CO2) were modelled at a high temporal resolution. Measured and modelled values fit very well together. Annually cumulated gas flux rates, net ecosystem carbon balances (NECB) and global warming potential (GWP) balances were determined. The annual net ecosystem exchange (CO2) varied strongly at the rewetted sites (from -201.7 ± 126.8 to 29.7± 112.7g CO2-C m-2 a-1) due to differing weather conditions, water levels and vegetation. The Sphagnum cultivation site was a sink of CO2 (-118.8 ± 48.1 and -78.6 ± 39.8 g CO2-C m-2 a-1). The annual CH4 balances ranged between 16.2 ± 2.2 and 24.2 ± 5.0g CH4-C m-2 a-1 at two inundated sites, while one rewetted site with a comparatively low water level and the Sphagnum farming site show CH4 fluxes close to 0. The net N2O fluxes were low and not significantly different between the four sites. The annual NECB was between -185.5 ± 126.9 and 49

  1. Deterministic geologic processes and stochastic modeling

    SciTech Connect

    Rautman, C.A.; Flint, A.L.

    1991-12-31

    Recent outcrop sampling at Yucca Mountain, Nevada, has produced significant new information regarding the distribution of physical properties at the site of a potential high-level nuclear waste repository. Consideration of the spatial distribution of measured values and geostatistical measures of spatial variability indicates that there are a number of widespread deterministic geologic features at the site that have important implications for numerical modeling of such performance aspects as ground water flow and radionuclide transport. These deterministic features have their origin in the complex, yet logical, interplay of a number of deterministic geologic processes, including magmatic evolution; volcanic eruption, transport, and emplacement; post-emplacement cooling and alteration; and late-stage (diagenetic) alteration. Because of geologic processes responsible for formation of Yucca Mountain are relatively well understood and operate on a more-or-less regional scale, understanding of these processes can be used in modeling the physical properties and performance of the site. Information reflecting these deterministic geologic processes may be incorporated into the modeling program explicitly, using geostatistical concepts such as soft information, or implicitly, through the adoption of a particular approach to modeling. It is unlikely that any single representation of physical properties at the site will be suitable for all modeling purposes. Instead, the same underlying physical reality will need to be described many times, each in a manner conducive to assessing specific performance issues.

  2. Avian Cephalic Vascular Anatomy, Sites of Thermal Exchange, and the Rete Ophthalmicum.

    PubMed

    Porter, Wm Ruger; Witmer, Lawrence M

    2016-11-01

    The general anatomy of avian cephalic blood vessels is well known and there are published details of their role in physiological thermoregulation. Unfortunately, the finer details of vascular pathways to and from sites of thermal exchange are not well known. Additionally, the role of the rete ophthalmicum (RO), a vascular heat exchanger in the temporal region, has been investigated in terms of brain temperature regulation, yet only the arteries have received substantial attention. Without anatomical details of both the arterial and venous pathways, the role of blood vessels in physiological thermoregulation is incomplete. Cephalic vascular anatomy of multiple avian taxa was investigated using a differential-contrast, dual-vascular injection technique and high-resolution X-ray microcomputed tomography. Sites of thermal exchange (oral, nasal, and orbital regions) and the RO were given special attention due to their known roles in cephalic thermoregulation. Blood vessels to and from sites of thermal exchange were investigated to detect conserved vascular patterns and their ability to deliver cooled blood to the RO and dural venous sinus. Sites of thermal exchange were supplied by arteries directly and through collateral pathways. Veins were found to offer multiple pathways that could influence the temperature of neurosensory tissues, as well as pathways that would bypass neurosensory tissues. These results question the paradigm that arterial blood from the RO is the primary method of brain cooling in birds. A shift in the primary role of the RO from brain cooling to regulating and maintaining the temperature of the avian eye should be further investigated. Anat Rec, 299:1461-1486, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  3. Deterministic transport in ratchets

    NASA Astrophysics Data System (ADS)

    Sarmiento, Antonio; Larralde, Hernán

    1999-05-01

    We present the deterministic transport properties of driven overdamped particles in a simple piecewise-linear ratchet potential. We consider the effects on the stationary current due to local spatial asymmetry, time asymmetry in the driving force, and we include the possibility of a global spatial asymmetry. We present an extremely simple scheme for evaluating the current that is established on the ratchet within an ``adiabatic'' approximation, and compare the results with exact numerical integration of the process.

  4. Deterministic Entangled Nanosource

    DTIC Science & Technology

    2008-08-01

    currently valid OMB control number . PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. 1. REPORT DATE (DD-MM-YYYY) 01-09-2008 2. REPORT TYPE...Final Report 3. DATES COVERED (From - To) Sep 2005 – Sep 2008 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER FA9550-05-1-0455...Deterministic Entangled Nanosource 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER Khitrova, Galina 5e. TASK

  5. Deterministic Ising dynamics

    SciTech Connect

    Creutz, M.

    1986-03-01

    A deterministic cellular automation rule is presented which simulates the Ising model. On each cell in addition to an Ising spin is a space-time parity bit and a variable playing the role of a momentum conjugate to the spin. The procedure permits study of nonequilibrium phenomena, heat flow, mixing, and time correlations. The algorithm can make full use of multispin coding, thus permitting fast programs involving parallel processing on serial machines.

  6. Membrane Contact Sites: Complex Zones for Membrane Association and Lipid Exchange

    PubMed Central

    Quon, Evan; Beh, Christopher T.

    2015-01-01

    Lipid transport between membranes within cells involves vesicle and protein carriers, but as agents of nonvesicular lipid transfer, the role of membrane contact sites has received increasing attention. As zones for lipid metabolism and exchange, various membrane contact sites mediate direct associations between different organelles. In particular, membrane contact sites linking the plasma membrane (PM) and the endoplasmic reticulum (ER) represent important regulators of lipid and ion transfer. In yeast, cortical ER is stapled to the PM through membrane-tethering proteins, which establish a direct connection between the membranes. In this review, we consider passive and facilitated models for lipid transfer at PM–ER contact sites. Besides the tethering proteins, we examine the roles of an additional repertoire of lipid and protein regulators that prime and propagate PM–ER membrane association. We conclude that instead of being simple mediators of membrane association, regulatory components of membrane contact sites have complex and multilayered functions. PMID:26949334

  7. Application of geometric approximation to the CPMG experiment: Two- and three-site exchange

    NASA Astrophysics Data System (ADS)

    Chao, Fa-An; Byrd, R. Andrew

    2017-04-01

    The Carr-Purcell-Meiboom-Gill (CPMG) experiment is one of the most classical and well-known relaxation dispersion experiments in NMR spectroscopy, and it has been successfully applied to characterize biologically relevant conformational dynamics in many cases. Although the data analysis of the CPMG experiment for the 2-site exchange model can be facilitated by analytical solutions, the data analysis in a more complex exchange model generally requires computationally-intensive numerical analysis. Recently, a powerful computational strategy, geometric approximation, has been proposed to provide approximate numerical solutions for the adiabatic relaxation dispersion experiments where analytical solutions are neither available nor feasible. Here, we demonstrate the general potential of geometric approximation by providing a data analysis solution of the CPMG experiment for both the traditional 2-site model and a linear 3-site exchange model. The approximate numerical solution deviates less than 0.5% from the numerical solution on average, and the new approach is computationally 60,000-fold more efficient than the numerical approach. Moreover, we find that accurate dynamic parameters can be determined in most cases, and, for a range of experimental conditions, the relaxation can be assumed to follow mono-exponential decay. The method is general and applicable to any CPMG RD experiment (e.g. N, C‧, Cα, Hα, etc.) The approach forms a foundation of building solution surfaces to analyze the CPMG experiment for different models of 3-site exchange. Thus, the geometric approximation is a general strategy to analyze relaxation dispersion data in any system (biological or chemical) if the appropriate library can be built in a physically meaningful domain.

  8. Application of geometric approximation to the CPMG experiment: Two- and three-site exchange.

    PubMed

    Chao, Fa-An; Byrd, R Andrew

    2017-04-01

    The Carr-Purcell-Meiboom-Gill (CPMG) experiment is one of the most classical and well-known relaxation dispersion experiments in NMR spectroscopy, and it has been successfully applied to characterize biologically relevant conformational dynamics in many cases. Although the data analysis of the CPMG experiment for the 2-site exchange model can be facilitated by analytical solutions, the data analysis in a more complex exchange model generally requires computationally-intensive numerical analysis. Recently, a powerful computational strategy, geometric approximation, has been proposed to provide approximate numerical solutions for the adiabatic relaxation dispersion experiments where analytical solutions are neither available nor feasible. Here, we demonstrate the general potential of geometric approximation by providing a data analysis solution of the CPMG experiment for both the traditional 2-site model and a linear 3-site exchange model. The approximate numerical solution deviates less than 0.5% from the numerical solution on average, and the new approach is computationally 60,000-fold more efficient than the numerical approach. Moreover, we find that accurate dynamic parameters can be determined in most cases, and, for a range of experimental conditions, the relaxation can be assumed to follow mono-exponential decay. The method is general and applicable to any CPMG RD experiment (e.g. N, C', C(α), H(α), etc.) The approach forms a foundation of building solution surfaces to analyze the CPMG experiment for different models of 3-site exchange. Thus, the geometric approximation is a general strategy to analyze relaxation dispersion data in any system (biological or chemical) if the appropriate library can be built in a physically meaningful domain.

  9. Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

    DOE PAGES

    Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; ...

    2016-08-17

    Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidationmore » reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [CuIIOH]+ species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [CuIIOH]+ active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu]2+ and Cu3O3 motifs.« less

  10. Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

    SciTech Connect

    Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; Nørskov, Jens K.; Studt, Felix

    2016-08-17

    Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidation reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [CuIIOH]+ species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [CuIIOH]+ active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu]2+ and Cu3O3 motifs.

  11. Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

    SciTech Connect

    Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; Nørskov, Jens K.; Studt, Felix

    2016-08-17

    Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidation reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [CuIIOH]+ species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [CuIIOH]+ active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu]2+ and Cu3O3 motifs.

  12. A Deterministic Microfluidic Ratchet

    NASA Astrophysics Data System (ADS)

    Loutherback, Kevin; Puchalla, Jason; Austin, Robert; Sturm, James

    2009-03-01

    We present a deterministic microfluidic ratchet where the trajectory of particles in a certain size range is not reversed when the sign of the driving force is reversed. This ratcheting effect is produced by employing triangular rather than the conventionally circular posts in a post array that selectively displaces particles transported through the array. The underlying mechanism of this method is shown to to be an asymmetric fluid velocity distribution through the gap between triangular posts that results in different critical particle sizes depending on the direction of the flow.

  13. Deterministic Entangled Nanosource

    DTIC Science & Technology

    2008-08-01

    control number PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. 1. REPORT DATE (DD-MM-YYYY) 01-09-2008 2. REPORT TYPE Final Report 3...DATES COVERED (From - To) Sep 2005 - Sep 200? 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER FA9550-05-1-0455 5b. GRANT NUMBER Deterministic...Entangled Nanosource 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER Khitrova, Galina 5f. WORK UNIT NUMBER 7. PERFORMING

  14. Semi-deterministic reasoning

    SciTech Connect

    Chengjiang Mao

    1996-12-31

    In typical AI systems, we employ so-called non-deterministic reasoning (NDR), which resorts to some systematic search with backtracking in the search spaces defined by knowledge bases (KBs). An eminent property of NDR is that it facilitates programming, especially programming for those difficult AI problems such as natural language processing for which it is difficult to find algorithms to tell computers what to do at every step. However, poor efficiency of NDR is still an open problem. Our work aims at overcoming this efficiency problem.

  15. Generalized Deterministic Traffic Rules

    NASA Astrophysics Data System (ADS)

    Fuks, Henryk; Boccara, Nino

    We study a family of deterministic models for highway traffic flow which generalize cellular automaton rule 184. This family is parameterized by the speed limit m and another parameter k that represents a "degree of aggressiveness" in driving, strictly related to the distance between two consecutive cars. We compare two driving strategies with identical maximum throughput: "conservative" driving with high speed limit and "aggressive" driving with low speed limit. Those two strategies are evaluated in terms of accident probability. We also discuss fundamental diagrams of generalized traffic rules and examine limitations of maximum achievable throughput. Possible modifications of the model are considered.

  16. EXCHANGE

    SciTech Connect

    Boltz, J.C.

    1992-09-01

    EXCHANGE is published monthly by the Idaho National Engineering Laboratory (INEL), a multidisciplinary facility operated for the US Department of Energy (DOE). The purpose of EXCHANGE is to inform computer users about about recent changes and innovations in both the mainframe and personal computer environments and how these changes can affect work being performed at DOE facilities.

  17. Integrated Cropland and Grassland Flux Tower Observation Sites over Grazinglands for Quantifying Surface-Atmosphere Exchange

    NASA Astrophysics Data System (ADS)

    Mahan, H. R.; Wagle, P.; Bajgain, R.; Zhou, Y.; Basara, J. B.; Xiao, X.; Duckles, J. M.; Steiner, J. L.; Starks, P. J.; Northup, B. K.

    2014-12-01

    Quantifying methane (CH4), carbon dioxide (CO2), and water vapor fluxes between land surface and boundary layer using the eddy covariance method have many applicable uses across several disciplines. Three eddy flux towers have been established over no-till winter wheat (Triticum aestivum L.), and native and improved pastures at the USDA ARS Grazinglands Research Laboratory, El Reno, OK. An additional tower will be established in fall 2014 over till winter wheat. Each flux site is equipped with an eddy covariance system, PhenoCam, COSMOS, and in-situ observations of soil and atmospheric state variables. The objective of this research is to measure, compare, and model the land-atmosphere exchange of CO2, water vapor, and CH4 in different land cover types and management practices (till vs no-till, grazing vs no-grazing, native vs improved pasture). Models that focus on net ecosystem CO2 exchange (NEE), gross primary production (GPP), evapotranspiration (ET), and CH4 fluxes can be improved by the cross verification of these measurements. Another application will be to link the in-situ measurements with satellite remote sensing in order to scale-up flux measurements from small spatial scales to local and regional scales. Preliminary data analysis from the native grassland site revealed that CH4 concentration was negligible (~ 0), and it increased significantly when cattle were introduced into the site. In summer 2014, daily ET magnitude was about 4-5 mm day-1 and the NEE magnitude was 4-5 g C day-1 at the native grassland site. Further analysis of data for all the sites for longer temporal periods will enhance understanding of biotic and abiotic factors that govern carbon, water, and energy exchanges between the land surface and atmosphere under different land cover and management systems. The research findings will help predict the responses of these ecosystems to management practices and global environmental change in the future.

  18. Vascular Patterns in Iguanas and Other Squamates: Blood Vessels and Sites of Thermal Exchange.

    PubMed

    Porter, William Ruger; Witmer, Lawrence M

    2015-01-01

    Squamates use the circulatory system to regulate body and head temperatures during both heating and cooling. The flexibility of this system, which possibly exceeds that of endotherms, offers a number of physiological mechanisms to gain or retain heat (e.g., increase peripheral blood flow and heart rate, cooling the head to prolong basking time for the body) as well as to shed heat (modulate peripheral blood flow, expose sites of thermal exchange). Squamates also have the ability to establish and maintain the same head-to-body temperature differential that birds, crocodilians, and mammals demonstrate, but without a discrete rete or other vascular physiological device. Squamates offer important anatomical and phylogenetic evidence for the inference of the blood vessels of dinosaurs and other extinct archosaurs in that they shed light on the basal diapsid condition. Given this basal positioning, squamates likewise inform and constrain the range of physiological thermoregulatory mechanisms that may have been found in Dinosauria. Unfortunately, the literature on squamate vascular anatomy is limited. Cephalic vascular anatomy of green iguanas (Iguana iguana) was investigated using a differential-contrast, dual-vascular injection (DCDVI) technique and high-resolution X-ray microcomputed tomography (μCT). Blood vessels were digitally segmented to create a surface representation of vascular pathways. Known sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in brain and cephalic thermoregulation. Blood vessels to and from sites of thermal exchange were investigated to detect conserved vascular patterns and to assess their ability to deliver cooled blood to the dural venous sinuses. Arteries within sites of thermal exchange were found to deliver blood directly and through collateral pathways. The venous drainage was found to have multiple pathways that could influence neurosensory tissue temperature

  19. Vascular patterns in the heads of crocodilians: blood vessels and sites of thermal exchange.

    PubMed

    Porter, William Ruger; Sedlmayr, Jayc C; Witmer, Lawrence M

    2016-12-01

    Extant crocodilians are a highly apomorphic archosaur clade that is ectothermic, yet often achieve large body sizes that can be subject to higher heat loads. Therefore, the anatomical and physiological roles that blood vessels play in crocodilian thermoregulation need further investigation to better understand how crocodilians establish and maintain cephalic temperatures and regulate neurosensory tissue temperatures during basking and normal activities. The cephalic vascular anatomy of extant crocodilians, particularly American alligator (Alligator mississippiensis) was investigated using a differential-contrast, dual-vascular injection technique and high resolution X-ray micro-computed tomography (μCT). Blood vessels were digitally isolated to create representations of vascular pathways. The specimens were then dissected to confirm CT results. Sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in evaporative cooling and cephalic thermoregulation in other diapsids. Blood vessels to and from sites of thermal exchange were studied to detect conserved vascular patterns and to assess their ability to deliver cooled blood to neurosensory tissues. Within the orbital region, both the arteries and veins demonstrated consistent branching patterns, with the supraorbital, infraorbital, and ophthalmotemporal vessels supplying and draining the orbit. The venous drainage of the orbital region showed connections to the dural sinuses via the orbital veins and cavernous sinus. The palatal region demonstrated a vast plexus that comprised both arteries and veins. The most direct route of venous drainage of the palatal plexus was through the palatomaxillary veins, essentially bypassing neurosensory tissues. Anastomotic connections with the nasal region, however, may provide an alternative route for palatal venous blood to reach neurosensory tissues. The nasal region in crocodilians is probably the most

  20. Vascular Patterns in Iguanas and Other Squamates: Blood Vessels and Sites of Thermal Exchange

    PubMed Central

    Porter, William Ruger; Witmer, Lawrence M.

    2015-01-01

    Squamates use the circulatory system to regulate body and head temperatures during both heating and cooling. The flexibility of this system, which possibly exceeds that of endotherms, offers a number of physiological mechanisms to gain or retain heat (e.g., increase peripheral blood flow and heart rate, cooling the head to prolong basking time for the body) as well as to shed heat (modulate peripheral blood flow, expose sites of thermal exchange). Squamates also have the ability to establish and maintain the same head-to-body temperature differential that birds, crocodilians, and mammals demonstrate, but without a discrete rete or other vascular physiological device. Squamates offer important anatomical and phylogenetic evidence for the inference of the blood vessels of dinosaurs and other extinct archosaurs in that they shed light on the basal diapsid condition. Given this basal positioning, squamates likewise inform and constrain the range of physiological thermoregulatory mechanisms that may have been found in Dinosauria. Unfortunately, the literature on squamate vascular anatomy is limited. Cephalic vascular anatomy of green iguanas (Iguana iguana) was investigated using a differential-contrast, dual-vascular injection (DCDVI) technique and high-resolution X-ray microcomputed tomography (μCT). Blood vessels were digitally segmented to create a surface representation of vascular pathways. Known sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in brain and cephalic thermoregulation. Blood vessels to and from sites of thermal exchange were investigated to detect conserved vascular patterns and to assess their ability to deliver cooled blood to the dural venous sinuses. Arteries within sites of thermal exchange were found to deliver blood directly and through collateral pathways. The venous drainage was found to have multiple pathways that could influence neurosensory tissue temperature

  1. Uniform Deterministic Discrete Method for three dimensional systems

    NASA Astrophysics Data System (ADS)

    Li, Ben-Wen; Tao, Wen-Quan; Nie, Yu-Hong

    1997-06-01

    For radiative direct exchange areas in three dimensional system, the Uniform Deterministic Discrete Method (UDDM) was adopted. The spherical surface dividing method for sending area element and the regular icosahedron for sending volume element can meet with the direct exchange area computation of any kind of zone pairs. The numerical examples of direct exchange area in three dimensional system with nonhomogeneous attenuation coefficients indicated that the UDDM can give very high numerical accuracy.

  2. The Deterministic Information Bottleneck

    NASA Astrophysics Data System (ADS)

    Strouse, D. J.; Schwab, David

    2015-03-01

    A fundamental and ubiquitous task that all organisms face is prediction of the future based on past sensory experience. Since an individual's memory resources are limited and costly, however, there is a tradeoff between memory cost and predictive payoff. The information bottleneck (IB) method (Tishby, Pereira, & Bialek 2000) formulates this tradeoff as a mathematical optimization problem using an information theoretic cost function. IB encourages storing as few bits of past sensory input as possible while selectively preserving the bits that are most predictive of the future. Here we introduce an alternative formulation of the IB method, which we call the deterministic information bottleneck (DIB). First, we argue for an alternative cost function, which better represents the biologically-motivated goal of minimizing required memory resources. Then, we show that this seemingly minor change has the dramatic effect of converting the optimal memory encoder from stochastic to deterministic. Next, we propose an iterative algorithm for solving the DIB problem. Additionally, we compare the IB and DIB methods on a variety of synthetic datasets, and examine the performance of retinal ganglion cell populations relative to the optimal encoding strategy for each problem.

  3. Localizing Carbohydrate Binding Sites in Proteins Using Hydrogen/Deuterium Exchange Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Zhang, Jingjing; Kitova, Elena N.; Li, Jun; Eugenio, Luiz; Ng, Kenneth; Klassen, John S.

    2016-01-01

    The application of hydrogen/deuterium exchange mass spectrometry (HDX-MS) to localize ligand binding sites in carbohydrate-binding proteins is described. Proteins from three bacterial toxins, the B subunit homopentamers of Cholera toxin and Shiga toxin type 1 and a fragment of Clostridium difficile toxin A, and their interactions with native carbohydrate receptors, GM1 pentasaccharides (β-Gal-(1→3)-β-GalNAc-(1→4)[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-Glc), Pk trisaccharide (α-Gal-(1→4)-β-Gal-(1→4)-Glc) and CD-grease (α-Gal-(1→3)-β-Gal-(1→4)-β-GlcNAcO(CH2)8CO2CH3), respectively, served as model systems for this study. Comparison of the differences in deuterium uptake for peptic peptides produced in the absence and presence of ligand revealed regions of the proteins that are protected against deuterium exchange upon ligand binding. Notably, protected regions generally coincide with the carbohydrate binding sites identified by X-ray crystallography. However, ligand binding can also result in increased deuterium exchange in other parts of the protein, presumably through allosteric effects. Overall, the results of this study suggest that HDX-MS can serve as a useful tool for localizing the ligand binding sites in carbohydrate-binding proteins. However, a detailed interpretation of the changes in deuterium exchange upon ligand binding can be challenging because of the presence of ligand-induced changes in protein structure and dynamics.

  4. O2 activation by binuclear Cu sites: Noncoupled versus exchange coupled reaction mechanisms

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Solomon, Edward I.

    2004-09-01

    Binuclear Cu proteins play vital roles in O2 binding and activation in biology and can be classified into coupled and noncoupled binuclear sites based on the magnetic interaction between the two Cu centers. Coupled binuclear Cu proteins include hemocyanin, tyrosinase, and catechol oxidase. These proteins have two Cu centers strongly magnetically coupled through direct bridging ligands that provide a mechanism for the 2-electron reduction of O2 to a µ-2:2 side-on peroxide bridged species. This side-on bridged peroxo-CuII2 species is activated for electrophilic attack on the phenolic ring of substrates. Noncoupled binuclear Cu proteins include peptidylglycine -hydroxylating monooxygenase and dopamine -monooxygenase. These proteins have binuclear Cu active sites that are distant, that exhibit no exchange interaction, and that activate O2 at a single Cu center to generate a reactive CuII/O2 species for H-atom abstraction from the C-H bond of substrates. O2 intermediates in the coupled binuclear Cu enzymes can be trapped and studied spectroscopically. Possible intermediates in noncoupled binuclear Cu proteins can be defined through correlation to mononuclear CuII/O2 model complexes. The different intermediates in these two classes of binuclear Cu proteins exhibit different reactivities that correlate with their different electronic structures and exchange coupling interactions between the binuclear Cu centers. These studies provide insight into the role of exchange coupling between the Cu centers in their reaction mechanisms.

  5. Identifying and quantitating conformational exchange in membrane proteins using site-directed spin labeling.

    PubMed

    Cafiso, David S

    2014-10-21

    Protein structures are not static but sample different conformations over a range of amplitudes and time scales. These fluctuations may involve relatively small changes in bond angles or quite large rearrangements in secondary structure and tertiary fold. The equilibrium between discrete structural substates on the microsecond to millisecond time scale is sometimes termed conformational exchange. Protein dynamics and conformational exchange are believed to provide the basis for many important activities, such as protein-protein and protein-ligand interactions, enzymatic activity and protein allostery; however, for many proteins, the dynamics and conformational exchange that lead to function are poorly defined. Spectroscopic methods, such as NMR, are among the most important methods to explore protein dynamics and conformational exchange; however, they are difficult to implement in some systems and with some types of exchange events. Site-directed spin labeling (SDSL) is an EPR based approach that is particularly well-suited to high molecular-weight systems such as membrane proteins. Because of the relatively fast time scale for EPR spectroscopy, it is an excellent method to examine exchange. Conformations that are in exchange are captured as distinct populations in the EPR spectrum, and this feature when combined with the use of methods that can shift the free energy of conformational substates allows one to identify regions of proteins that are in dynamic exchange. In addition, modern pulse EPR methods have the ability to examine conformational heterogeneity, resolve discrete protein states, and identify the substates in exchange. Protein crystallography has provided high-resolution models for a number of membrane proteins; but because of conformational exchange, these models do not always reflect the structures that are present when the protein is in a native bilayer environment. In the case of the Escherichia coli vitamin B12 transporter, BtuB, the energy

  6. Identifying and Quantitating Conformational Exchange in Membrane Proteins Using Site-Directed Spin Labeling

    PubMed Central

    2015-01-01

    Conspectus Protein structures are not static but sample different conformations over a range of amplitudes and time scales. These fluctuations may involve relatively small changes in bond angles or quite large rearrangements in secondary structure and tertiary fold. The equilibrium between discrete structural substates on the microsecond to millisecond time scale is sometimes termed conformational exchange. Protein dynamics and conformational exchange are believed to provide the basis for many important activities, such as protein–protein and protein–ligand interactions, enzymatic activity and protein allostery; however, for many proteins, the dynamics and conformational exchange that lead to function are poorly defined. Spectroscopic methods, such as NMR, are among the most important methods to explore protein dynamics and conformational exchange; however, they are difficult to implement in some systems and with some types of exchange events. Site-directed spin labeling (SDSL) is an EPR based approach that is particularly well-suited to high molecular-weight systems such as membrane proteins. Because of the relatively fast time scale for EPR spectroscopy, it is an excellent method to examine exchange. Conformations that are in exchange are captured as distinct populations in the EPR spectrum, and this feature when combined with the use of methods that can shift the free energy of conformational substates allows one to identify regions of proteins that are in dynamic exchange. In addition, modern pulse EPR methods have the ability to examine conformational heterogeneity, resolve discrete protein states, and identify the substates in exchange. Protein crystallography has provided high-resolution models for a number of membrane proteins; but because of conformational exchange, these models do not always reflect the structures that are present when the protein is in a native bilayer environment. In the case of the Escherichia coli vitamin B12 transporter, Btu

  7. Identification of residues that control Li(+) versus Na(+) dependent Ca(2+) exchange at the transport site of the mitochondrial NCLX.

    PubMed

    Roy, Soumitra; Dey, Kuntal; Hershfinkel, Michal; Ohana, Ehud; Sekler, Israel

    2017-06-01

    The Na(+)/Ca(2+)/Li(+) exchanger (NCLX) is a member of the Na(+)/Ca(2+) exchanger family. NCLX is unique in its capacity to transport both Na(+) and Li(+), unlike other members, which are Na(+) selective. The major aim of this study was twofold, i.e., to identify NCLX residues that confer Li(+) or Na(+) selective Ca(2+) transport and map their putative location on NCLX cation transport site. We combined molecular modeling to map transport site of NCLX with euryarchaeal H(+)/Ca(2+) exchanger, CAX_Af, and fluorescence analysis to monitor Li(+) versus Na(+) dependent mitochondrial Ca(2+) efflux of transport site mutants of NCLX in permeabilized cells. Mutation of Asn149, Pro152, Asp153, Gly176, Asn467, Ser468, Gly494 and Asn498 partially or strongly abolished mitochondrial Ca(2+) exchange activity in intact cells. In permeabilized cells, N149A, P152A, D153A, N467Q, S468T and G494S demonstrated normal Li(+)/Ca(2+) exchange activity but a reduced Na(+)/Ca(2+) exchange activity. On the other hand, D471A showed dramatically reduced Li(+)/Ca(2+) exchange, but Na(+)/Ca(2+) exchange activity was unaffected. Finally, simultaneous mutation of four putative Ca(2+) binding residues was required to completely abolish both Na(+)/Ca(2+) and Li(+)/Ca(2+) exchange activities. We identified distinct Na(+) and Li(+) selective residues in the NCLX transport site. We propose that functional segregation in Li(+) and Na(+) sites reflects the functional properties of NCLX required for Ca(2+) exchange under the unique membrane potential and ion gradient across the inner mitochondrial membrane. The results of this study provide functional insights into the unique Li(+) and Na(+) selectivity of the mitochondrial exchanger. This article is part of a Special Issue entitled: ECS Meeting edited by Claus Heizmann, Joachim Krebs and Jacques Haiech. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Sulfate-chloride exchange by lobster hepatopancreas is regulated by pH-sensitive modifier sites

    SciTech Connect

    Cattey, M.A.; Ahearn, G.A.; Gerencser, G.A. Univ. of Florida, Gainesville )

    1991-03-15

    {sup 35}SO{sub 4}{sup 2{minus}} uptake by Atlantic lobster (Homarus americanus) hepatopancreatic epithelial brush border membrane vesicles (BBMV) was stimulated by internal Cl{sup {minus}}, but not internal HCO{sub 3}{sup {minus}}, or external Na{sup +}. Sulfate-chloride exchange was stimulated by inside positive, and inhibited by inside negative, trans-membrane K diffusion potentials. {sup 35}SO{sub 4}{sup 2{minus}}-Cl{sup {minus}} exchange was strongly inhibited by 4,4{prime} diisothiocyanostilbene-2,2{prime}-disulfonic acid (DIDS), 4-acetamido-4{prime}-isotheocynaostilbene-2,2{prime}-disulfonic acid, (SITS), and thiosulfate. Chloride, bicarbonate, furosamide, and bumetanide slightly, yet significantly, cis-inhibited {sup 35}SO{sub 4}{sup 2{minus}}-Cl{sup {minus}} exchange. Altering bilateral pH from 8.0 to 5.4 stimulated {sup 35}SO{sub 4}{sup 2{minus}}-Cl{sup {minus}} exchange when vesicles were loaded with Cl{sup {minus}}, but reduced bilateral pH alone or the presence of pH gradients did not affect {sup 35}SO{sub 4}{sup 2{minus}} transport in the absence of internal Cl{sup {minus}}. {sup 36}Cl uptake into SO{sub 4}{sup 2{minus}}-loaded BBMV was stimulated by an internal negative membrane potential and inhibited when the interior was electrically positive. A model is proposed which suggests that SO{sub 4}{sup 2{minus}}-Cl{sup {minus}} exchange is regulated by internal and external pH-sensitive modifier sites on the anion antiporter and by coupling to the electrogenic 2 Na{sup +}/1 H{sup +} antiporter and by coupling to the electrogenic 2 Na{sup +}/1 H{sup +} antiporter on the same membrane.

  9. Westinghouse Savannah River Site Supplier Environmental Restoration and Waste Management Information Exchange Forum

    SciTech Connect

    Sturm, H.F. Jr.; Hottel, R.E.; Christoper, N.

    1994-06-01

    The Savannah River Site conducted its first Supplier Information Exchange in September 1993. The intent of the conference was to inform potential suppliers of the Savannah River Sites mission and research and development program objectives in the areas of environmental restoration and waste management, and to solicit proposals for innovative research in those areas. Major areas addressed were Solid Waste, Environmental Restoration, Environmental Monitoring, Transition/Decontamination and Decommissioning, and the Savannah River Technology Center. A total of 1062 proposals were received addressing the 89 abstracts presented. This paper will describe the forum the process for solicitation, the process for proposal review and selection, and review the overall results and benefits to Savannah River.

  10. Controlling factors of biosphere-atmosphere ammonia exchange at a semi-natural peatland site

    NASA Astrophysics Data System (ADS)

    Brummer, C.; Richter, U.; Smith, J. J.; Delorme, J. P.; Kutsch, W. L.

    2014-12-01

    Recent advancements in laser spectrometry offer new opportunities to investigate net biosphere-atmosphere exchange of ammonia. During a three month field campaign from February to May 2014, we tested the performance of a quantum cascade laser within an eddy-covariance setup. The laser was operated at a semi-natural peatland site that is surrounded by highly fertilized agricultural land and intensive livestock production (~1 km distance). Ammonia concentrations were highly variable between 2 and almost 100 ppb with an average value of 15 ppb. Different concentration patterns could be identified. The variability was closely linked to the timing of management practices and the prevailing local climate, particularly wind direction, temperature and surface wetness with the latter indicating higher non-stomatal uptake under wet conditions leading to decreased concentrations. Average ammonia fluxes were around -15 ng N m-2 s-1 at the beginning of the campaign in February and shifted towards a neutral average exchange regime of -1 to 0 ng N m-2 s-1 in April and May. Intriguingly, during the time of decreasing ammonia uptake, concentrations were considerably rising, which clearly indicated N saturation in the predominant vegetation such as bog heather, purple moor-grass, and cotton grass. The cumulative net uptake for the period of investigation was ~300 g N ha-1. This stresses the importance of a thorough method inter-comparison, e.g. with denuder systems in combination with dry deposition modeling. As previous results from the latter methods showed an annual uptake of ~9 kg N ha-1 for the same site, the implementation of adequate ammonia compensation point parameterizations become crucial in surface-atmosphere exchange schemes for bog vegetation. Through their high temporal resolution, robustness and continuous measurement mode, quantum cascade lasers will help assessing the effects of atmospheric N loads to vulnerable N-limited ecosystems such as peatlands.

  11. Two tight binding sites for ADP and their interactions during nucleotide exchange in chloroplast coupling factor 1.

    PubMed

    Digel, J G; McCarty, R E

    1995-11-07

    Chloroplast coupling factor 1 (CF1) deficient in its epsilon subunit was loaded with 2'(3')-O-trinitrophenyl-ADP (TNP-ADP), and the release of tightly bound TNP-ADP was followed as a decrease in fluorescence. TNP-ADP could be exchanged for medium ADP, ATP, MgADP, and MgATP. The preferred substrate for exchange was MgADP, particularly in the presence of P(i). One nucleotide binding site contained ADP which was not displaced during TNP-ADP loading. When Mg2+ was bound at this site, complete exchange of bound TNP-ADP for medium nucleotide was prevented. This tightly bound MgADP was removed by incubation of the enzyme with EDTA. Tightly bound TNP-ADP was removed by high concentrations of sulfite, sulfate, or P(i) in the absence of medium nucleotide and free Mg2+, regardless of the bound Mg2+ content of the enzyme. Sulfite and P(i), in the presence of medium nucleotide and Mg2+, enabled complete exchange of tightly bound TNP-ADP. The combination of Mg2+ and sulfite, or Mg2+ and P(i), caused exchange of tightly bound ADP from two different sites. These results suggest that both sites exchange when the enzyme is fully active, and that at least three sites are likely to participate in catalysis.

  12. Changing trends in carbon dioxide exchange components in three Arctic tundra sites

    NASA Astrophysics Data System (ADS)

    Mbufong, Herbert; Lund, Magnus; Christensen, Torben; Jackowicz-Korczynski, Marcin; Parmentier, Frans-Jan; Dolman, Han; van der Molen, Michiel; Tamstorf, Mikkel

    2014-05-01

    This paper aims to investigate the interannual variability in carbon flux components in a High, Low and Sub Arctic tundra site. By identifying trends in different tundra types, we can better understand the possible future response of Arctic tundra under climatic change. The timing and length of seasons, alongside environmental controls, have been examined to assess their effect on the seasonal carbon budgets of these sites. Data was collected using the micrometeorological eddy covariance technique from three Arctic tundra sites in Greenland (74.47 °N), Siberia (70.82 °N) and Sweden (68.33 °N). We have hypothesized that the interannual trends in net ecosystem exchange (NEE) components will vary between the different tundra types in this study and will most likely be driven by temperature, vegetation characteristics (NDVI) and season phenology (start and length of seasons). Our results will present the evolution of the seasonal budgets (Thaw, pre-green, green, post-green seasons) of NEE components; and the drivers of these trends over 6 years (2003 - 2008) in these three sites. These and more will be presented at the conference.

  13. Observation of atmosphere-forest exchange processes at the new TERENO site Wüstebach

    NASA Astrophysics Data System (ADS)

    Graf, A.; Drüe, C.; Ney, P.; Heinemann, G.; Pütz, T.

    2012-12-01

    The Wüstebach site is located in a spruce forest covering the catchment of a small creek called 'Wüstebach' in the German National Park Eifel. It is part of the 'Eifel/Lower Rhine Valley' Observatory within the German Terrestrial Environmental Observatories (TERENO) network. The site hosts a 36-m tower with instrumentation to yield long-term monitoring of the atmosphere-canopy exchange processes of a typical mid-latitude forest. To characterize the entire exchange process, quantities are measured above, within and below the vegetation: Flux measurements, i.e. eddy-covariance (EC) measurements of heat, momentum, CO2 and water-vapor fluxes, are taken above the canopy. Profile measurements of mean quantities are taken from the ground to 1.2 times canopy height; CO2 and N2O concentration profiles are planned. Surface and soil property measurements are performed around the tower base. Cosmic ray probes deployed in the area and 150 soil measurement stations with 900 soil moisture and 300 temperature sensors allow insight into temporal dynamics of soil moisture patterns. Both enable investigations of the coherence of footprint and spatio-temporal moisture patterns. The tower is planned to become integrated into the ICOS (Integrated Carbon Observation System) program as a secondary site. Additionally, it will serve as a reference for a nearby clear cut intended to accelerate succession from the current spruce plantation (picea abies) to natural vegetation dominated by beech. Results are shown for the first two years of eddy-covariance data. In addition, an evaluation for different quality control schemes is presented.

  14. Mitochondrial ATP-Pi exchange complex and the site of uncoupling of oxidative phosphorylation.

    PubMed

    Hatefi, Y; Hanstein, W G; Galante, Y; Stiggall, D L

    1975-07-01

    Five enzyme complexes, which are concerned with electron transport and oxidative phosphorylation, have been isolated from beef heart mitochondria. Enzyme complexes I, II, III and IV are the electron transfer complexes discovered in 1961. Complex V is an energy-conserving complex. It catalyzes ATP-Pi exchange and ATP hydrolysis. The exchange reaction is sensitive to uncouplers, rutamycin, valinomycin plus K-+, dicyclorexylcarboditmide, arsenate, azide, and adenylyl imidodiphosphate. It is also specific for ATP; ITP, GTP and UTP are essentially ineffective. Studies with the photoaffinity labeling uncoupler, 2-azido-4-nitrophenol (NPA), have shown that the mitochondrial uncoupler-binding sites are located exclusively in complex V. Complexes I, III and IV, which carry the three coupling sites of the respiratory chain, had negligible capacity for the binding of NPA, whereas the uncoupler-binding capacity of complex V appeared to be increased two- to threefold as compared to mitochondria. Complexes I, II, III, IV and V are obtained from the same batch of mitochondria by a simple fractionation procedure, which employs cholate, deoxycholate, ammonium acetate and ammonium sulfate. Studies with NPA have shown that mitochondria contain per milligram protein about 0.6 nmole of uniformly reacting uncoupler binding site. All of the uncouplers tested appeared to interact competitively with this site. Photoaffinity labeling with tritiated NPA has shown that a major portion of NPA binds to a polypeptide of molecular weight between 26,000 and 30,000. Other studies on the mechanism of uncoupling have shown that picrate is a membrane-impermeable uncoupler. It cannot uncouple mitochondria. However, it is an effective uncoupler of ATP synthesis and ATP-induced transhydrogenation or reverse electron transfer when used in conjunction with sonicated submitochondrial particles, which have an inside-out orientation of the inner membrane with respect to the medium. In these particles, picrate

  15. Self-stabilizing Deterministic Gathering

    NASA Astrophysics Data System (ADS)

    Dieudonné, Yoann; Petit, Franck

    In this paper, we investigate the possibility to deterministically solve the gathering problem (GP) with weak robots (anonymous, autonomous, disoriented, oblivious, deaf, and dumb). We introduce strong multiplicity detection as the ability for the robots to detect the exact number of robots located at a given position. We show that with strong multiplicity detection, there exists a deterministic self-stabilizing algorithm solving GP for n robots if, and only if, n is odd.

  16. Site-Specific Cassette Exchange Systems in the Aedes aegypti Mosquito and the Plutella xylostella Moth

    PubMed Central

    Haghighat-Khah, Roya Elaine; Scaife, Sarah; Martins, Sara; St John, Oliver; Matzen, Kelly Jean; Morrison, Neil; Alphey, Luke

    2015-01-01

    Genetically engineered insects are being evaluated as potential tools to decrease the economic and public health burden of mosquitoes and agricultural pest insects. Here we describe a new tool for the reliable and targeted genome manipulation of pest insects for research and field release using recombinase mediated cassette exchange (RMCE) mechanisms. We successfully demonstrated the established ΦC31-RMCE method in the yellow fever mosquito, Aedes aegypti, which is the first report of RMCE in mosquitoes. A new variant of this RMCE system, called iRMCE, combines the ΦC31-att integration system and Cre or FLP-mediated excision to remove extraneous sequences introduced as part of the site-specific integration process. Complete iRMCE was achieved in two important insect pests, Aedes aegypti and the diamondback moth, Plutella xylostella, demonstrating the transferability of the system across a wide phylogenetic range of insect pests. PMID:25830287

  17. Replacement tunnelled dialysis catheters for haemodialysis access: Same site, new site, or exchange - a multivariate analysis and risk score.

    PubMed

    Tapping, C R; Scott, P M; Lakshminarayan, R; Ettles, D F; Robinson, G J

    2012-10-01

    To identify variables related to complications following tunnelled dialysis catheter (TDC) replacement and stratifying the risk to reduce morbidity in patients with end-stage renal disease. One hundred and forty TDCs (Split Cath, medCOMP) were replaced in 140 patients over a 5 year period. Multiple variables were retrospectively collected and analysed to stratify the risk and to predict patients who were more likely to suffer from complications. Multivariate regression analysis was used to identify variables predictive of complications. There were six immediate complications, 42 early complications, and 37 late complications. Multivariate analysis revealed that variables significantly associated to complications were: female sex (p = 0.003; OR 2.9); previous TDC in the same anatomical position in the past (p = 0.014; OR 4.1); catheter exchange (p = 0.038; OR 3.8); haemoglobin <11 g/dl (p = 0.033; OR 3.6); albumin <30 g/l (p = 0.007; OR 4.4); prothrombin time >15 s (p = 0.002; OR 4.1); and C-reactive protein >50 mg/l (p = 0.007; OR 4.6). A high-risk score, which used the values from the multivariate analysis, predicted 100% of the immediate complications, 95% of the early complications, and 68% of the late complications. Patients can now be scored prior to TDC replacement. A patient with a high-risk score can be optimized to reduce the chance of complications. Further prospective studies to confirm that rotating the site of TDC reduces complications are warranted as this has implications for current guidelines. Copyright © 2012 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  18. Auto-FACE: An NMR Based Binding Site Mapping Program for Fast Chemical Exchange Protein-Ligand Systems

    PubMed Central

    Krishnamoorthy, Janarthanan; Yu, Victor C. K.; Mok, Yu-Keung

    2010-01-01

    Background Nuclear Magnetic Resonance (NMR) spectroscopy offers a variety of experiments to study protein-ligand interactions at atomic resolution. Among these experiments, N Heteronuclear Single Quantum Correlation (HSQC) experiment is simple, less time consuming and highly informative in mapping the binding site of the ligand. The interpretation of N HSQC becomes ambiguous when the chemical shift perturbations are caused by non-specific interactions like allosteric changes and local structural rearrangement. Under such cases, detailed chemical exchange analysis based on chemical shift perturbation will assist in locating the binding site accurately. Methodology/Principal Findings We have automated the mapping of binding sites for fast chemical exchange systems using information obtained from N HSQC spectra of protein serially titrated with ligand of increasing concentrations. The automated program Auto-FACE (Auto-FAst Chemical Exchange analyzer) determines the parameters, e.g. rate of change of perturbation, binding equilibrium constant and magnitude of chemical shift perturbation to map the binding site residues. Interestingly, the rate of change of perturbation at lower ligand concentration is highly sensitive in differentiating the binding site residues from the non-binding site residues. To validate this program, the interaction between the protein and the ligand BH3I-1 was studied. Residues in the hydrophobic BH3 binding groove of were easily identified to be crucial for interaction with BH3I-1 from other residues that also exhibited perturbation. The geometrically averaged equilibrium constant () calculated for the residues present at the identified binding site is consistent with the values obtained by other techniques like isothermal calorimetry and fluorescence polarization assays (). Adjacent to the primary site, an additional binding site was identified which had an affinity of 3.8 times weaker than the former one. Further NMR based model fitting for

  19. Characterization of the Cation Binding Sites in the NCKX2 Na(+)/Ca(2+)-K(+) Exchanger.

    PubMed

    Zhekova, Hristina; Zhao, Chunfeng; Schnetkamp, Paul P M; Noskov, Sergei Yu

    2016-11-22

    NCKX1-5 are proteins involved in K(+)-dependent Na(+)/Ca(2+) exchange in various signal tissues. Here we present a homology model of NCKX2 based on the crystal structure of the NCX_Mj transporter found in Methanoccocus jannaschii. Molecular dynamics simulations were performed on the resultant wild-type NCKX2 model and two mutants (D548N and D575N) loaded with either four Na(+) ions or one Ca(2+) ion and one K(+) ion, in line with the experimentally observed transport stoichiometry. The selectivity of the active site in wild-type NCKX2 for Na(+), K(+), and Li(+) and the electrostatic interactions of the positive Na(+) ions in the negatively charged active site of wild-type NCKX2 and the two mutants were evaluated from free energy perturbation calculations. For validation of the homology model, our computational results were compared to available experimental data obtained from numerous prior functional studies. The NCKX2 homology model is in good agreement with the discussed experimental data and provides valuable insights into the structure of the active site, which is lined with acidic and polar residues. The binding of the potassium and calcium ions is accomplished via Asp 575 and 548, respectively. Mutation of these residues to Asn alters the functionality of NCKX2 because of the elimination of the favorable carboxylate-cation interactions. The knowledge obtained from the NCKX2 model can be transferred to other isoforms of the NCKX family: newly discovered pathological mutations in NCKX4 and NCKX5 affect residues that are involved in ion binding and/or transport according to our homology model.

  20. Deterministic teleportation of electrons in a quantum dot nanostructure.

    PubMed

    de Visser, R L; Blaauboer, M

    2006-06-23

    We present a proposal for deterministic quantum teleportation of electrons in a semiconductor nanostructure consisting of a single and a double quantum dot. The central issue addressed in this Letter is how to design and implement the most efficient--in terms of the required number of single and two-qubit operations--deterministic teleportation protocol for this system. Using a group-theoretical analysis, we show that deterministic teleportation requires a minimum of three single-qubit rotations and two entangling (square root SWAP) operations. These can be implemented for spin qubits in quantum dots using electron-spin resonance (for single-spin rotations) and exchange interaction (for square root SWAP operations).

  1. Two-site equilibrium model for ion exchange between monovalent cations and zeolite-a in a molten salt.

    SciTech Connect

    Simpson, M. F.; Gougar, M. L. D.; Engineering Technology

    2003-09-03

    A two-site model has been derived and tested against experimental data for monovalent species ion exchange in molten chloride salt/zeolite A. This system is of interest for the application of spent nuclear fuel treatment. Fission products and transuranics that accumulate in a molten salt electrorefining process can be preferentially removed and eventually stabilized in a waste form, using zeolite A. An excellent fit of Cs-Rb-Na-Li-K data to the model was found with different selectivity sequences for the two sites. Cesium was found to be the preferred cation in the ?-cage sites, while lithium was preferred in the framework sites.

  2. Structural Model of the Anion Exchanger 1 (SLC4A1) and Identification of Transmembrane Segments Forming the Transport Site

    PubMed Central

    Barneaud-Rocca, Damien; Etchebest, Catherine; Guizouarn, Hélène

    2013-01-01

    The anion exchanger 1 (AE1), a member of bicarbonate transporter family SLC4, mediates an electroneutral chloride/bicarbonate exchange in physiological conditions. However, some point mutations in AE1 membrane-spanning domain convert the electroneutral anion exchanger into a Na+ and K+ conductance or induce a cation leak in a still functional anion exchanger. The molecular determinants that govern ion movement through this transporter are still unknown. The present study was intended to identify the ion translocation pathway within AE1. In the absence of a resolutive three-dimensional structure of AE1 membrane-spanning domain, in silico modeling combined with site-directed mutagenesis experiments was done. A structural model of AE1 membrane-spanning domain is proposed, and this model is based on the structure of a uracil-proton symporter. This model was used to design cysteine-scanning mutagenesis on transmembrane (TM) segments 3 and 5. By measuring AE1 anion exchange activity or cation leak, it is proposed that there is a unique transport site comprising TM3–5 and TM8 that should function as an anion exchanger and a cation leak. PMID:23846695

  3. Deterministic multidimensional nonuniform gap sampling.

    PubMed

    Worley, Bradley; Powers, Robert

    2015-12-01

    Born from empirical observations in nonuniformly sampled multidimensional NMR data relating to gaps between sampled points, the Poisson-gap sampling method has enjoyed widespread use in biomolecular NMR. While the majority of nonuniform sampling schemes are fully randomly drawn from probability densities that vary over a Nyquist grid, the Poisson-gap scheme employs constrained random deviates to minimize the gaps between sampled grid points. We describe a deterministic gap sampling method, based on the average behavior of Poisson-gap sampling, which performs comparably to its random counterpart with the additional benefit of completely deterministic behavior. We also introduce a general algorithm for multidimensional nonuniform sampling based on a gap equation, and apply it to yield a deterministic sampling scheme that combines burst-mode sampling features with those of Poisson-gap schemes. Finally, we derive a relationship between stochastic gap equations and the expectation value of their sampling probability densities. Copyright © 2015 Elsevier Inc. All rights reserved.

  4. Capillary zone electrophoresis and ion-exchange capillary electrochromatography: analytical tools for probing the Hanford nuclear site environment.

    PubMed

    Li, D; Knobel, H H; Remcho, V T

    1997-07-18

    Ion-exchange capillary electrochromatography (IE-CEC) is a relatively new separation technique based on the combination of ion-exchange chromatographic and electrophoretic separation mechanisms. IE-CEC offers both the efficiency of capillary electrophoresis and the selectivity and sample capacity of ion-exchange chromatography. The utility of the method was examined with I- and IO3-, which are common constituents of nuclear wastes at Hanford, Washington and other U.S. Department of Energy (DoE) sites, and ReO4-, a surrogate for TcO4-. The advantages and limitations of IE-CEC relative to capillary zone electrophoresis (CZE) are explored. The chief advantages are increased loading capacity and an alternative selectivity to that of CZE, in addition to increased efficiency (relative to conventional ion-exchange chromatography). The run-to-run reproducibility of IE-CEC, however, was found to be a limitation of the technique.

  5. Mixed deterministic and probabilistic networks

    PubMed Central

    Dechter, Rina

    2010-01-01

    The paper introduces mixed networks, a new graphical model framework for expressing and reasoning with probabilistic and deterministic information. The motivation to develop mixed networks stems from the desire to fully exploit the deterministic information (constraints) that is often present in graphical models. Several concepts and algorithms specific to belief networks and constraint networks are combined, achieving computational efficiency, semantic coherence and user-interface convenience. We define the semantics and graphical representation of mixed networks, and discuss the two main types of algorithms for processing them: inference-based and search-based. A preliminary experimental evaluation shows the benefits of the new model. PMID:20981243

  6. Fluid turbulence - Deterministic or statistical

    NASA Astrophysics Data System (ADS)

    Cheng, Sin-I.

    The deterministic view of turbulence suggests that the classical theory of fluid turbulence may be treating the wrong entity. The paper explores the physical implications of such an abstract mathematical result, and provides a constructive computational demonstration of the deterministic and the wave nature of fluid turbulence. The associated pressure disturbance for restoring solenoidal velocity is the primary agent, and its reflection from solid surface(s) the dominant mechanism of turbulence production. Statistical properties and their modeling must address to the statistics of the uncertainties of initial boundary data of the ensemble.

  7. Retention studies of DNA on anion-exchange monolith chromatography Binding site and elution behavior.

    PubMed

    Yamamoto, Shuichi; Nakamura, Masashi; Tarmann, Christina; Jungbauer, Alois

    2007-03-09

    Linear gradient elution experiments were carried out on monolithic anion-exchange chromatography (AEC) with oligo-DNAs of various sizes (4-50mer, molecular weight M(W)=1200-15,000) and compositions in order to investigate the retention mechanism. The binding site (B) values as well as the peak salt elution concentration I(R) values were determined. The B values determined for the monolithic AEC were similar to the values for non-porous AEC and porous AEC. The B value increased linearly with the number of charges (bases) of single-strand DNA when M(W) is less than ca. 3600 (12mer). When M(W) is greater than 6000, the slope of B versus M(W) decreased, and became very small at M(W)>30,000. The I(R) value also increased linearly with M(W) for M(W)<6000, and slightly with M(W) for M(W)>10,000. It was shown that a very difficult separation of a single-strand 50mer poly(T) and a double-strand 50mer poly(A) and poly(T) was accomplished within 10 min by using a very shallow gradient at a high initial salt concentration (0.5M) and a high flow-velocity (2.7 cm/min).

  8. Site-specific recombination in the chicken genome using Flipase recombinase-mediated cassette exchange.

    PubMed

    Lee, Hong Jo; Lee, Hyung Chul; Kim, Young Min; Hwang, Young Sun; Park, Young Hyun; Park, Tae Sub; Han, Jae Yong

    2016-02-01

    Targeted genome recombination has been applied in diverse research fields and has a wide range of possible applications. In particular, the discovery of specific loci in the genome that support robust and ubiquitous expression of integrated genes and the development of genome-editing technology have facilitated rapid advances in various scientific areas. In this study, we produced transgenic (TG) chickens that can induce recombinase-mediated gene cassette exchange (RMCE), one of the site-specific recombination technologies, and confirmed RMCE in TG chicken-derived cells. As a result, we established TG chicken lines that have, Flipase (Flp) recognition target (FRT) pairs in the chicken genome, mediated by piggyBac transposition. The transgene integration patterns were diverse in each TG chicken line, and the integration diversity resulted in diverse levels of expression of exogenous genes in each tissue of the TG chickens. In addition, the replaced gene cassette was expressed successfully and maintained by RMCE in the FRT predominant loci of TG chicken-derived cells. These results indicate that targeted genome recombination technology with RMCE could be adaptable to TG chicken models and that the technology would be applicable to specific gene regulation by cis-element insertion and customized expression of functional proteins at predicted levels without epigenetic influence.

  9. Deterministic models for traffic jams

    NASA Astrophysics Data System (ADS)

    Nagel, Kai; Herrmann, Hans J.

    1993-10-01

    We study several deterministic one-dimensional traffic models. For integer positions and velocities we find the typical high and low density phases separated by a simple transition. If positions and velocities are continuous variables the model shows self-organized critically driven by the slowest car.

  10. Mechanism for binding site diversity on ankyrin. Comparison of binding sites on ankyrin for neurofascin and the Cl-/HCO3- anion exchanger.

    PubMed

    Michaely, P; Bennett, V

    1995-12-29

    Ankyrins are a family of spectrin-binding proteins that associate with at least seven distinct membrane proteins, including ion transporters and cell adhesion molecules. The membrane-binding domain of ankyrin is comprised of a tandem array of 24 ANK repeats organized into four 6-repeat folding domains. Tandem arrays of ANK repeats have been proposed to mediate protein interactions in a variety of proteins including factors involved in the regulation of transcription and the cell cycle. This report provides several new insights into the versatility of ANK repeats of ankyrin in protein recognition, using neurofascin and the Cl-/HCO3- anion exchanger as model ligands and ankyrinR as the prototypic ankyrin. Different combinations of ANK repeat domains from this ankyrin form two distinct, high affinity binding sites for neurofascin. One site requires both repeat domains 3 and 4. The other site involves both repeat domains 2 and 3, although domain 2 has significant activity alone. The sites appear to be independent with Kd values of 3 and 14 nM, respectively. Both the Cl-/HCO3- anion exchanger and neurofascin can interact simultaneously with repeat domains 3 and 4, because neurofascin is unable to displace binding of the anion exchanger cytoplasmic domain to domains 3 and 4, despite having a 3-5-fold higher affinity. These results demonstrate two levels of diversity in the binding sites on ankyrin: one resulting from different combinations of ANK repeat domains and another from different determinants within the same combination of repeat domains. One consequence of this diversity is that ankyrin can accommodate two neurofascin molecules as well as the anion exchanger through interactions mediated by ANK repeats. The ability of ankyrin to simultaneously associate with multiple types of membrane proteins is an unanticipated finding with implications for the assembly of integral membrane proteins into specialized regions of the plasma membrane.

  11. A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

    SciTech Connect

    Leclerc, Monique Y.

    2014-11-17

    This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impact on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.

  12. Water-air and soil-air exchange rate of total gaseous mercury measured at background sites

    NASA Astrophysics Data System (ADS)

    Poissant, Laurier; Casimir, Alain

    In order to evaluate and understand the processes of water-air and soil-air exchanges involved at background sites, an intensive field measurement campaign has been achieved during the summer of 1995 using high-time resolution techniques (10 min) at two sites (land and water) in southern Québec (Canada). Mercury flux was measured using a dynamic flux chamber technique coupled with an automatic mercury vapour-phase analyser (namely, Tekran®). The flux chamber shows that the rural grassy site acted primarily as a source of atmospheric mercury, its flux mimicked the solar radiation, with a maximum daytime value of ˜ 8.3 ng m -2 h -1 of TGM. The water surface location (St. Lawrence River site located about 3 km from the land site) shows deposition and evasion fluxes almost in the same order of magnitude (-0.5 vs 1.0 ng m -2 h -1).The latter is influenced to some extent by solar radiation but primarily by the formation of a layer of stable air over the water surface in which some redox reactions might promote evasion processes over the water surface. This process does not appear over the soil surface. As a whole, soil-air exchange rate is about 6-8 fold greater than the water-air exchange.

  13. In dialyzed squid axons oxidative stress inhibits the Na+/Ca2+ exchanger by impairing the Cai2+-regulatory site.

    PubMed

    DiPolo, Reinaldo; Beaugé, Luis

    2011-09-01

    The Na(+)/Ca(2+) exchanger, a major mechanism by which cells extrude calcium, is involved in several physiological and physiopathological interactions. In this work we have used the dialyzed squid giant axon to study the effects of two oxidants, SIN-1-buffered peroxynitrite and hydrogen peroxide (H(2)O(2)), on the Na(+)/Ca(2+) exchanger in the absence and presence of MgATP upregulation. The results show that oxidative stress induced by peroxynitrite and hydrogen peroxide inhibits the Na(+)/Ca(2+) exchanger by impairing the intracellular Ca(2+) (Ca(i)(2+))-regulatory sites, leaving unharmed the intracellular Na(+)- and Ca(2+)-transporting sites. This effect is efficiently counteracted by the presence of MgATP and by intracellular alkalinization, conditions that also protect H(i)(+) and (H(i)(+) + Na(i)(+)) inhibition of Ca(i)(2+)-regulatory sites. In addition, 1 mM intracellular EGTA reduces oxidant inhibition. However, once the effects of oxidants are installed they cannot be reversed by either MgATP or EGTA. These results have significant implications regarding the role of the Na(+)/Ca(2+) exchanger in response to pathological conditions leading to tissue ischemia-reperfusion and anoxia/reoxygenation; they concur with a marked reduction in ATP concentration, an increase in oxidant production, and a rise in intracellular Ca(2+) concentration that seems to be the main factor responsible for cell damage.

  14. REMOVAL OF CESIUM FROM SAVANNAH RIVER SITE WASTE WITH SPHERICAL RESORCINOL FORMALDEHYDE ION EXCHANGE RESIN EXPERIMENTAL TESTS

    SciTech Connect

    Duignan, M.; Nash, C.

    2010-03-31

    A principal goal at the Savannah River Site (SRS) is to safely dispose of the large volume of liquid nuclear waste held in many storage tanks. In-tank ion exchange (IX) columns are being considered for cesium removal. The spherical form of resorcinol formaldehyde ion exchange resin (sRF) is being evaluated for decontamination of dissolved saltcake waste at SRS, which is generally lower in potassium and organic components than Hanford waste. The sRF performance with SRS waste was evaluated in two phases: resin batch contacts and IX column testing with both simulated and actual dissolved salt waste. The tests, equipment, and results are discussed.

  15. General expressions for R1ρ relaxation for N-site chemical exchange and the special case of linear chains

    NASA Astrophysics Data System (ADS)

    Koss, Hans; Rance, Mark; Palmer, Arthur G.

    2017-01-01

    Exploration of dynamic processes in proteins and nucleic acids by spin-locking NMR experiments has been facilitated by the development of theoretical expressions for the R1ρ relaxation rate constant covering a variety of kinetic situations. Herein, we present a generalized approximation to the chemical exchange, Rex, component of R1ρ for arbitrary kinetic schemes, assuming the presence of a dominant major site population, derived from the negative reciprocal trace of the inverse Bloch-McConnell evolution matrix. This approximation is equivalent to first-order truncation of the characteristic polynomial derived from the Bloch-McConnell evolution matrix. For three- and four-site chemical exchange, the first-order approximations are sufficient to distinguish different kinetic schemes. We also introduce an approach to calculate R1ρ for linear N-site schemes, using the matrix determinant lemma to reduce the corresponding 3N × 3N Bloch-McConnell evolution matrix to a 3 × 3 matrix. The first- and second order-expansions of the determinant of this 3 × 3 matrix are closely related to previously derived equations for two-site exchange. The second-order approximations for linear N-site schemes can be used to obtain more accurate approximations for non-linear N-site schemes, such as triangular three-site or star four-site topologies. The expressions presented herein provide powerful means for the estimation of Rex contributions for both low (CEST-limit) and high (R1ρ-limit) radiofrequency field strengths, provided that the population of one state is dominant. The general nature of the new expressions allows for consideration of complex kinetic situations in the analysis of NMR spin relaxation data.

  16. Trafficking of Na+/Ca2+ Exchanger to the Site of Persistent Inflammation in Nociceptive Afferents

    PubMed Central

    Scheff, Nicole N.

    2015-01-01

    Persistent inflammation results in an increase in the amplitude and duration of depolarization-evoked Ca2+ transients in putative nociceptive afferents. Previous data indicated that these changes were the result of neither increased neuronal excitability nor an increase in the amplitude of depolarization. Subsequent data also ruled out an increase in voltage-gated Ca2+ currents and recruitment of Ca2+-induced Ca2+ release. Parametric studies indicated that the inflammation-induced increase in the duration of the evoked Ca2+ transient required a relatively large and long-lasting increase in the concentration of intracellular Ca2+ implicating the Na+/Ca2+ exchanger (NCX), a major Ca2+ extrusion mechanism activated with high intracellular Ca2+ loads. The contribution of NCX to the inflammation-induced increase in the evoked Ca2+ transient in rat sensory neurons was tested using fura-2 AM imaging and electrophysiological recordings. Changes in NCX expression and protein were assessed with real-time PCR and Western blot analysis, respectively. An inflammation-induced decrease in NCX activity was observed in a subpopulation of putative nociceptive neurons innervating the site of inflammation. The time course of the decrease in NCX activity paralleled that of the inflammation-induced changes in nociceptive behavior. The change in NCX3 in the cell body was associated with a decrease in NCX3 protein in the ganglia, an increase in the peripheral nerve (sciatic) yet no change in the central root. This single response to inflammation is associated with changes in at least three different segments of the primary afferent, all of which are likely to contribute to the dynamic response to persistent inflammation. PMID:26041911

  17. Trafficking of Na+/Ca2+ exchanger to the site of persistent inflammation in nociceptive afferents.

    PubMed

    Scheff, Nicole N; Gold, Michael S

    2015-06-03

    Persistent inflammation results in an increase in the amplitude and duration of depolarization-evoked Ca(2+) transients in putative nociceptive afferents. Previous data indicated that these changes were the result of neither increased neuronal excitability nor an increase in the amplitude of depolarization. Subsequent data also ruled out an increase in voltage-gated Ca(2+) currents and recruitment of Ca(2+)-induced Ca(2+) release. Parametric studies indicated that the inflammation-induced increase in the duration of the evoked Ca(2+) transient required a relatively large and long-lasting increase in the concentration of intracellular Ca(2+) implicating the Na(+)/Ca(2+) exchanger (NCX), a major Ca(2+) extrusion mechanism activated with high intracellular Ca(2+) loads. The contribution of NCX to the inflammation-induced increase in the evoked Ca(2+) transient in rat sensory neurons was tested using fura-2 AM imaging and electrophysiological recordings. Changes in NCX expression and protein were assessed with real-time PCR and Western blot analysis, respectively. An inflammation-induced decrease in NCX activity was observed in a subpopulation of putative nociceptive neurons innervating the site of inflammation. The time course of the decrease in NCX activity paralleled that of the inflammation-induced changes in nociceptive behavior. The change in NCX3 in the cell body was associated with a decrease in NCX3 protein in the ganglia, an increase in the peripheral nerve (sciatic) yet no change in the central root. This single response to inflammation is associated with changes in at least three different segments of the primary afferent, all of which are likely to contribute to the dynamic response to persistent inflammation.

  18. Deterministic hydrodynamics: Taking blood apart

    PubMed Central

    Davis, John A.; Inglis, David W.; Morton, Keith J.; Lawrence, David A.; Huang, Lotien R.; Chou, Stephen Y.; Sturm, James C.; Austin, Robert H.

    2006-01-01

    We show the fractionation of whole blood components and isolation of blood plasma with no dilution by using a continuous-flow deterministic array that separates blood components by their hydrodynamic size, independent of their mass. We use the technology we developed of deterministic arrays which separate white blood cells, red blood cells, and platelets from blood plasma at flow velocities of 1,000 μm/sec and volume rates up to 1 μl/min. We verified by flow cytometry that an array using focused injection removed 100% of the lymphocytes and monocytes from the main red blood cell and platelet stream. Using a second design, we demonstrated the separation of blood plasma from the blood cells (white, red, and platelets) with virtually no dilution of the plasma and no cellular contamination of the plasma. PMID:17001005

  19. Analysis of FBC deterministic chaos

    SciTech Connect

    Daw, C.S.

    1996-06-01

    It has recently been discovered that the performance of a number of fossil energy conversion devices such as fluidized beds, pulsed combustors, steady combustors, and internal combustion engines are affected by deterministic chaos. It is now recognized that understanding and controlling the chaotic elements of these devices can lead to significantly improved energy efficiency and reduced emissions. Application of these techniques to key fossil energy processes are expected to provide important competitive advantages for U.S. industry.

  20. Deterministic Laws and Epistemic Chances

    NASA Astrophysics Data System (ADS)

    Myrvold, Wayne C.

    In this paper, a concept of chance is introduced that is compatible with deterministic physical laws, yet does justice to our use of chance-talk in connection with typical games of chance, and in classical statistical mechanics. We take our cue from what Poincaré called "the method of arbitrary functions," and elaborate upon a suggestion made by Savage in connection with this. Comparison is made between this notion of chance, and David Lewis' conception.

  1. Characteristics of injection drug users who utilize tuberculosis services at sites of the Baltimore city needle exchange program.

    PubMed

    Riley, Elise D; Vlahov, David; Huettner, Steven; Beilenson, Peter; Bonds, Margaret; Chaisson, Richard E

    2002-03-01

    To describe characteristics of needle-exchange program (NEP) participants who utilized tuberculosis services from an NEP site. Between June 1998 and May 1999, tuberculosis services were advertised and offered to Baltimore, Maryland, NEP participants. Demographic and tuberculosis-specific data were collected on participants who self-selected into services. Analyses were based on being tuberculin skin tested, returning for a skin test reading, and testing tuberculin positive. Among 691 contacts with NEP participants, this service performed 296 tuberculin tests, with an 84% return rate for skin test reading. Participants were 32% female, 87% African American, and 11% employed. Higher frequency of NEP visits was positively associated with requesting tuberculosis services and returning for skin test reading. Among those who returned for skin test reading, longer smoking duration and problems getting food in the past year due to a lack of money were associated with a positive test. Utilization of a tuberculosis service and high return rates can be achieved among NEP participants without formal recruitment strategies. Frequent exchange appears to facilitate return visits for NEP-based tuberculosis screening, which may imply accessibility for frequent exchangers. More extensive health services at sites of the Baltimore NEP appear to be warranted, with particular attention paid to effectiveness for frequent exchangers.

  2. Cation exchange reactions controlling desorption of 90Sr 2+ from coarse-grained contaminated sediments at the Hanford site, Washington

    NASA Astrophysics Data System (ADS)

    McKinley, J. P.; Zachara, J. M.; Smith, S. C.; Liu, C.

    2007-01-01

    Nuclear waste that bore 90Sr 2+ was accidentally leaked into the vadose zone at the Hanford site, and was immobilized at relatively shallow depths in sediments containing little apparent clay or silt-sized components. Sr 2+, 90Sr 2+, Mg 2+, and Ca 2+ was desorbed and total inorganic carbon concentration was monitored during the equilibration of this sediment with varying concentrations of Na +, Ca 2+. A cation exchange model previously developed for similar sediments was applied to these results as a predictor of final solution compositions. The model included binary exchange reactions for the four operant cations and an equilibrium dissolution/precipitation reaction for calcite. The model successfully predicted the desorption data. The contaminated sediment was also examined using digital autoradiography, a sensitive tool for imaging the distribution of radioactivity. The exchanger phase containing 90Sr was found to consist of smectite formed from weathering of mesostasis glass in basaltic lithic fragments. These clasts are a significant component of Hanford formation sands. The relatively small but significant cation exchange capacity of these sediments was thus a consequence of reaction with physically sequestered clays in sediment that contained essentially no fine-grained material. The nature of this exchange component explained the relatively slow (scale of days) evolution of desorption solutions. The experimental and model results indicated that there is little risk of migration of 90Sr 2+ to the water table.

  3. Cation Exchange Reactions Controlling Desorption of 90Sr2+ From Coarse-Grained Contaminated Sediments at the Hanford Site, Washington

    NASA Astrophysics Data System (ADS)

    McKinley, J. P.; Zachara, J. M.; Smith, S. C.; Liu, C.

    2005-12-01

    Nuclear waste that bore 90Sr2+ was accidentally leaked into the vadose zone at the Hanford site, and was immobilized at relatively shallow depths in sediments containing little apparent clay or silt-sized components. We desorbed Sr2+, 90Sr2+, Mg2+, and Ca2+, and monitored total inorganic carbon concentration during the equilibration of this sediment with varying concentrations of Na+ and Ca2+. A cation exchange model previously developed for similar sediments was applied to these results as a predictor of final solution compositions. The model included binary exchange reactions for the four operant cations and an equilibrium dissolution/precipitation reaction for calcite. The model produced an excellent prediction for desorption data. We also examined the contaminated sediment using digital autoradiography, a sensitive tool for imaging the distribution of radioactivity. The exchanger phase containing 90Sr was found to consist of smectite formed from weathering of mesostasis glass in basaltic lithic fragments. These clasts are a significant component of Hanford formation sands. The relatively small but significant cation exchange capacity of these sediments was thus a consequence of reaction with physically sequestered clays in a sediment that contained essentially no fine-grained material. The nature of this exchange component explains the relatively slow (scale of days) evolution of desorption solutions. The experimental and model results indicate that there is little risk of migration of 90Sr2+ to the water table.

  4. Some Properties of Site-Specific and General Recombination Inferred from Int-Initiated Exchanges by Bacteriophage Lambda

    PubMed Central

    Echols, Harrison; Green, Linda

    1979-01-01

    The site-specific recombination at the attachment site for prophage integration might proceed by two general mechanisms: (1) a concerted reaction without a free intermediate; (2) a sequential mechanism differing from typical general recombination only by an inability of the cross-strand intermediate structure to migrate into the region of nonhomology adjacent to the attachment site. The blocked-migration, sequential model predicts frequent genetic exchange in the int xis region near the attachment site if Int-mediated recombination occurs between λ phage with homologous attachment sites. We find such additional int xis exchanges, but only at very low frequency (1% of the Int-mediated recombination). We conclude that the resolution point only rarely moves away from the initial crossover point specified by Int and, therefore, that the Int reaction is mainly concerted. We interpret the rare additional int xis recombinants as indicative of occasional branch migration from an initial Int-mediated crossover. The frequency of the rare int xis recombinants is not simply related to distance from the attachment site to an int- or xis- mutation, suggesting that the heteroduplex distance is often at least a gene in length. The frequency of these additional exchanges is also not a strong function of distance between two mutations; from this we conclude that the resolution to the observed recombinant structure in the sequential cases occurs often by mismatch repair. We have found no marked effect of mutations in the bacterial recA, recB, recC, recF, or recL genes on the frequency of the int xis recombinants; this may indicate that none of these genes specifies a product uniquely required for resolution of a cross-strand intermediate. PMID:161242

  5. High ionic strength narrows the population of sites participating in protein ion-exchange adsorption: a single-molecule study.

    PubMed

    Kisley, Lydia; Chen, Jixin; Mansur, Andrea P; Dominguez-Medina, Sergio; Kulla, Eliona; Kang, Marci K; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Dhamane, Sagar; Willson, Richard C; Landes, Christy F

    2014-05-23

    The retention and elution of proteins in ion-exchange chromatography is routinely controlled by adjusting the mobile phase salt concentration. It has repeatedly been observed, as judged from adsorption isotherms, that the apparent heterogeneity of adsorption is lower at more-eluting, higher ionic strength. Here, we present an investigation into the mechanism of this phenomenon using a single-molecule, super-resolution imaging technique called motion-blur Points Accumulation for Imaging in Nanoscale Topography (mbPAINT). We observed that the number of functional adsorption sites was smaller at high ionic strength and that these sites had reduced desorption kinetic heterogeneity, and thus narrower predicted elution profiles, for the anion-exchange adsorption of α-lactalbumin on an agarose-supported, clustered-charge ligand stationary phase. Explanations for the narrowing of the functional population such as inter-protein interactions and protein or support structural changes were investigated through kinetic analysis, circular dichroism spectroscopy, and microscopy of agarose microbeads, respectively. The results suggest the reduction of heterogeneity is due to both electrostatic screening between the protein and ligand and tuning the steric availability within the agarose support. Overall, we have shown that single molecule spectroscopy can aid in understanding the influence of ionic strength on the population of functional adsorbent sites participating in the ion-exchange chromatographic separation of proteins.

  6. High ionic strength narrows the population of sites participating in protein ion-exchange adsorption: A single-molecule study

    PubMed Central

    Kisley, Lydia; Chen, Jixin; Mansur, Andrea P.; Dominguez-Medina, Sergio; Kulla, Eliona; Kang, Marci; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Dhamane, Sagar; Willson, Richard C.; Landes, Christy F.

    2014-01-01

    The retention and elution of proteins in ion-exchange chromatography is routinely controlled by adjusting the mobile phase salt concentration. It has repeatedly been observed, as judged from adsorption isotherms, that the apparent heterogeneity of adsorption is lower at more-eluting, higher ionic strength. Here, we present an investigation into the mechanism of this phenomenon using a single-molecule, super-resolution imaging technique called motion-blur Points Accumulation for Imaging in Nanoscale Topography (mbPAINT). We observed that the number of functional adsorption sites was smaller at high ionic strength and that these sites had reduced desorption kinetic heterogeneity, and thus narrower predicted elution profiles, for the anion-exchange adsorption of α-lactalbumin on an agarose-supported, clustered-charge ligand stationary phase. Explanations for the narrowing of the functional population such as inter-protein interactions and protein or support structural changes were investigated through kinetic analysis, circular dichroism spectroscopy, and microscopy of agarose microbeads, respectively. The results suggest the reduction of heterogeneity is due to both electrostatic screening between the protein and ligand and tuning the steric availability within the agarose support. Overall, we have shown that single molecule spectroscopy can aid in understanding the influence of ionic strength on the population of functional adsorbent sites participating in the ion-exchange chromatographic separation of proteins. PMID:24751557

  7. Molecularly imprinted protein recognition cavities bearing exchangeable binding sites for postimprinting site-directed introduction of reporter molecules for readout of binding events.

    PubMed

    Sunayama, Hirobumi; Takeuchi, Toshifumi

    2014-11-26

    Protein-imprinted cavities bearing exchangeable domains to be used for postimprinting fluorophore introduction to transform binding events into fluorescence changes were constructed in molecularly imprinted polymer (MIPs) matrixes prepared on glass substrates. Copolymerization was performed with acrylamide, N,N'-methylenebisaclylamide, and a newly designed functional group-exchangeable monomer, ({[2-(2-methacrylamido)ethyldithio]ethylcarbamoyl}methoxy)acetic acid (MDTA), in the presence of a model basic protein, lysozyme (Lyso); MDTA can interact with Lyso and assemble close to Lyso in the resulting polymer. After removal of Lyso, followed by a disulfide reduction to cleave the (ethylcarbamoylmethoxy)acetic acid moiety from the MDTA residues, the exposed thiol groups within the imprinted cavities were modified by aminoethylpyridyldisulfide to be transformed into aminoethyl groups that function as active sites for amine-reactive fluorophores. Fluorescein isothiocyanate (FITC) was then coupled with the aminoethyl groups, yielding site specifically FITC-modified signaling imprinted cavities for Lyso binding. Because the in-cavity fluorescent labeling was achieved via a disulfide linkage, it was easy to remove, exchange, and/or replace amine-reactive fluorophores. This facilitated the screening of fluorophores to select the highest readout for binding events, replace fluorophores when photobleaching occurred, and introduce other functions. The proposed molecular imprinting process, combined with postimprinting modifications, is expected to provide an affordable route to develop multifunctional MIPs for specific detection of protein binding events.

  8. Site-Specific Hydrogen Isotope Composition of Propane: Mass spectrometric methods, equilibrium temperature dependence, and kinetics of exchange

    NASA Astrophysics Data System (ADS)

    Xie, H.; Ponton, C.; Kitchen, N.; Lloyd, M. K.; Lawson, M.; Formolo, M. J.; Eiler, J. M.

    2016-12-01

    Intramolecular isotope ordering can constrain temperatures of synthesis, mechanisms of formation, and/or source substrates of organic compounds. Here we explore site-specific hydrogen isotope variations of propane. Statistical thermodynamic models predict that at equilibrium methylene hydrogen (-CH2-) in propane will be 10's of per mil higher in D/H ratio than methyl hydrogen (-CH3) at geologically relevant temperatures, and that this difference is highly temperature dependent ( 0.5-1 ‰/°C). Chemical-kinetic controls on site-specific D/H in propane could constrain the mechanisms, conditions and extents of propane synthesis or destruction. We have developed a method for measuring the difference in D/H ratio between methylene and methyl hydrogen in propane by gas source mass spectrometry. The data were measured using the Thermo Fisher Double Focusing Sector high resolution mass spectrometer (DFS), and involve comparison of the D/H ratios of molecular ion (C3H8+) and the ethyl fragmental ion (C2H5+). We demonstrate the accuracy and precision of this method through analysis of D-labeled and independently analyzed propanes. In the exchange experiments, propane was heated (100-200 oC) either alone or in the presence of D-enriched water (δD=1,1419 ‰ SMOW), with or without one of several potentially catalytic substrates for hours to weeks. Propane was found to exchange hydrogen with water vigorously at 200 °C in the presence of metal catalysts. In the presence of Ni catalyst, methylene hydrogen exchanges 2.5 times faster than methyl hydrogen. Hydrogen exchange in the presence of Pd catalyst is more effective and can equilibrate hydrogen isotope distribution on propane on the order of 7 days. Isotopic exchange in the presence of natural materials have also been tested, but is only measurable in the methylene group at 200 °C. High catalytic activity of Pd permits attainment of a bracketed, time-invariant equilibrium state that we use to calibrate the site

  9. A classification system of intraocular lens dislocation sites under operating microscopy, and the surgical techniques and outcomes of exchange surgery.

    PubMed

    Hayashi, Ken; Ogawa, Soichiro; Manabe, Shin-Ichi; Hirata, Akira; Yoshimura, Koichi

    2016-03-01

    The aim of this study was to examine the recent status of intraocular lens (IOL) dislocation according to a classification system based on vertical dislocation position, as well as the surgical techniques and outcomes of IOL exchange surgery. The medical records of 230 eyes from 214 consecutive patients who experienced IOL dislocation and underwent exchange surgery between 2006 and 2014 were reviewed. Vertical dislocation sites observed preoperatively under operating microscopy were examined, along with the surgical techniques and outcomes of IOL exchange. Dislocation sites included (1) the anterior chamber (12.2 %), (2) pseudophakodonesis (19.1 %), (3) the anterior vitreous cavity (47.4 %), (4) trap door-like dislocation (dangling in the peripheral vitreous cavity; 16.1 %), and (5) the retinal surface (5.2 %). The IOL retained in the anterior segment was moved onto the iris by pulling it up through the limbal side ports with an anterior vitrectomy (67.8 %), or by pushing it up from the pars plana with an anterior vitrectomy (26.5 %), while the IOL dropped on the retina was lifting it up from the retina after pars plana vitrectomy (5.7 %). Mean uncorrected and distance-corrected visual acuity significantly improved postoperatively (p < 0.0001). Major complications included a marked elevation in intraocular pressure (7.8 %), pupillary capture (6.5 %), and vitreous hemorrhage (2.6 %). Based on the classification system, approximately 95 % of dislocated IOLs were retained in the anterior segment, and these IOLs were exchanged using an anterior approach through limbal incisions with an anterior vitrectomy. Visual acuity improved significantly, and serious complications were uncommon, probably because the IOL exchange techniques were standardized and simplified without pars plana vitrectomy.

  10. Deterministic chaos in entangled eigenstates

    NASA Astrophysics Data System (ADS)

    Schlegel, K. G.; Förster, S.

    2008-05-01

    We investigate the problem of deterministic chaos in connection with entangled states using the Bohmian formulation of quantum mechanics. We show for a two particle system in a harmonic oscillator potential, that in a case of entanglement and three energy eigen-values the maximum Lyapunov-parameters of a representative ensemble of trajectories for large times develops to a narrow positive distribution, which indicates nearly complete chaotic dynamics. We also present in short results from two time-dependent systems, the anisotropic and the Rabi oscillator.

  11. Deterministic scale-free networks

    NASA Astrophysics Data System (ADS)

    Barabási, Albert-László; Ravasz, Erzsébet; Vicsek, Tamás

    2001-10-01

    Scale-free networks are abundant in nature and society, describing such diverse systems as the world wide web, the web of human sexual contacts, or the chemical network of a cell. All models used to generate a scale-free topology are stochastic, that is they create networks in which the nodes appear to be randomly connected to each other. Here we propose a simple model that generates scale-free networks in a deterministic fashion. We solve exactly the model, showing that the tail of the degree distribution follows a power law.

  12. The noncompetitive inhibitor WW781 senses changes in erythrocyte anion exchanger (AE1) transport site conformation and substrate binding.

    PubMed

    Knauf, P A; Raha, N M; Spinelli, L J

    2000-02-01

    WW781 binds reversibly to red blood cell AE1 and inhibits anion exchange by a two-step mechanism, in which an initial complex (complex 1) is rapidly formed, and then there is a slower equilibration to form a second complex (complex 2) with a lower free energy. According to the ping-pong kinetic model, AE1 can exist in forms with the anion transport site facing either inward or outward, and the transition between these forms is greatly facilitated by binding of a transportable substrate such as Cl(-). Both the rapid initial binding of WW781 and the formation of complex 2 are strongly affected by the conformation of AE1, such that the forms with the transport site facing outward have higher affinity than those with the transport site facing inward. In addition, binding of Cl(-) seems to raise the free energy of complex 2 relative to complex 1, thereby reducing the equilibrium binding affinity, but Cl(-) does not compete directly with WW781. The WW781 binding site, therefore, reveals a part of the AE1 structure that is sensitive to Cl(-) binding and to transport site orientation, in addition to the disulfonic stilbene binding site. The relationship of the inhibitory potency of WW781 under different conditions to the affinities for the different forms of AE1 provides information on the possible asymmetric distributions of unloaded and Cl(-)-loaded transport sites that are consistent with the ping-pong model, and supports the conclusion from flux and nuclear magnetic resonance data that both the unloaded and Cl(-)-loaded sites are very asymmetrically distributed, with far more sites facing the cytoplasm than the outside medium. This asymmetry, together with the ability of WW781 to recruit toward the forms with outward-facing sites, implies that WW781 may be useful for changing the conformation of AE1 in studies of structure-function relationships.

  13. An exact solution for R2,eff in CPMG experiments in the case of two site chemical exchange

    PubMed Central

    Baldwin, Andrew J.

    2014-01-01

    The Carr–Purcell–Meiboom–Gill (CPMG) experiment is widely used to quantitatively analyse the effects of chemical exchange on NMR spectra. In a CPMG experiment, the effective transverse relaxation rate, R2,eff, is typically measured as a function of the pulse frequency, νCPMG. Here, an exact expression for how R2,eff varies with νCPMG is derived for the commonly encountered scenario of two-site chemical exchange of in-phase magnetisation. This result, summarised in Appendix A, generalises a frequently used equation derived by Carver and Richards, published in 1972. The expression enables more rapid analysis of CPMG data by both speeding up calculation of R2,eff over numerical methods by a factor of ca. 130, and yields exact derivatives for use in data analysis. Moreover, the derivation provides insight into the physical principles behind the experiment. PMID:24852115

  14. Probabilistic versus deterministic hazard assessment in liquefaction susceptible zones

    NASA Astrophysics Data System (ADS)

    Daminelli, Rosastella; Gerosa, Daniele; Marcellini, Alberto; Tento, Alberto

    2015-04-01

    Probabilistic seismic hazard assessment (PSHA), usually adopted in the framework of seismic codes redaction, is based on Poissonian description of the temporal occurrence, negative exponential distribution of magnitude and attenuation relationship with log-normal distribution of PGA or response spectrum. The main positive aspect of this approach stems into the fact that is presently a standard for the majority of countries, but there are weak points in particular regarding the physical description of the earthquake phenomenon. Factors like site effects, source characteristics like duration of the strong motion and directivity that could significantly influence the expected motion at the site are not taken into account by PSHA. Deterministic models can better evaluate the ground motion at a site from a physical point of view, but its prediction reliability depends on the degree of knowledge of the source, wave propagation and soil parameters. We compare these two approaches in selected sites affected by the May 2012 Emilia-Romagna and Lombardia earthquake, that caused widespread liquefaction phenomena unusually for magnitude less than 6. We focus on sites liquefiable because of their soil mechanical parameters and water table level. Our analysis shows that the choice between deterministic and probabilistic hazard analysis is strongly dependent on site conditions. The looser the soil and the higher the liquefaction potential, the more suitable is the deterministic approach. Source characteristics, in particular the duration of strong ground motion, have long since recognized as relevant to induce liquefaction; unfortunately a quantitative prediction of these parameters appears very unlikely, dramatically reducing the possibility of their adoption in hazard assessment. Last but not least, the economic factors are relevant in the choice of the approach. The case history of 2012 Emilia-Romagna and Lombardia earthquake, with an officially estimated cost of 6 billions

  15. Methane to acetic acid over Cu-exchanged zeolites: mechanistic insights from a site-specific carbonylation reaction.

    PubMed

    Narsimhan, Karthik; Michaelis, Vladimir K; Mathies, Guinevere; Gunther, William R; Griffin, Robert G; Román-Leshkov, Yuriy

    2015-02-11

    The selective low temperature oxidation of methane is an attractive yet challenging pathway to convert abundant natural gas into value added chemicals. Copper-exchanged ZSM-5 and mordenite (MOR) zeolites have received attention due to their ability to oxidize methane into methanol using molecular oxygen. In this work, the conversion of methane into acetic acid is demonstrated using Cu-MOR by coupling oxidation with carbonylation reactions. The carbonylation reaction, known to occur predominantly in the 8-membered ring (8MR) pockets of MOR, is used as a site-specific probe to gain insight into important mechanistic differences existing between Cu-MOR and Cu-ZSM-5 during methane oxidation. For the tandem reaction sequence, Cu-MOR generated drastically higher amounts of acetic acid when compared to Cu-ZSM-5 (22 vs 4 μmol/g). Preferential titration with sodium showed a direct correlation between the number of acid sites in the 8MR pockets in MOR and acetic acid yield, indicating that methoxy species present in the MOR side pockets undergo carbonylation. Coupled spectroscopic and reactivity measurements were used to identify the genesis of the oxidation sites and to validate the migration of methoxy species from the oxidation site to the carbonylation site. Our results indicate that the Cu(II)-O-Cu(II) sites previously associated with methane oxidation in both Cu-MOR and Cu-ZSM-5 are oxidation active but carbonylation inactive. In turn, combined UV-vis and EPR spectroscopic studies showed that a novel Cu(2+) site is formed at Cu/Al <0.2 in MOR. These sites oxidize methane and promote the migration of the product to a Brønsted acid site in the 8MR to undergo carbonylation.

  16. Oxygen exchange on platinum electrodes in zirconia cells; Location of electrochemical reaction sites

    SciTech Connect

    Robertson, N.L. . Almaden Research Center); Michaels, J.N. . Dept. of Chemical Engineering)

    1990-01-01

    Oxygen exchange kinetics on porous platinum electrodes in a zirconia electrochemical cell were measured at 600{degrees}--800{degrees}C in 10{sup {minus} 5}-0.21 atmospheres oxygen. Steady-state polarization and potential-step chronoamperometric experiments were performed. Steady-state current-voltage characteristics exhibited near-exponential behavior at intermediate potentials and approached anodic and cathodic limiting currents at higher overpotentials. At and below 600{degrees}C, the initial decay of the current following anodic and cathodic potential steps was inversely proportional to the square root of time. This Cottrell-type behavior indicates that the charge-transfer step in the mechanism of oxygen exchange occurs at the three-phase boundary where the electrode, electrolyte, and gas-phase intersect.

  17. Acid precipitation effects on soil pH and base saturation of exchange sites

    Treesearch

    W. W. McFee; J. M. Kelly; R. H. Beck

    1976-01-01

    The typical values and probable ranges of acid-precipitation are evaluated in terms of their theoretical effects on pH and cation exchange equilibrium of soils characteristic of the humid temperature region. The extent of probable change in soil pH and the time required to cause such a change are calculated for a range of common soils. Hydrogen ion input by acid...

  18. Air-water exchange of PAHs and OPAHs at a superfund mega-site.

    PubMed

    Tidwell, Lane G; Blair Paulik, L; Anderson, Kim A

    2017-12-15

    Chemical fate is a concern at environmentally contaminated sites, but characterizing that fate can be difficult. Identifying and quantifying the movement of chemicals at the air-water interface are important steps in characterizing chemical fate. Superfund sites are often suspected sources of air pollution due to legacy sediment and water contamination. A quantitative assessment of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAH (OPAHs) diffusive flux in a river system that contains a Superfund Mega-site, and passes through residential, urban and agricultural land, has not been reported before. Here, passive sampling devices (PSDs) were used to measure 60 polycyclic aromatic hydrocarbons (PAHs) and 22 oxygenated PAH (OPAHs) in air and water. From these concentrations the magnitude and direction of contaminant flux between these two compartments was calculated. The magnitude of PAH flux was greater at sites near or within the Superfund Mega-site than outside of the Superfund Mega-site. The largest net individual PAH deposition at a single site was naphthalene at a rate of -14,200 (±5780) (ng/m(2))/day. The estimated one-year total flux of phenanthrene was -7.9×10(5) (ng/m(2))/year. Human health risk associated with inhalation of vapor phase PAHs and dermal exposure to PAHs in water were assessed by calculating benzo[a]pyrene equivalent concentrations. Excess lifetime cancer risk estimates show potential increased risk associated with exposure to PAHs at sites within and in close proximity to the Superfund Mega-site. Specifically, estimated excess lifetime cancer risk associated with dermal exposure and inhalation of PAHs was above 1 in 1 million within the Superfund Mega-site. The predominant depositional flux profile observed in this study suggests that the river water in this Superfund site is largely a sink for airborne PAHs, rather than a source. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Survivability of Deterministic Dynamical Systems

    PubMed Central

    Hellmann, Frank; Schultz, Paul; Grabow, Carsten; Heitzig, Jobst; Kurths, Jürgen

    2016-01-01

    The notion of a part of phase space containing desired (or allowed) states of a dynamical system is important in a wide range of complex systems research. It has been called the safe operating space, the viability kernel or the sunny region. In this paper we define the notion of survivability: Given a random initial condition, what is the likelihood that the transient behaviour of a deterministic system does not leave a region of desirable states. We demonstrate the utility of this novel stability measure by considering models from climate science, neuronal networks and power grids. We also show that a semi-analytic lower bound for the survivability of linear systems allows a numerically very efficient survivability analysis in realistic models of power grids. Our numerical and semi-analytic work underlines that the type of stability measured by survivability is not captured by common asymptotic stability measures. PMID:27405955

  20. Deterministic Bragg Coherent Diffraction Imaging.

    PubMed

    Pavlov, Konstantin M; Punegov, Vasily I; Morgan, Kaye S; Schmalz, Gerd; Paganin, David M

    2017-04-25

    A deterministic variant of Bragg Coherent Diffraction Imaging is introduced in its kinematical approximation, for X-ray scattering from an imperfect crystal whose imperfections span no more than half of the volume of the crystal. This approach provides a unique analytical reconstruction of the object's structure factor and displacement fields from the 3D diffracted intensity distribution centred around any particular reciprocal lattice vector. The simple closed-form reconstruction algorithm, which requires only one multiplication and one Fourier transformation, is not restricted by assumptions of smallness of the displacement field. The algorithm performs well in simulations incorporating a variety of conditions, including both realistic levels of noise and departures from ideality in the reference (i.e. imperfection-free) part of the crystal.

  1. Cre/lox-Recombinase-Mediated Cassette Exchange for Reversible Site-Specific Genomic Targeting of the Disease Vector, Aedes aegypti.

    PubMed

    Häcker, Irina; Harrell Ii, Robert A; Eichner, Gerrit; Pilitt, Kristina L; O'Brochta, David A; Handler, Alfred M; Schetelig, Marc F

    2017-03-07

    Site-specific genome modification (SSM) is an important tool for mosquito functional genomics and comparative gene expression studies, which contribute to a better understanding of mosquito biology and are thus a key to finding new strategies to eliminate vector-borne diseases. Moreover, it allows for the creation of advanced transgenic strains for vector control programs. SSM circumvents the drawbacks of transposon-mediated transgenesis, where random transgene integration into the host genome results in insertional mutagenesis and variable position effects. We applied the Cre/lox recombinase-mediated cassette exchange (RMCE) system to Aedes aegypti, the vector of dengue, chikungunya, and Zika viruses. In this context we created four target site lines for RMCE and evaluated their fitness costs. Cre-RMCE is functional in a two-step mechanism and with good efficiency in Ae. aegypti. The advantages of Cre-RMCE over existing site-specific modification systems for Ae. aegypti, phiC31-RMCE and CRISPR, originate in the preservation of the recombination sites, which 1) allows successive modifications and rapid expansion or adaptation of existing systems by repeated targeting of the same site; and 2) provides reversibility, thus allowing the excision of undesired sequences. Thereby, Cre-RMCE complements existing genomic modification tools, adding flexibility and versatility to vector genome targeting.

  2. Cre/lox-Recombinase-Mediated Cassette Exchange for Reversible Site-Specific Genomic Targeting of the Disease Vector, Aedes aegypti

    PubMed Central

    Häcker, Irina; Harrell II, Robert A.; Eichner, Gerrit; Pilitt, Kristina L.; O’Brochta, David A.; Handler, Alfred M.; Schetelig, Marc F.

    2017-01-01

    Site-specific genome modification (SSM) is an important tool for mosquito functional genomics and comparative gene expression studies, which contribute to a better understanding of mosquito biology and are thus a key to finding new strategies to eliminate vector-borne diseases. Moreover, it allows for the creation of advanced transgenic strains for vector control programs. SSM circumvents the drawbacks of transposon-mediated transgenesis, where random transgene integration into the host genome results in insertional mutagenesis and variable position effects. We applied the Cre/lox recombinase-mediated cassette exchange (RMCE) system to Aedes aegypti, the vector of dengue, chikungunya, and Zika viruses. In this context we created four target site lines for RMCE and evaluated their fitness costs. Cre-RMCE is functional in a two-step mechanism and with good efficiency in Ae. aegypti. The advantages of Cre-RMCE over existing site-specific modification systems for Ae. aegypti, phiC31-RMCE and CRISPR, originate in the preservation of the recombination sites, which 1) allows successive modifications and rapid expansion or adaptation of existing systems by repeated targeting of the same site; and 2) provides reversibility, thus allowing the excision of undesired sequences. Thereby, Cre-RMCE complements existing genomic modification tools, adding flexibility and versatility to vector genome targeting. PMID:28266580

  3. The next step towards making use meaningful: electronic information exchange and care coordination across clinicians and delivery sites.

    PubMed

    Graetz, Ilana; Reed, Mary; Shortell, Stephen M; Rundall, Thomas G; Bellows, Jim; Hsu, John

    2014-12-01

    Care for patients with chronic conditions often requires coordination between multiple physicians and delivery sites. Electronic Health Record (EHR) use could improve care quality and efficiency in part by facilitating care coordination. We examined the association between EHR use and clinician perceptions of care coordination for patients transferred across clinicians and delivery sites. Repeated surveys of primary care clinicians during the staggered implementation of an outpatient EHR (2005-2008), followed by an integrated inpatient EHR (2006-2010). We measured the association between EHR use stages (no use, outpatient EHR only, and integrated inpatient-outpatient EHR) and care coordination using logistic regression, adjusting for clinician characteristics, study year, and medical center. Adult primary care clinicians in a large Integrated Delivery System. Three measures of clinician-reported care coordination for patient care transferred across clinicians (eg, from specialist to primary care team) and across delivery sites (eg, from the hospital to outpatient care). Outpatient EHR use was associated with higher reports of access to complete and timely clinical information and higher agreement on clinician roles and responsibilities for patients transferred across clinicians, but not for patients transferred across delivery sites. Use of the integrated outpatient-inpatient EHR was associated with higher reports of access to timely and complete clinical information, clinician agreement on the patient's treatment plan for patients transferred across delivery sites, and with all coordination measures for patients transferred across clinicians. Use of an integrated EHR with health information exchange across delivery settings improved patient care coordination.

  4. Predicting Seasonal Evapotranspiration and Net Ecosystem Exchange: Comparative Hydrology across FLUXNET Sites (Invited)

    NASA Astrophysics Data System (ADS)

    Thompson, S. E.; Neal, A. L.; Harman, C. J.; Guan, K.; Troch, P. A.; Sivapalan, M.; Brooks, P. D.

    2009-12-01

    Evapotranspiration (ET) is a key component of the annual water balance, and its prediction is at the heart of much ecohydrological modeling. Classically, hydrologists have predicted ET by first determining a maximum limit to ET as a function of radiation, temperature, leaf area and relative humidity. This maximum value is then censored as a function of soil moisture availability, to account for water limitation and its effects on the conductance of the plant hydraulic apparatus. We evaluated this classical paradigm across twelve FLUXNET sites through a combination of data analysis and the construction of simple models. The classical predictive approach implemented via a Penman-Monteith equation reproduced daily, seasonal and annual ET fluxes well for arid, shallow rooted systems. At sites with deep-rooted vegetation, however, this approach overestimated the effects of water limitation. Analysis of latent heat fluxes and soil moisture indicated that plants were accessing groundwater sources that were effectively decoupled from the precipitation measured at the tower. Accounting for the additional water sources improved predictions of ET, except for a seasonal lag that was observed at several temperate sites. Comparison of ET, radiation and leaf area index suggested that phenological factors controlled ET at these sites. Parameterizing these effects with a simple growing season index further improved predictions of ET at these sites. Future work includes examination of the variation in physical and biological controls on NEE across the same sites.

  5. Binding site and elution behavior of DNA and other large biomolecules in monolithic anion-exchange chromatography.

    PubMed

    Yamamoto, Shuichi; Yoshimoto, Noriko; Tarmann, Christina; Jungbauer, Alois

    2009-03-27

    Our previous study has shown that there is a good correlation between the number of charges of DNA (from trimer to 50-mer) and the number of binding sites B in electrostatic interaction chromatography (ion-exchange chromatography, IEC). It was also found that high salt (NaCl) concentration is needed to elute large DNAs (>0.6M). In this paper we further performed experiments with large DNAs (up to 95-mer polyT and polyA) and charged liposome particles of different sizes (ca. 30, 50 and 100 nm) with a monolithic anion-exchange disk in order to understand the binding and elution mechanism of very large charged biomolecules or particles. The peak salt (NaCl) concentration increased with increasing DNA length. However, above 50-mer DNAs the value did not increase significantly with DNA length (ca. 0.65-0.70 M). For liposome particles of different sizes the peak salt concentration (ca. 0.62 M) was similar and slightly lower than that for large DNAs (ca. 0.65-0.70 M). The binding site values (ca. 25-30) are smaller than those for large DNAs. When arginine was used as a mobile phase modulator, the elution position of polyA and polyT became very close whereas in NaCl gradient elution polyT appeared after polyA eluted. This was mainly due to suppression of hydrophobic interaction by arginine.

  6. Deterministic weak localization in periodic structures.

    PubMed

    Tian, C; Larkin, A

    2005-12-09

    In some perfect periodic structures classical motion exhibits deterministic diffusion. For such systems we present the weak localization theory. As a manifestation for the velocity autocorrelation function a universal power law decay is predicted to appear at four Ehrenfest times. This deterministic weak localization is robust against weak quenched disorders, which may be confirmed by coherent backscattering measurements of periodic photonic crystals.

  7. Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling.

    PubMed

    Khakinejad, Mahdiar; Kondalaji, Samaneh Ghassabi; Donohoe, Gregory C; Valentine, Stephen J

    2016-03-01

    Ion mobility spectrometry (IMS) coupled with gas-phase hydrogen deuterium exchange (HDX)-mass spectrometry (MS) and molecular dynamic simulations (MDS) has been used for structural investigation of anions produced by electrospraying a sample containing a synthetic peptide having the sequence KKDDDDDIIKIIK. In these experiments the potential of the analytical method for locating charge sites on ions as well as for utilizing collision-induced dissociation (CID) to reveal the degree of deuterium uptake within specific amino acid residues has been assessed. For diffuse (i.e., more elongated) [M - 2H](2-) ions, decreased deuterium content along with MDS data suggest that the D4 and D6 residues are charge sites, whereas for the more diffuse [M - 3H](3-) ions, the data suggest that the D4, D7, and the C-terminus are deprotonated. Fragmentation of mobility-selected, diffuse [M - 2H](2-) ions to determine deuterium uptake at individual amino acid residues reveals a degree of deuterium retention at incorporation sites. Although the diffuse [M - 3H](3-) ions may show more HD scrambling, it is not possible to clearly distinguish HD scrambling from the expected deuterium uptake based on a hydrogen accessibility model. The capability of the IMS-HDX-MS/MS approach to provide relevant details about ion structure is discussed. Additionally, the ability to extend the approach for locating protonation sites on positively-charged ions is presented.

  8. Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling

    NASA Astrophysics Data System (ADS)

    Khakinejad, Mahdiar; Ghassabi Kondalaji, Samaneh; Donohoe, Gregory C.; Valentine, Stephen J.

    2016-03-01

    Ion mobility spectrometry (IMS) coupled with gas-phase hydrogen deuterium exchange (HDX)-mass spectrometry (MS) and molecular dynamic simulations (MDS) has been used for structural investigation of anions produced by electrospraying a sample containing a synthetic peptide having the sequence KKDDDDDIIKIIK. In these experiments the potential of the analytical method for locating charge sites on ions as well as for utilizing collision-induced dissociation (CID) to reveal the degree of deuterium uptake within specific amino acid residues has been assessed. For diffuse (i.e., more elongated) [M - 2H]2- ions, decreased deuterium content along with MDS data suggest that the D4 and D6 residues are charge sites, whereas for the more diffuse [M - 3H]3- ions, the data suggest that the D4, D7, and the C-terminus are deprotonated. Fragmentation of mobility-selected, diffuse [M - 2H]2- ions to determine deuterium uptake at individual amino acid residues reveals a degree of deuterium retention at incorporation sites. Although the diffuse [M - 3H]3- ions may show more HD scrambling, it is not possible to clearly distinguish HD scrambling from the expected deuterium uptake based on a hydrogen accessibility model. The capability of the IMS-HDX-MS/MS approach to provide relevant details about ion structure is discussed. Additionally, the ability to extend the approach for locating protonation sites on positively-charged ions is presented.

  9. Momentum, water vapor, and carbon dioxide exchange at a centrally located prairie site during FIFE

    NASA Technical Reports Server (NTRS)

    Verma, Shashi B.; Kim, Joon; Clement, Robert J.

    1992-01-01

    Eddy correlation measurements were taken of momentum, water vapor, sensible heat, and CO2 at a centrally located plateau site in the FIFE study area from May to October 1987. Approximately 82 percent of the vegetation at the site was composed of several C4 grass species, with the remainder being C3 grasses, forbs, wedges, and woody plants. Precipitation was about normal during the study period, except for a three week dry period in late July to early August that caused moisture stress conditions.

  10. Effect of fire on soil-atmosphere exchange of methane and carbon dioxide in Canadian boreal forest sites

    NASA Astrophysics Data System (ADS)

    Burke, Roger A.; Zepp, Richard G.; Tarr, Matthew A.; Miller, William L.; Stocks, Brian J.

    1997-12-01

    During the spring and summer of 1994 we monitored soil-atmosphere exchanges of methane and carbon dioxide at upland sites in the Canadian boreal forest near the northern study area (NSA) of the Boreal Ecosystem-Atmosphere Study (BOREAS). The effects of fire on methane and carbon dioxide exchange in black spruce stands developed on clay soils were evaluated by measuring fluxes with dark chambers in unburned stands and stands burned in 1994, 1992, and 1987. Similar measurements were made in jack pine stands developed on sandy soils, one unburned and the other burned in 1989. All of the sites were net sinks of atmospheric methane with median fluxes ranging from -0.3 to -1.4 mg CH4-C m-2 d-1. Median fluxes of carbon dioxide from the forest floor to the atmosphere ranged between 1 and 2 g C m-2 d-1. Both ecosystem characteristics (e.g., soil and vegetation type) and burning history (time since burn and fire intensity) appear to have some effect on atmospheric methane consumption and carbon dioxide emission by these forest soils. In general, the jack pine sites were stronger methane sinks and had lower carbon dioxide emissions than the black spruce sites. After a few years of recovery, the burned sites tended to be slightly stronger methane sinks than unburned controls. Our results suggest that soil CO2 effluxes from upland black spruce stands may not be immediately impacted by fire, possibly maintained at preburn levels by microbial decomposition of labile compounds released as a result of the fire. By 2 years postfire there appears to be a significant reduction in soil CO2 flux, due to the loss of tree root and moss respiration and possibly to the depletion of fire-related labile compounds. The observed recovery of soil respiration rates to preburn levels by 7 years postburn is probably due to the respiration of regrowing vegetation and the combined effects of elevated soil temperatures (about 4° to 5°C warmer than unburned sites) and improved litter quality on soil

  11. Monitoring of lateral hyporheic exchange fluxes and hyporheic travel times at the newly established Steinlach Test Site, Germany

    NASA Astrophysics Data System (ADS)

    Osenbrück, K.; Lemke, D.; Schwientek, M.; Callisto Alvarez, M. C.; Wöhling, Th.; Cirpka, O. A.

    2012-04-01

    Hyporheic exchange is believed to significantly contribute to the retention and degradation of pollutants during downstream transport in surface waters. A better understanding of the relevant hydraulic drivers of stream water infiltration into the hyporheic zone in conjunction with the associated biogeochemical processes is needed in order to quantify the self-cleaning potential of rivers and to predict water quality changes. Key parameters include the spatial and temporal variation of stream water infiltration (i.e. hyporheic exchange) and the distribution of hyporheic travel times. In this study we present the setup, performance and first results of a multi-disciplinary hyporheic monitoring program at the newly established Steinlach Test Site (STS) near Tübingen in Southern Germany. The STS covers an area of about 0.6 ha and consists of a river loop located within a sub-catchment of the Neckar river. The main objective is the quantification and interrelation of hyporheic processes including hyporheic exchange, travel-time distributions, microbial community dynamics and biochemical pollutant turnover at the groundwater-surface water interface. Here we will focus on the extent and time scale of hyporheic exchange fluxes at the STS derived from time series of temperature (T), specific electrical conductivity (EC), and δ18O of water. The STS is equipped with more than 30 piezometers, most of them containing automatic water level, T and EC probes. Additional water samples for major ions, stable isotopes and other water quality parameters were taken in the course of flood events in summer 2011. The sand and gravel aquifer in the subsurface of the STS is characterised by a complex geometry with heterogeneous hydraulic conductivity. Low residence times in the southern part are confirmed by a small to negligible response in EC and T at the respective piezometers compared to the large variation of EC in the stream water. Using deconvolution techniques, a mean travel time

  12. Theoretical nuclear magnetic resonance-lineshape study of a two-site chemical exchange model of sodium ions (I = 3/2) in an intracellular environment.

    PubMed Central

    Berggren, E; Westlund, P O

    1990-01-01

    We present a theoretical calculation of the lineshape function based on the solution of the semiclassical Liouville equation, of a two-site chemical exchange model of biological relevance. The bound site is allowed to be in the slow region regime that is the inverse quadrupole interaction of one bound site is in the same range as the reorientational correlation time. We compare different chemical exchange models, and several different physical situations are investigated. The variation of the width at half height (WHH) and the relative intensity (l/lo) is shown to be important, experimentally accessible quantities that are useful in order to discriminate between different model systems. PMID:2383629

  13. Deterministic quantum teleportation with atoms.

    PubMed

    Riebe, M; Häffner, H; Roos, C F; Hänsel, W; Benhelm, J; Lancaster, G P T; Körber, T W; Becher, C; Schmidt-Kaler, F; James, D F V; Blatt, R

    2004-06-17

    Teleportation of a quantum state encompasses the complete transfer of information from one particle to another. The complete specification of the quantum state of a system generally requires an infinite amount of information, even for simple two-level systems (qubits). Moreover, the principles of quantum mechanics dictate that any measurement on a system immediately alters its state, while yielding at most one bit of information. The transfer of a state from one system to another (by performing measurements on the first and operations on the second) might therefore appear impossible. However, it has been shown that the entangling properties of quantum mechanics, in combination with classical communication, allow quantum-state teleportation to be performed. Teleportation using pairs of entangled photons has been demonstrated, but such techniques are probabilistic, requiring post-selection of measured photons. Here, we report deterministic quantum-state teleportation between a pair of trapped calcium ions. Following closely the original proposal, we create a highly entangled pair of ions and perform a complete Bell-state measurement involving one ion from this pair and a third source ion. State reconstruction conditioned on this measurement is then performed on the other half of the entangled pair. The measured fidelity is 75%, demonstrating unequivocally the quantum nature of the process.

  14. Deterministic patterns in cell motility

    NASA Astrophysics Data System (ADS)

    Lavi, Ido; Piel, Matthieu; Lennon-Duménil, Ana-Maria; Voituriez, Raphaël; Gov, Nir S.

    2016-12-01

    Cell migration paths are generally described as random walks, associated with both intrinsic and extrinsic noise. However, complex cell locomotion is not merely related to such fluctuations, but is often determined by the underlying machinery. Cell motility is driven mechanically by actin and myosin, two molecular components that generate contractile forces. Other cell functions make use of the same components and, therefore, will compete with the migratory apparatus. Here, we propose a physical model of such a competitive system, namely dendritic cells whose antigen capture function and migratory ability are coupled by myosin II. The model predicts that this coupling gives rise to a dynamic instability, whereby cells switch from persistent migration to unidirectional self-oscillation, through a Hopf bifurcation. Cells can then switch to periodic polarity reversals through a homoclinic bifurcation. These predicted dynamic regimes are characterized by robust features that we identify through in vitro trajectories of dendritic cells over long timescales and distances. We expect that competition for limited resources in other migrating cell types can lead to similar deterministic migration modes.

  15. Thermodynamic binding and site occupancy in the light of the Schellman exchange concept.

    PubMed

    Timasheff, Serge N

    2002-12-10

    An analysis of Schellman's treatment of preferential interactions is presented, as viewed by a laboratory practitioner of the art. Starting with an intuitive description of what binding is in terms of the distribution of molecules of water and of a weakly interacting ligand (co-solvent), Schellman proceeded to a rigorous thermodynamic definition in which he showed that classical, dialysis equilibrium, binding is a purely thermodynamic quantity. Putting water and the co-solvent on an equivalent footing, he showed that the classical binding treatment is inadequate for weakly interacting systems, in which the replacement of water by ligand and exclusion of co-solvent are symmetrical concepts. Analyzing specifically the simple model of a single independent site, Schellman demonstrated how a positive binding constant can give rise to a measured negative binding stoichiometry. He showed that the origin of the complicated binding isotherms is the non-idealities of water and co-solvent, and went further to analyze critically the effect of site heterogeneity on the ligand concentration dependencies of site occupancy, preferential binding and the thermodynamic quantities, enthalpy, entropy and Gibbs free energy. This exposition of the Schellman treatment is accompanied by illustrations drawn from the experimental results obtained in this author's laboratory.

  16. Compilation of DNA strand exchange sites for non-homologous recombination in somatic cells.

    PubMed Central

    Konopka, A K

    1988-01-01

    DNA sequences of 496 somatic cell illegitimate crossing over regions were compiled and analyzed. Sites for non-homologous recombination on linear DNAs transfected into mammalian cells (Transfected Linear DNAs; TLD) were analyzed separately from the remaining illegitimate recombination regions (IRR). Trinucleotides that are preferentially cleaved by rat liver topoisomerase I in vitro (CAT, CTY, GTY, RAT where R = purine, Y = pyrimidine) were present in the 10 base pair (bp) vicinity of the cross-over sites in 92% of IRR and 93% of TLD. Multiple repeats of these trinucleotides have been observed in 39% of IRR and 38% of TLD. Runs of five or more contiguous purines (or pyrimidines on the complementary strand) were found in 26% of IRR and 14% of TLD. Adenine-Thymine rich regions of five or more bases were found in 14% of IRR and 21% of TLD. Alternating purine-pyrimidine tracks longer than four nucleotides in length were found in 11% of IRR, though only in 4% of TLD. I discuss the possible biological significance of these findings and present an appendix containing the sequences in the 10 bp vicinity of the non-homologous recombination sites analyzed. PMID:2832826

  17. Probing the rate-limiting step for intramolecular transfer of a transcription factor between specific sites on the same DNA molecule by (15)Nz-exchange NMR spectroscopy.

    PubMed

    Ryu, Kyoung-Seok; Tugarinov, Vitali; Clore, G Marius

    2014-10-15

    The kinetics of translocation of the homeodomain transcription factor HoxD9 between specific sites of the same or opposite polarities on the same DNA molecule have been studied by (15)Nz-exchange NMR spectroscopy. We show that exchange occurs by two facilitated diffusion mechanisms: a second-order intermolecular exchange reaction between specific sites located on different DNA molecules without the protein dissociating into free solution that predominates at high concentrations of free DNA, and a first-order intramolecular process involving direct transfer between specific sites located on the same DNA molecule. Control experiments using a mixture of two DNA molecules, each possessing only a single specific site, indicate that transfer between specific sites by full dissociation of HoxD9 into solution followed by reassociation is too slow to measure by z-exchange spectroscopy. Intramolecular transfer with comparable rate constants occurs between sites of the same and opposing polarity, indicating that both rotation-coupled sliding and hopping/flipping (analogous to geminate recombination) occur. The half-life for intramolecular transfer (0.5-1 s) is many orders of magnitude larger than the calculated transfer time (1-100 μs) by sliding, leading us to conclude that the intramolecular transfer rates measured by z-exchange spectroscopy represent the rate-limiting step for a one-base-pair shift from the specific site to the immediately adjacent nonspecific site. At zero concentration of added salt, the intramolecular transfer rate constants between sites of opposing polarity are smaller than those between sites of the same polarity, suggesting that hopping/flipping may become rate-limiting at very low salt concentrations.

  18. Framework Cationization by Preemptive Coordination of Open Metal Sites for Anion-Exchange Encapsulation of Nucleotides and Coenzymes.

    PubMed

    Zhao, Xiang; Mao, Chengyu; Luong, Karen Tu; Lin, Qipu; Zhai, Quan-Guo; Feng, Pingyun; Bu, Xianhui

    2016-02-18

    Cationic frameworks can selectively trap anions through ion exchange, and have applications in ion chromatography and drug delivery. However, cationic frameworks are much rarer than anionic or neutral ones. Herein, we propose a concept, preemptive coordination (PC), for targeting positively charged metal-organic frameworks (P-MOFs). PC refers to proactive blocking of metal coordination sites to preclude their occupation by neutralizing ligands such as OH(-) . We use 20 MOFs to show that this PC concept is an effective approach for developing P-MOFs whose high stability, porosity, and anion-exchange capability allow immobilization of anionic nucleotides and coenzymes, in addition to charge- and size-selective capture or separation of organic dyes. The CO2 and C2 H2 uptake capacity of 117.9 cm(3)  g(-1) and 148.5 cm(3)  g(-1) , respectively, at 273 K and 1 atm, is exceptionally high among cationic framework materials.

  19. On the Question of Site-Selective Ligand Exchange in Carboxylate-Substituted Metal Oxo Clusters

    PubMed Central

    Kreutzer, Johannes; Czakler, Matthias; Puchberger, Michael; Pittenauer, Ernst; Schubert, Ulrich

    2015-01-01

    Reaction of [Ti4Zr4O6(OBu)4(OMc)16] (OMc = methacrylate) with acetylacetone (acacH) resulted in dissection of the cluster and formation of [Ti(OBu)2(acac)2] and the smaller cluster [Ti2Zr4O4(OMc)16]. In contrast, the same reaction with [Zr6O4(OH)4(OOCR)12]2·6RCOOH (R = Et, CH2CH=CH2) led to site-selective substitution of two carboxylate ligands and formation of isostructural [Zr6O4(OH)4(OOCR)12–x(acac)x]2·6RCOOH (x ≤ 1). PMID:26300687

  20. Deterministic Quantum Key Distribution Using Two Non-orthogonal Entangled States

    NASA Astrophysics Data System (ADS)

    Guo, Ying; Zeng, Gui-Hua

    2007-03-01

    A deterministic quantum key distribution scheme using two non-orthogonal entangled states is proposed. In the proposed scheme, communicators share key information by exchanging one travelling photon with two random and secret polarization angles. The security of the distributed key is guaranteed by three checking phases in three-way channel and the communicators' secret polarization angles.

  1. Connecting deterministic and stochastic metapopulation models.

    PubMed

    Barbour, A D; McVinish, R; Pollett, P K

    2015-12-01

    In this paper, we study the relationship between certain stochastic and deterministic versions of Hanski's incidence function model and the spatially realistic Levins model. We show that the stochastic version can be well approximated in a certain sense by the deterministic version when the number of habitat patches is large, provided that the presence or absence of individuals in a given patch is influenced by a large number of other patches. Explicit bounds on the deviation between the stochastic and deterministic models are given.

  2. Universality classes for deterministic surface growth

    NASA Technical Reports Server (NTRS)

    Krug, J.; Spohn, H.

    1988-01-01

    A scaling theory for the generalized deterministic Kardar-Parisi-Zhang (1986) equation with beta greater than 1, is developed to study the growth of a surface through deterministic local rules. A one-dimensional surface model corresponding to beta = 1 is presented and solved exactly. The model can be studied as a limiting case of ballistic deposition, or as the deterministic limit of the Eden (1961) model. The scaling exponents, the correlation functions, and the skewness of the surface are determined. The results are compared with those of Burgers' (1974) equation for the case of beta = 2.

  3. Process for carbonaceous material conversion and recovery of alkali metal catalyst constituents held by ion exchange sites in conversion residue

    DOEpatents

    Sharp, David W.

    1980-01-01

    In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered for the particles by contacting or washing them with an aqueous solution containing calcium or magnesium ions in an alkali metal recovery zone at a low temperature, preferably below about 249.degree. F. During the washing or leaching process, the calcium or magnesium ions displace alkali metal ions held by ion exchange sites in the particles thereby liberating the ions and producing an aqueous effluent containing alkali metal constituents. The aqueous effluent from the alkali metal recovery zone is then recycled to the conversion process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst.

  4. Two-site fluctuations and multipolar intersite exchange interactions in strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Pourovskii, L. V.

    2016-09-01

    An approach is proposed for evaluating dipolar and multipolar intersite interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic approximation for the local self-energy. Starting from the local-moment paramagnetic state described by DMFT, we derive intersite interactions by considering the response of the DMFT grand potential to small fluctuations of atomic configurations on two neighboring sites. The present method is validated by applying it to one-band and two-band eg Hubbard models on the simple-cubic 3 d lattice. It is also applied to study the spin-orbital order in the parent cubic structure of ternary chromium fluoride KCrF3. We obtain the onset of a G-type antiferro-orbital order at a significantly lower temperature compared to that in real distorted KCrF3. In contrast, its layered A-type antiferromagnetic order and Néel temperature are rather well reproduced. The calculated full Kugel-Khomskii Hamiltonian contains spin-orbital coupling terms inducing a misalignment in the antiferro-orbital order upon the onset of antiferromagnetism.

  5. SirX: a selective inversion recovery experiment on X-nuclei for the determination of the exchange rate of slow chemical exchanges between two sites.

    PubMed

    Xie, Xiulan; Bönisch, Friedrich

    2015-10-01

    Nuclear magnetic resonance spectroscopy has proven to be powerful for the study of dynamic processes. A new pulse sequence, SirX, is designed to provide boundary conditions that simplify the McConnell equations. Both an initial rate approximation and a whole curve fitting to the time course of magnetization can be used to calculate the exchange rate. These methods were used to study the exchange kinetics of N,N-dimethylacetamide. As compared with the well-established exchange spectroscopy suitable to studies of slow exchange, SirX has the advantage of being less time consuming and capable of providing more reliable kinetic data. Furthermore, by setting the observation on X-nuclei with larger chemical shift dispersion as compared with an observation on (1)H resonance, SirX extends the upper limit of a reliable determination of exchange rates.

  6. Seasonal exchange of carbon dioxide between the atmosphere and the terrestrial biosphere: extrapolation from site-specific models to regional models

    SciTech Connect

    King, A.W.

    1986-01-01

    Ecological models of the seasonal exchange of carbon dioxide between the atmosphere and the terrestrial biosphere are needed in the study of changes in atmospheric CO/sub 2/ concentration. In response to this need, a set of site-specific models of seasonal terrestrial carbon dynamics was assembled from open-literature sources. The collection was chosen as a base for the development of biome-level models for each of the earth's principal terrestrial biomes or vegetation complexes. Two methods of extrapolation were tested. The first approach was a simple extrapolation that assumed relative within-biome homogeneity, and generated CO/sub 2/ source functions that differed dramatically from published estimates of CO/sub 2/ exchange. The differences were so great that the simple extrapolation was rejected as a means of incorporating site-specific models in a global CO/sub 2/ source function. The second extrapolation explicitly incorporated within-biome variability in the abiotic variables that drive seasonal biosphere-atmosphere CO/sub 2/ exchange. Simulated site-specific CO/sub 2/ dynamics were treated as a function of multiple random variables. The predicated regional CO/sub 2/ exchange is the computed expected value of simulated site-specific exchanges for that region times the area of the region. The test involved the regional extrapolation of tundra and a coniferous forest carbon exchange model. Comparisons between the CO/sub 2/ exchange estimated by extrapolation and published estimates of regional exchange for the latitude belt support the appropriateness of extrapolation by expected value.

  7. Site-Directed Chemical Mutations on Abzymes: Large Rate Accelerations in the Catalysis by Exchanging the Functionalized Small Nonprotein Components.

    PubMed

    Ishikawa, Fumihiro; Shirahashi, Masato; Hayakawa, Hiroshi; Yamaguchi, Asako; Hirokawa, Takatsugu; Tsumuraya, Takeshi; Fujii, Ikuo

    2016-10-21

    Taking advantage of antibody molecules to generate tailor-made binding sites, we propose a new class of protein modifications, termed as "site-directed chemical mutation." In this modification, chemically synthesized catalytic components with a variety of steric and electronic properties can be noncovalently and nongenetically incorporated into specific sites in antibody molecules to induce enzymatic activity. Two catalytic antibodies, 25E2 and 27C1, possess antigen-combining sites which bind catalytic components and act as apoproteins in catalytic reactions. By simply exchanging these components, antibodies 25E2 and 27C1 can catalyze a wide range of chemical transformations including acyl-transfer, β-elimination, aldol, and decarboxylation reactions. Although both antibodies were generated with the same hapten, phosphonate diester 1, they showed different catalytic activity. When phenylacetic acid 4 was used as the catalytic component, 25E2 efficiently catalyzed the elimination reaction of β-haloketone 2, whereas 27C1 showed no catalytic activity. In this work, we focused on the β-elimination reaction and examined the site-directed chemical mutation of 27C1 to induce activity and elucidate the catalytic mechanism. Molecular models showed that the cationic guanidyl group of Arg(H52) in 27C1 makes a hydrogen bond with the P═O oxygen in the hapten. This suggested that during β-elimination, Arg(H52) of 27C1 would form a salt bridge with the carboxylate of 4, thus destroying reactivity. Therefore, we utilized site-directed chemical mutation to change the charge properties of the catalytic components. When amine components 7-10 were used, 27C1 efficiently catalyzed the β-elimination reaction. It is noteworthy that chemical mutation with secondary amine 8 provided extremely high activity, with a rate acceleration [(kcat/Km 2)/kuncat] of 1 000 000. This catalytic activity likely arises from the proximity effect, plus general-base catalysis associated the

  8. Monitoring Ras Interactions with the Nucleotide Exchange Factor Son of Sevenless (Sos) Using Site-specific NMR Reporter Signals and Intrinsic Fluorescence*

    PubMed Central

    Vo, Uybach; Vajpai, Navratna; Flavell, Liz; Bobby, Romel; Breeze, Alexander L.; Embrey, Kevin J.; Golovanov, Alexander P.

    2016-01-01

    The activity of Ras is controlled by the interconversion between GTP- and GDP-bound forms partly regulated by the binding of the guanine nucleotide exchange factor Son of Sevenless (Sos). The details of Sos binding, leading to nucleotide exchange and subsequent dissociation of the complex, are not completely understood. Here, we used uniformly 15N-labeled Ras as well as [13C]methyl-Met,Ile-labeled Sos for observing site-specific details of Ras-Sos interactions in solution. Binding of various forms of Ras (loaded with GDP and mimics of GTP or nucleotide-free) at the allosteric and catalytic sites of Sos was comprehensively characterized by monitoring signal perturbations in the NMR spectra. The overall affinity of binding between these protein variants as well as their selected functional mutants was also investigated using intrinsic fluorescence. The data support a positive feedback activation of Sos by Ras·GTP with Ras·GTP binding as a substrate for the catalytic site of activated Sos more weakly than Ras·GDP, suggesting that Sos should actively promote unidirectional GDP → GTP exchange on Ras in preference of passive homonucleotide exchange. Ras·GDP weakly binds to the catalytic but not to the allosteric site of Sos. This confirms that Ras·GDP cannot properly activate Sos at the allosteric site. The novel site-specific assay described may be useful for design of drugs aimed at perturbing Ras-Sos interactions. PMID:26565026

  9. Deterministic noiseless amplification of coherent states

    NASA Astrophysics Data System (ADS)

    Hu, Meng-Jun; Zhang, Yong-Sheng

    2015-08-01

    A universal deterministic noiseless quantum amplifier has been shown to be impossible. However, probabilistic noiseless amplification of a certain set of states is physically permissible. Regarding quantum state amplification as quantum state transformation, we show that deterministic noiseless amplification of coherent states chosen from a proper set is attainable. The relation between input coherent states and gain of amplification for deterministic noiseless amplification is thus derived. Furthermore, we extend our result to more general situation and show that deterministic noiseless amplification of Gaussian states is also possible. As an example of application, we find that our amplification model can obtain better performance in homodyne detection to measure the phase of state selected from a certain set. Besides, other possible applications are also discussed.

  10. Air-surface exchange of peroxyacetyl nitrate at a grassland site

    NASA Astrophysics Data System (ADS)

    Doskey, Paul V.; Kotamarthi, V. Rao; Fukui, Yoshiko; Cook, David R.; Breitbeil, Fred W.; Wesely, Marvin L.

    2004-05-01

    Direct measurements of the dry deposition velocity of peroxyacetyl nitrate (PAN) were made during the daytime between the months of July and October above a grassland surface in northern Illinois by a modified Bowen ratio technique. Differences in the air temperature, water vapor content, and PAN concentration were measured between the heights of 3.0 m and 0.92 m. Although the measurement uncertainties were large, the cumulative data indicate a slight downward flux of PAN, with an average and standard error of 0.13 ± 0.13 cm s-1 for the dry deposition velocity. Theoretical calculations showed that thermochemical decomposition of PAN on leaf and soil surfaces heated to temperatures above the ambient air levels would contribute less than 15% of the total PAN flux at the elevations of the PAN measurements. A theoretical evaluation of the transfer of PAN through leaf stomata and the plant cuticular membrane indicated that uptake of PAN by vegetation during the daytime is controlled by transfer through the leaf stomata rather than the cuticular membrane. The stomatal resistance for PAN is greater by a factor of 1.6 than the value for O3. The mesophyll resistance for O3 is also expected to be less than the value for PAN, because O3 has more reaction sites within plant cells and reacts faster than PAN with protein thiols of the cell membranes. Measurements from other studies indicate that the dry deposition velocity for PAN above a vegetated surface during the daytime is lower by a factor of 0.5-0.3 than for O3. Our measurements of the PAN deposition velocity agree with the results of previous studies and with theoretical calculations based on the physicochemical properties of PAN and the grassland surface. These measurements imply that removal of PAN from the daytime atmospheric boundary layer by thermochemical decomposition is more rapid than dry deposition to a grassland surface.

  11. Ligand binding and proton exchange dynamics in site-specific mutants of human myoglobin

    SciTech Connect

    Lambright, D.G.

    1992-01-01

    Site specific mutagenesis was used to make substitutions of four residues in the distal heme pocket of human myoglobin: Val68, His64, Lys45, and Asp60. Strongly diffracting crystals of the conservative mutation K45R in the met aquo form were grown in the trigonal space group P3[sub 2]21 and the X-ray crystal structure determined at 1.6 [angstrom] resolution. The overall structure is similar to that of sperm whale met aquo myoglobin. Several of the mutant proteins were characterized by 2-D NMR spectroscopy. The NMR data suggest the structural changes are localized to the region of the mutation. The dynamics of ligand binding to myoglobin mutants were studied by transient absorption spectroscopy following photolysis of the CO complexes. Transient absorption kinetics and spectra on the ns to ms timescale were measured in aqueous solution from 280 K to 310 K and in 75% glycerol: water from 250 K to 310 K. Two significant basis spectra were obtained from singular value decomposition of the matrix of time dependent spectra. The information was used to obtain approximations for the extent of ligand rebinding and the kinetics of conformational relaxation. Except for K45R, substitutions at Lys45 or Asp60 produce changes in the kinetics for ligand rebinding. Replacement of Lys45 with Arg increases the rate of ligand rebinding from the protein matrix by a factor of 2, but does not alter the rates for ligand escape or entry into the protein or the dynamics of the conformational relaxation. Substitutions at His64 and Val68 influence the kinetics of ligand rebinding and the dynamics of conformational relaxation. The results do not support the hypothesis that ligand migration between the heme pocket and solvent is determined solely by fluctuations of Arg45 and His64 between open and closed conformations of the heme pocket but can be rationalized if ligand diffusion through the protein matrix involves multiple competing pathways.

  12. Recent Achievements of the Neo-Deterministic Seismic Hazard Assessment in the CEI Region

    SciTech Connect

    Panza, G. F.; Kouteva, M.; Vaccari, F.; Peresan, A.; Romanelli, F.; Cioflan, C. O.; Radulian, M.; Marmureanu, G.; Paskaleva, I.; Gribovszki, K.; Varga, P.; Herak, M.; Zaichenco, A.; Zivcic, M.

    2008-07-08

    A review of the recent achievements of the innovative neo-deterministic approach for seismic hazard assessment through realistic earthquake scenarios has been performed. The procedure provides strong ground motion parameters for the purpose of earthquake engineering, based on the deterministic seismic wave propagation modelling at different scales--regional, national and metropolitan. The main advantage of this neo-deterministic procedure is the simultaneous treatment of the contribution of the earthquake source and seismic wave propagation media to the strong motion at the target site/region, as required by basic physical principles. The neo-deterministic seismic microzonation procedure has been successfully applied to numerous metropolitan areas all over the world in the framework of several international projects. In this study some examples focused on CEI region concerning both regional seismic hazard assessment and seismic microzonation of the selected metropolitan areas are shown.

  13. Electrostatic stabilization and general base catalysis in the active site of the human protein disulfide isomerase a domain monitored by hydrogen exchange.

    PubMed

    Hernández, Griselda; Anderson, Janet S; LeMaster, David M

    2008-03-25

    The nucleophilic Cys36 thiol of the human protein disulfide isomerase a domain is positioned over the N terminus of the alpha(2) helix. Amides in the active site exhibit diffusion-limited, hydroxide-catalyzed exchange, indicating that the local positive electrostatic potential decreases the pK value for peptide anion formation by at least 2 units so as to equal or exceed the acidity of water. In stark contrast to the pH dependence of exchange for simple peptides, the His38 amide in the reduced enzyme exhibits a maximum rate of exchange at pH 5 due to efficient general base catalysis by the neutral imidazole of its own side chain and suppression of its exchange by the ionization of the Cys36 thiol. Ionization of this thiol and deprotonation of the His38 side chain suppress the Cys39 amide hydroxide-catalyzed exchange by a million-fold. The electrostatic potential within the active site monitored by these exchange experiments provides a means of stabilizing the two distinct transition states that lead to substrate reduction and oxidation. Molecular modeling offers a role for the conserved Arg103 in coordinating the oxidative transition-state complex, thus providing further support for mechanisms of disulfide isomerization that utilize enzymatic catalysis at each step of the overall reaction.

  14. Spin Dimer Analysis for Antiferromagnetic Spin Exchange Interactions of Magnetic Solids with Several Unpaired Electrons per Spin Site: Trends in the Spin Exchange Parameters of the Compounds Consisting of MnF

    SciTech Connect

    Koo, H.-J.; Whangbo, M.-H.; Coste, S.; Jobic, S.

    2001-02-01

    For magnetic solids with several unpaired spins per spin site, the average spin orbital interaction energies < {Delta}e > and the average spin orbital interaction energy squares < ({Delta}e){sup 2} > were defined as a qualitative measure for the strengths of their antiferromagnetic spin exchange interactions. The trends in the antiferromagnetic spin exchange interactions of the magnetic solids containing MnF{sub 5} chains and CrX{sub 2} (X=O, S) layers were examined in terms of the < {Delta}e > and < ({Delta}e){sup 2} > values calculated for their spin dimers.

  15. Elucidation of the binding sites of sodium dodecyl sulfate to β-lactoglobulin using hydrogen/deuterium exchange mass spectrometry combined with docking simulation.

    PubMed

    Hu, Wenbing; Liu, Jianan; Luo, Qun; Han, Yumiao; Wu, Kui; Lv, Shuang; Xiong, Shaoxiang; Wang, Fuyi

    2011-05-30

    Hydrogen/deuterium exchange mass spectrometry (H/DX MS) has become a powerful tool to investigate protein-protein and protein-ligand interactions, but it is still challenging to localize the interaction regions/sites of ligands with pepsin-resistant proteins such as lipocalins. β-Lactoglobulin (BLG), a member of the lipocalin family, can bind a variety of small hydrophobic molecules including retinols, retinoic acids, and long linear fatty acids. However, whether the binding site of linear molecules locates in the external groove or internal cavity of BLG is controversial. In this study we used H/DX MS combined with docking simulation to localize the interaction sites of a tested ligand, sodium dodecyl sulfate (SDS), binding to BLG. H/DX MS results indicated that SDS can bind to both the external and the internal sites in BLG. However, neither of the sites is saturated with SDS, allowing a dynamic ligand exchange to occur between the sites at equilibrium state. Docking studies revealed that SDS forms H-bonds with Lys69 in the internal site and Lys138 and Lys141 in the external site in BLG via the sulfate group, and interacts with the hydrophobic residues valine, leucine, isoleucine and methionine within both of the sites via its hydrocarbon tail, stabilizing the BLG-SDS complex.

  16. Multiple Coordination Exchanges for Room-Temperature Activation of Open-Metal Sites in Metal-Organic Frameworks.

    PubMed

    Bae, Jinhee; Choi, Jae Sun; Hwang, Sunhyun; Yun, Won Seok; Song, Dahae; Lee, JaeDong; Jeong, Nak Cheon

    2017-07-26

    The activation of open coordination sites (OCSs) in metal-organic frameworks (MOFs), i.e., the removal of solvent molecules coordinated at the OCSs, is an essential step that is required prior to the use of MOFs in potential applications such as gas chemisorption, separation, and catalysis because OCSs often serve as key sites in these applications. Recently, we developed a "chemical activation" method involving dichloromethane (DCM) treatment at room temperature, which is considered to be a promising alternative to conventional thermal activation (TA), because it does not require the application of external thermal energy, thereby preserving the structural integrity of the MOFs. However, strongly coordinating solvents such as N,N-dimethylformamide (DMF), N,N-diethylformamide (DEF), and dimethyl sulfoxide (DMSO) are difficult to remove solely with the DCM treatment. In this report, we demonstrate a multiple coordination exchange (CE) process executed initially with acetonitrile (MeCN), methanol (MeOH), or ethanol (EtOH) and subsequently with DCM to achieve the complete activation of OCSs that possess strong extracoordination. Thus, this process can serve as an effective "chemical route" to activation at room temperature that does not require applying heat. To the best of our knowledge, no previous study has demonstrated the activation of OCSs using this multiple CE process, although MeOH and/or DCM has been popularly used in pretreatment steps prior to the TA process. Using MOF-74(Ni), we demonstrate that this multiple CE process can safely activate a thermally unstable MOF without inflicting structural damage. Furthermore, on the basis of in situ (1)H nuclear magnetic resonance ((1)H NMR) and Raman studies, we propose a plausible mechanism for the activation behavior of multiple CE.

  17. Highly Stereoselective Heterogeneous Diene Polymerization by Co-MFU-4l: A Single-Site Catalyst Prepared by Cation Exchange.

    PubMed

    Dubey, Romain J-C; Comito, Robert J; Wu, Zhenwei; Zhang, Guanghui; Rieth, Adam J; Hendon, Christopher H; Miller, Jeffrey T; Dincă, Mircea

    2017-09-13

    Molecular catalysts offer tremendous advantages for stereoselective polymerization because their activity and selectivity can be optimized and understood mechanistically using the familiar tools of organometallic chemistry. Yet, this exquisite control over selectivity comes at an operational price that is generally not justifiable for the large-scale manufacture of polyfolefins. In this report, we identify Co-MFU-4l, prepared by cation exchange in a metal-organic framework, as a solid catalyst for the polymerization of 1,3-butadiene with high stereoselectivity (>99% 1,4-cis). To our knowledge, this is the highest stereoselectivity achieved with a heterogeneous catalyst for this transformation. The polymer's low polydispersity (PDI ≈ 2) and the catalyst's ready recovery and low leaching indicate that our material is a structurally resilient single-site heterogeneous catalyst. Further characterization of Co-MFU-4l by X-ray absorption spectroscopy provided evidence for discrete, tris-pyrazolylborate-like coordination of Co(II). With this information, we identify a soluble cobalt complex that mimics the structure and reactivity of Co-MFU-4l, thus providing a well-defined platform for studying the catalytic mechanism in the solution phase. This work underscores the capacity for small molecule-like tunability and mechanistic tractability available to transition metal catalysis in metal-organic frameworks.

  18. Site-specific hydration dynamics of globular proteins and the role of constrained water in solvent exchange with amphiphilic cosolvents

    PubMed Central

    King, John T.; Arthur, Evan J.; Brooks, Charles L.; Kubarych, Kevin J.

    2012-01-01

    The thermodynamic driving forces for protein folding, association and function are often determined by protein-water interactions. With a novel covalently bound labeling approach, we have used sensitive vibrational probes, site-selectively conjugated to two lysozyme variants–in conjunction with ultrafast two-dimensional infrared (2D-IR) spectroscopy–to investigate directly the protein-water interface. By probing alternatively a topologically flat, rigid domain and a flexible domain, we find direct experimental evidence for spatially heterogeneous hydration dynamics. The hydration environment around globular proteins can vary from exhibiting bulk-like hydration dynamics to dynamically constrained water, which results from stifled hydrogen bond switching dynamics near extended hydrophobic surfaces. Furthermore, we leverage preferential solvation exchange to demonstrate that the liberation of dynamically constrained water is a sufficient driving force for protein-surface association reactions. These results provide an intuitive picture of the dynamic aspects of hydrophobic hydration of proteins, illustrating an essential function of water in biological processes. PMID:22530969

  19. Optimal partial deterministic quantum teleportation of qubits

    SciTech Connect

    Mista, Ladislav Jr.; Filip, Radim

    2005-02-01

    We propose a protocol implementing optimal partial deterministic quantum teleportation for qubits. This is a teleportation scheme realizing deterministically an optimal 1{yields}2 asymmetric universal cloning where one imperfect copy of the input state emerges at the sender's station while the other copy emerges at receiver's possibly distant station. The optimality means that the fidelities of the copies saturate the asymmetric cloning inequality. The performance of the protocol relies on the partial deterministic nondemolition Bell measurement that allows us to continuously control the flow of information among the outgoing qubits. We also demonstrate that the measurement is optimal two-qubit operation in the sense of the trade-off between the state disturbance and the information gain.

  20. Effect of Uncertainty on Deterministic Runway Scheduling

    NASA Technical Reports Server (NTRS)

    Gupta, Gautam; Malik, Waqar; Jung, Yoon C.

    2012-01-01

    Active runway scheduling involves scheduling departures for takeoffs and arrivals for runway crossing subject to numerous constraints. This paper evaluates the effect of uncertainty on a deterministic runway scheduler. The evaluation is done against a first-come- first-serve scheme. In particular, the sequence from a deterministic scheduler is frozen and the times adjusted to satisfy all separation criteria; this approach is tested against FCFS. The comparison is done for both system performance (throughput and system delay) and predictability, and varying levels of congestion are considered. The modeling of uncertainty is done in two ways: as equal uncertainty in availability at the runway as for all aircraft, and as increasing uncertainty for later aircraft. Results indicate that the deterministic approach consistently performs better than first-come-first-serve in both system performance and predictability.

  1. Improving ground-penetrating radar data in sedimentary rocks using deterministic deconvolution

    USGS Publications Warehouse

    Xia, J.; Franseen, E.K.; Miller, R.D.; Weis, T.V.; Byrnes, A.P.

    2003-01-01

    Resolution is key to confidently identifying unique geologic features using ground-penetrating radar (GPR) data. Source wavelet "ringing" (related to bandwidth) in a GPR section limits resolution because of wavelet interference, and can smear reflections in time and/or space. The resultant potential for misinterpretation limits the usefulness of GPR. Deconvolution offers the ability to compress the source wavelet and improve temporal resolution. Unlike statistical deconvolution, deterministic deconvolution is mathematically simple and stable while providing the highest possible resolution because it uses the source wavelet unique to the specific radar equipment. Source wavelets generated in, transmitted through and acquired from air allow successful application of deterministic approaches to wavelet suppression. We demonstrate the validity of using a source wavelet acquired in air as the operator for deterministic deconvolution in a field application using "400-MHz" antennas at a quarry site characterized by interbedded carbonates with shale partings. We collected GPR data on a bench adjacent to cleanly exposed quarry faces in which we placed conductive rods to provide conclusive groundtruth for this approach to deconvolution. The best deconvolution results, which are confirmed by the conductive rods for the 400-MHz antenna tests, were observed for wavelets acquired when the transmitter and receiver were separated by 0.3 m. Applying deterministic deconvolution to GPR data collected in sedimentary strata at our study site resulted in an improvement in resolution (50%) and improved spatial location (0.10-0.15 m) of geologic features compared to the same data processed without deterministic deconvolution. The effectiveness of deterministic deconvolution for increased resolution and spatial accuracy of specific geologic features is further demonstrated by comparing results of deconvolved data with nondeconvolved data acquired along a 30-m transect immediately adjacent

  2. Deterministic vs. probabilistic analyses to identify sensitive parameters in dose assessment using RESRAD.

    PubMed

    Kamboj, Sunita; Cheng, Jing-Jy; Yu, Charley

    2005-05-01

    The dose assessments for sites containing residual radioactivity usually involve the use of computer models that employ input parameters describing the physical conditions of the contaminated and surrounding media and the living and consumption patterns of the receptors in analyzing potential doses to the receptors. The precision of the dose results depends on the precision of the input parameter values. The identification of sensitive parameters that have great influence on the dose results would help set priorities in research and information gathering for parameter values so that a more precise dose assessment can be conducted. Two methods of identifying site-specific sensitive parameters, deterministic and probabilistic, were compared by applying them to the RESRAD computer code for analyzing radiation exposure for a residential farmer scenario. The deterministic method has difficulty in evaluating the effect of simultaneous changes in a large number of input parameters on the model output results. The probabilistic method easily identified the most sensitive parameters, but the sensitivity measure of other parameters was obscured. The choice of sensitivity analysis method would depend on the availability of site-specific data. Generally speaking, the deterministic method would identify the same set of sensitive parameters as the probabilistic method when 1) the baseline values used in the deterministic method were selected near the mean or median value of each parameter and 2) the selected range of parameter values used in the deterministic method was wide enough to cover the 5th to 95th percentile values from the distribution of that parameter.

  3. Thermally induced A'-A site exchange in novel layered perovskites Ag2[Ca1.5M3O10] (M = Nb, Ta).

    PubMed

    Bhuvanesh, Nattamai S P; Woodward, Patrick M

    2002-12-04

    We have synthesized and characterized new layered perovskites Ag2[A1.5M3O10] (A = Ca, M = Nb, Ta), from their lithium analogues, by soft-chemical ion exchange. These oxides show topotactic irreversible thermally induced A'-A site exchange, resulting in Ag1.1Ca0.9[Ca0.6Ag0.9M3O10], conferred from our high-temperature X-ray and ionic conductivity studies. The latter phases are the first compounds where Ag+ ions reside in both A' and A sites in layered perovskites. The absence of similar phase transition for A = Sr suggests that these transitions strongly depend on the size, charge, and the coordination preference of A' and A cations. This result provides a new synthetic tool for modifying the occupation of the 12-coordinate A site of layered perovskites using soft chemical routes.

  4. Turning Indium Oxide into a Superior Electrocatalyst: Deterministic Heteroatoms

    NASA Astrophysics Data System (ADS)

    Zhang, Bo; Zhang, Nan Nan; Chen, Jian Fu; Hou, Yu; Yang, Shuang; Guo, Jian Wei; Yang, Xiao Hua; Zhong, Ju Hua; Wang, Hai Feng; Hu, P.; Zhao, Hui Jun; Yang, Hua Gui

    2013-10-01

    The efficient electrocatalysts for many heterogeneous catalytic processes in energy conversion and storage systems must possess necessary surface active sites. Here we identify, from X-ray photoelectron spectroscopy and density functional theory calculations, that controlling charge density redistribution via the atomic-scale incorporation of heteroatoms is paramount to import surface active sites. We engineer the deterministic nitrogen atoms inserting the bulk material to preferentially expose active sites to turn the inactive material into a sufficient electrocatalyst. The excellent electrocatalytic activity of N-In2O3 nanocrystals leads to higher performance of dye-sensitized solar cells (DSCs) than the DSCs fabricated with Pt. The successful strategy provides the rational design of transforming abundant materials into high-efficient electrocatalysts. More importantly, the exciting discovery of turning the commonly used transparent conductive oxide (TCO) in DSCs into counter electrode material means that except for decreasing the cost, the device structure and processing techniques of DSCs can be simplified in future.

  5. Turning indium oxide into a superior electrocatalyst: deterministic heteroatoms.

    PubMed

    Zhang, Bo; Zhang, Nan Nan; Chen, Jian Fu; Hou, Yu; Yang, Shuang; Guo, Jian Wei; Yang, Xiao Hua; Zhong, Ju Hua; Wang, Hai Feng; Hu, P; Zhao, Hui Jun; Yang, Hua Gui

    2013-10-31

    The efficient electrocatalysts for many heterogeneous catalytic processes in energy conversion and storage systems must possess necessary surface active sites. Here we identify, from X-ray photoelectron spectroscopy and density functional theory calculations, that controlling charge density redistribution via the atomic-scale incorporation of heteroatoms is paramount to import surface active sites. We engineer the deterministic nitrogen atoms inserting the bulk material to preferentially expose active sites to turn the inactive material into a sufficient electrocatalyst. The excellent electrocatalytic activity of N-In2O3 nanocrystals leads to higher performance of dye-sensitized solar cells (DSCs) than the DSCs fabricated with Pt. The successful strategy provides the rational design of transforming abundant materials into high-efficient electrocatalysts. More importantly, the exciting discovery of turning the commonly used transparent conductive oxide (TCO) in DSCs into counter electrode material means that except for decreasing the cost, the device structure and processing techniques of DSCs can be simplified in future.

  6. A deterministic discrete ordinates transport proxy application

    SciTech Connect

    2014-06-03

    Kripke is a simple 3D deterministic discrete ordinates (Sn) particle transport code that maintains the computational load and communications pattern of a real transport code. It is intended to be a research tool to explore different data layouts, new programming paradigms and computer architectures.

  7. Deterministic Quantization by Dynamical Boundary Conditions

    SciTech Connect

    Dolce, Donatello

    2010-06-15

    We propose an unexplored quantization method. It is based on the assumption of dynamical space-time intrinsic periodicities for relativistic fields, which in turn can be regarded as dual to extra-dimensional fields. As a consequence we obtain a unified and consistent interpretation of Special Relativity and Quantum Mechanics in terms of Deterministic Geometrodynamics.

  8. Supports of invariant measures for piecewise deterministic Markov processes

    NASA Astrophysics Data System (ADS)

    Benaïm, M.; Colonius, F.; Lettau, R.

    2017-09-01

    For a class of piecewise deterministic Markov processes, the supports of the invariant measures are characterized. This is based on the analysis of controllability properties of an associated deterministic control system. Its invariant control sets determine the supports.

  9. A model-data intercomparison of CO2 exchange across North America: Results from the North American Carbon Program site synthesis

    SciTech Connect

    Schwalm, Christopher R.; Williams, Christopher A.; Schaefer, Kevin; Anderson, Ryan; Arain, A.; Baker, Ian; Lokupitiya, Erandathie; Barr, Alan; Black, T. A.; Gu, Lianhong; Riciutto, Dan M.

    2010-12-01

    Our current understanding of terrestrial carbon processes is represented in various models used to integrate and scale measurements of CO2 exchange from remote sensing and other spatiotemporal data. Yet assessments are rarely conducted to determine how well models simulate carbon processes across vegetation types and environmental conditions. Using standardized data from the North American Carbon Program we compare observed and simulated monthly CO2 exchange from 44 eddy covariance flux towers in North America and 22 terrestrial biosphere models. The analysis period spans 220 site-years, 10 biomes, and includes two large-scale drought events, providing a natural experiment to evaluate model skill as a function of drought and seasonality. We evaluate models' ability to simulate the seasonal cycle of CO2 exchange using multiple model skill metrics and analyze links between model characteristics, site history, and model skill. Overall model performance was poor; the difference between observations and simulations was 10 times observational uncertainty, with forested ecosystems better predicted than nonforested. Model-data agreement was highest in summer and in temperate evergreen forests. In contrast, model performance declined in spring and fall, especially in ecosystems with large deciduous components, and in dry periods during the growing season. Models used across multiple biomes and sites, the mean model ensemble, and a model using assimilated parameter values showed high consistency with observations. Models with the highest skill across all biomes all used prescribed canopy phenology, calculated NEE as the difference between GPP and ecosystem respiration, and did not use a daily time step.

  10. Deterministic nanoparticle assemblies: from substrate to solution

    NASA Astrophysics Data System (ADS)

    Barcelo, Steven J.; Kim, Ansoon; Gibson, Gary A.; Norris, Kate J.; Yamakawa, Mineo; Li, Zhiyong

    2014-04-01

    The deterministic assembly of metallic nanoparticles is an exciting field with many potential benefits. Many promising techniques have been developed, but challenges remain, particularly for the assembly of larger nanoparticles which often have more interesting plasmonic properties. Here we present a scalable process combining the strengths of top down and bottom up fabrication to generate deterministic 2D assemblies of metallic nanoparticles and demonstrate their stable transfer to solution. Scanning electron and high-resolution transmission electron microscopy studies of these assemblies suggested the formation of nanobridges between touching nanoparticles that hold them together so as to maintain the integrity of the assembly throughout the transfer process. The application of these nanoparticle assemblies as solution-based surface-enhanced Raman scattering (SERS) materials is demonstrated by trapping analyte molecules in the nanoparticle gaps during assembly, yielding uniformly high enhancement factors at all stages of the fabrication process.

  11. Master equation analysis of deterministic chemical chaos

    NASA Astrophysics Data System (ADS)

    Wang, Hongli; Li, Qianshu

    1998-05-01

    The underlying microscopic dynamics of deterministic chemical chaos was investigated in this paper. We analyzed the master equation for the Williamowski-Rössler model by direct stochastic simulation as well as in the generating function representation. Simulation within an ensemble revealed that in the chaotic regime the deterministic mass action kinetics is related neither to the ensemble mean nor to the most probable value within the ensemble. Cumulant expansion analysis of the master equation also showed that the molecular fluctuations do not admit bounded values but increase linearly in time infinitely, indicating the meaninglessness of the chaotic trajectories predicted by the phenomenological equations. These results proposed that the macroscopic description is no longer useful in the chaotic regime and a more microscopic description is necessary in this circumstance.

  12. Deterministic Clone of an Unknown N-Qubit Entangled State with Assistance

    NASA Astrophysics Data System (ADS)

    Ma, Song-Ya; Chen, Xiu-Bo; Guan, Xiao-Wei; Niu, Xin-Xin; Yang, Yi-Xian

    2010-11-01

    We propose a deterministic scheme to realize assisted-clone of an unknown N(≥3)-qubit entangled state. The first stage of the protocol requires teleportation via maximal entanglement as the quantum channel. In the second stage of the protocol, a novel set of mutually orthogonal basis vectors are constructed. With the assistance of the preparer through an N-particle projective measurement under this basis, the perfect copy of an original state can be produced. Comparing with the previous protocols which produce the unknown state and its orthogonal complement state at the site of the sender, our scheme generates the unknown state deterministically.

  13. Deterministic nanoassembly: Neutral or plasma route?

    NASA Astrophysics Data System (ADS)

    Levchenko, I.; Ostrikov, K.; Keidar, M.; Xu, S.

    2006-07-01

    It is shown that, owing to selective delivery of ionic and neutral building blocks directly from the ionized gas phase and via surface migration, plasma environments offer a better deal of deterministic synthesis of ordered nanoassemblies compared to thermal chemical vapor deposition. The results of hybrid Monte Carlo (gas phase) and adatom self-organization (surface) simulation suggest that higher aspect ratios and better size and pattern uniformity of carbon nanotip microemitters can be achieved via the plasma route.

  14. Ada programming guidelines for deterministic storage management

    NASA Technical Reports Server (NTRS)

    Auty, David

    1988-01-01

    Previous reports have established that a program can be written in the Ada language such that the program's storage management requirements are determinable prior to its execution. Specific guidelines for ensuring such deterministic usage of Ada dynamic storage requirements are described. Because requirements may vary from one application to another, guidelines are presented in a most-restrictive to least-restrictive fashion to allow the reader to match appropriate restrictions to the particular application area under investigation.

  15. Deterministic linear optical quantum Toffoli gate

    NASA Astrophysics Data System (ADS)

    Huang, He-Liang; Bao, Wan-Su; Li, Tan; Li, Feng-Guang; Fu, Xiang-Qun; Zhang, Shuo; Zhang, Hai-Long; Wang, Xiang

    2017-09-01

    Quantum Toffoli gate is a crucial part of many quantum information processing schemes. We design a deterministic linear optical quantum Toffoli gate using three degrees of freedom of a single photon. The proposed setup does not require any ancilla photons and is experimentally feasible with current technology. Moreover, we show that our setup can be directly used to demonstrate that hypergraph states violate local realism in an extreme manner.

  16. Nonlinear neural network for deterministic scheduling

    SciTech Connect

    Gulati, S.; Iyengar, S.S.; Toomarian, N.; Protopopescu, V.; Barhen, J.

    1988-01-01

    This paper addresses the NP-complete, deterministic scheduling problem for a single server system. Given a set of n tasks along with the precedence-constraints among them, their timing requirements, setup costs and their completion deadlines, a neuromorphic model is used to construct a non-preemptive optimal processing schedule such that the total completion time, total tarediness and the number of tardy jobs is minimized. This model exhibits faster convergence than techniques based on gradient projection methods.

  17. Deterministic Mean-Field Ensemble Kalman Filtering

    SciTech Connect

    Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

    2016-05-03

    The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d < 2κ. The fidelity of approximation of the true distribution is also established using an extension of the total variation metric to random measures. Lastly, this is limited by a Gaussian bias term arising from nonlinearity/non-Gaussianity of the model, which arises in both deterministic and standard EnKF. Numerical results support and extend the theory.

  18. Deterministic Mean-Field Ensemble Kalman Filtering

    DOE PAGES

    Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

    2016-05-03

    The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d deterministic and standard EnKF. Numerical results support and extend the theory.« less

  19. Deterministic Mean-Field Ensemble Kalman Filtering

    SciTech Connect

    Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

    2016-05-03

    The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d < 2κ. The fidelity of approximation of the true distribution is also established using an extension of the total variation metric to random measures. Lastly, this is limited by a Gaussian bias term arising from nonlinearity/non-Gaussianity of the model, which arises in both deterministic and standard EnKF. Numerical results support and extend the theory.

  20. Heterogeneity of nuclear estrogen-binding sites in the rat uterus: a simple method for the quantitation of type I and type II sites by (3H)estradiol exchange

    SciTech Connect

    Markaverich, B.M.; Williams, M.; Upchurch, S.; Clark, J.H.

    1981-07-01

    Estrogen administration to mature-ovariectomized rats causes the activation or stimulation of secondary nuclear estrogen-binding sites (type II) in the uterus which can interfere with estrogen receptor (type I) measurement. Earlier reports from our laboratory have shown that quantitation of type I sites in the presence of the type II site is very difficult and can only be achieved by graphic analysis of saturation curves which employ a wide range (0.4-40 NM) of (/sup 3/H)estradiol concentrations in nuclear exchange assay. The studies presented in this manuscript describe simple methods which can be used to separately quantitate both nuclear estrogen-binding sites using a single concentration of (/sup 3/H)estradiol. Since the nuclear type II site does not bind (/sup 3/H)estradiol in the presence of reducing agent, type I sites can be easily quantitated by incubating nuclei (37 C for 30 min) in Tris-EDTA buffer containing 0.1-1.00 mM dithiothreitol using a single saturating concentration of (/sup 3/H)estradiol. Conversely, a single concentration of (/sup 3/H)estradiol (40-80 nM) can be used to quantitate the nuclear type II site by incubating nuclei in Tris-EDTA buffer under conditions (4 C for 60 min) which do not measure occupied nuclear estrogen receptor. Therefore, by using the appropriate buffer system, type I and type II sites can be easily separated in mixed binding systems. In addition, we also demonstrate that Nafoxidine does not bind to the nuclear type II site. Therefore, it can be used as a competitive inhibitor of (/sup 3/H)estradiol binding to type I sites and permit the measurement of type II sites without interference from type I sites. These techniques should be applicable to autoradiographic or fluorescence studies which cannot discriminate between steroid binding to these two classes of nuclear estrogen-binding sites.

  1. Copper(II) complexes with peptides based on the second cell binding site of fibronectin: metal coordination and ligand exchange kinetics.

    PubMed

    Pizzanelli, Silvia; Forte, Claudia; Pinzino, Calogero; Magrì, Antonio; La Mendola, Diego

    2016-02-07

    Copper(ii) complexes with short peptides based on the second cell binding site of fibronectin, PHSFN and PHSEN, have been characterized by potentiometric, UV-vis, CD, EPR and NMR spectroscopic methods. The histidine imidazole nitrogen is the anchoring site for the metal ion binding. Thermodynamic and spectroscopic evidence is given that the side chain oxygen donor atom of glutamyl residue in Ac-PHSEN-NH2 is also involved in the binding up to physiological pH. To determine ligand exchange kinetic parameters after the imidazole nitrogen anchoring, proton relaxation enhancement NMR data have been collected for the two hydrogen atoms of the imidazole ring in the temperature range 293-315 K at pH 5.2 and globally treated within different kinetic models for ligand exchange. The best fitting model involves two steps. In the first one, which is slow, a water molecule disengages a carbonyl or a carboxylate group coordinated to the metal ion in the complex formed by PHSFN or PHSEN, respectively. This stage is one order of magnitude slower for PHSEN, due to entropic effects. In the second step, which is fast, the complex just formed exchanges with the ligand. In this step, no appreciable differences are found for the two cases examined.

  2. Seasonal exchange of carbon dioxide between the atmosphere and the terrestrial biosphere: extrapolation from site-specific models to regional models

    SciTech Connect

    King, A.W.

    1986-01-01

    Ecological models of the seasonal exchange of carbon dioxide (CO/sub 2/) between the atmosphere and the terrestrial biosphere are needed in the study of changes in atmospheric CO/sub 2/ concentration. In response to this need, a set of site-specific models of seasonal terrestrial carbon dynamics was assembled from open-literature sources. The collection was chosen as a base for the development of biome-level models for each of the earth's principal terrestrial biomes or vegetation complexes. The primary disadvantage of this approach is the problem of extrapolating the site-specific models across large regions having considerable biotic, climatic, and edaphic heterogeneity. Two methods of extrapolation were tested. The first approach was a simple extrapolation that assumed relative within-biome homogeneity, and generated CO/sub 2/ source functions that differed dramatically from published estimates of CO/sub 2/ exchange. The second extrapolation explicitly incorporated within-biome variability in the abiotic variables that drive seasonal biosphere-atmosphere CO/sub 2/ exchange.

  3. Ratiometric analysis in hyperpolarized NMR (I): test of the two-site exchange model and the quantification of reaction rate constants.

    PubMed

    Li, Lin Z; Kadlececk, Stephen; Xu, He N; Daye, Dania; Pullinger, Benjamin; Profka, Harrilla; Chodosh, Lewis; Rizi, Rahim

    2013-10-01

    Conventional methods for the analysis of in vivo hyperpolarized (13) C NMR data from the lactate dehydrogenase (LDH) reaction usually make assumptions on the stability of rate constants and/or the validity of the two-site exchange model. In this study, we developed a framework to test the validity of the assumption of stable reaction rate constants and the two-site exchange model in vivo via ratiometric fitting of the time courses of the signal ratio L(t)/P(t). Our analysis provided evidence that the LDH enzymatic kinetics observed by hyperpolarized NMR are in near-equilibrium and satisfy the two-site exchange model for only a specific time window. In addition, we quantified both the forward and reverse exchange rate constants of the LDH reaction for the transgenic and mouse xenograft models of breast cancer using the ratio fitting method developed, which includes only two modeling parameters and is less sensitive to the influence of instrument settings/protocols, such as flip angles, degree of polarization and tracer dosage. We further compared the ratio fitting method with a conventional two-site exchange modeling method, i.e. the differential equation fitting method, using both the experimental and simulated hyperpolarized NMR data. The ratio fitting method appeared to fit better than the differential equation fitting method for the reverse rate constant on the mouse tumor data, with less relative errors on average, whereas the differential equation fitting method also resulted in a negative reverse rate constant for one tumor. The simulation results indicated that the accuracy of both methods depends on the width of the transport function, noise level and rate constant ratio; one method may be more accurate than the other based on the experimental/biological conditions aforementioned. We were able to categorize our tumor models into specific conditions of the computer simulation and to estimate the errors of rate quantification. We also discussed possible

  4. Effects of basic site proximity on deprotonation and hydrogen/deuterium exchange reactions for model dodecapeptide ions containing lysine and glycine

    NASA Astrophysics Data System (ADS)

    Zhang, Xin; Ewing, Nigel P.; Cassady, Carolyn J.

    1998-05-01

    The effects of basic site proximity on gas-phase deprotonation and hydrogen/deuterium (H/D) exchange reactions were investigated for three model dodecapeptide ions in a Fourier transform ion cyclotron resonance mass spectrometer. Each peptide contained four high basicity lysine (K) residues and eight low basicity glycine (G) residues; however, the ordering of the residues differed. In the deprotonation studies, `fully protonated' peptide ions, [M + 4H]4+, where M = (KGG)4, (K2G4)2, and K4G8, were reacted with reference compounds of known basicities. Reaction efficiencies were in the order: [K4G8 + 4H]4+ > [(K2G4)2 + 4H]4+ ~ [(KGG)4 + 4H]4+. The facile reaction of [K4G8 + 4H]4+ is consistent with this ion having the highest Coulomb energy. For gas-phase H/D exchange reactions with d4-methanol, [K4G8 + 4H]4+ has the fastest exchange rate and undergoes the largest number of exchanges; 22 of the 26 labile hydrogens exchanged within the timescale studied. In contrast, [(KGG)4 + 4H]4+ and [(K2G4)2 + 4H]4+ reacted more slowly, but at similar rates, with a maximum of 14 observed exchanges for both ions. Molecular dynamics calculations were conducted to gain insights into conformations. In the lowest energy structures for [(KGG)4 + 4H]4+ and [(K2G4)2 + 4H]4+, the lysine n-butylamino chains stretch out to minimize Coulomb energy; there is little or no intramolecular hydrogen bonding involving the protonated amino groups. In contrast, for [K4G8 + 4H]4+, the proximity of the basicity residues makes minimization of the Coulomb energy difficult; instead, the structure becomes more compact with stabilization of the protonated amino groups by extensive intramolecular hydrogen bonding to heteroatoms in the peptide backbone. The calculated structures suggest that, in the H/D exchange reactions, the compact conformation of [K4G8 + 4H]4+ allows stabilization of the methanolpeptide intermediate by hydrogen bonding, thus lowering the barrier to proton transfer within the complex. The

  5. Air-sea exchange of CO2 at a Northern California coastal site along the California Current upwelling system

    NASA Astrophysics Data System (ADS)

    Ikawa, H.; Faloona, I.; Kochendorfer, J.; Paw U, K. T.; Oechel, W. C.

    2013-07-01

    It is not well understood whether coastal upwelling is a net CO2 source to the atmosphere or a net CO2 sink to the ocean due to high temporal variability of air-sea CO2 exchange (CO2 flux) in coastal upwelling zones. Upwelling transports heterotrophic, CO2 enriched water to the surface and releases CO2 to the atmosphere, whereas the presence of nutrient-rich water at the surface supports high primary production and atmospheric CO2 uptake. To quantify the effects of upwelling on CO2 flux, we measured CO2 flux at a coastal upwelling site off of Bodega Bay, California, with the eddy covariance technique during the summer of 2007 and the fall of 2008, and the bulk method with partial pressure of CO2 of surface water (pCO2) data from November 2010 to July 2011. Variations in sea surface temperatures (SST) and alongshore wind velocity suggest that the measurement period in 2007 coincided with a typical early summer upwelling period and the measurement period in 2008 was during a typical fall relaxation period. A strong source of CO2 (~ 1.5 ± 7 SD (standard deviation) g C m-2 day-1) from the ocean to the atmosphere during the upwelling period was concurrent with high salinity, low SST, and low chlorophyll density. In contrast, a weak source of CO2 flux (~ 0.2 ± 3 SD g C m-2 day-1) was observed with low salinity, high SST and high chlorophyll density during the relaxation period. Similarly, the sink and source balance of CO2 flux was highly related to salinity and SST during the pCO2 measurement periods; high salinity and low SST corresponded to high pCO2, and vice versa. We estimated that the coastal area off Bodega Bay was likely an overall source of CO2 to the atmosphere based on the following conclusions: (1) the overall CO2 flux estimated from both eddy covariance and pCO2 measurements showed a source of CO2; (2) although the relaxation period during the 2008 measurements were favorable to CO2 uptake, CO2 flux during this period was still a slight source; (3

  6. Air-sea exchange of CO2 at a Northern California coastal site along the California Current upwelling system

    NASA Astrophysics Data System (ADS)

    Ikawa, H.; Faloona, I.; Kochendorfer, J.; Paw U, K. T.; Oechel, W. C.

    2012-12-01

    Uncertainty in the air-sea CO2 exchange (CO2 flux) in coastal upwelling zones is attributed to high temporal variability, which is caused by changes in ocean currents. Upwelling transports heterotrophic, CO2 enriched water to the surface and releases CO2 to the atmosphere, whereas the presence of nutrient-rich water at the surface supports high primary production and atmospheric CO2 uptake. To quantify the effects of upwelling on CO2 fluxes, we measured CO2 flux at a coastal upwelling site off of Bodega Bay, California, during the summer of 2007 and the fall of 2008 using the eddy covariance technique and the bulk method with pCO2 measurements from November 2010 to July 2011. Variations in sea surface temperatures (SST) and alongshore wind speeds suggest that the measurement period in 2007 coincided with a typical early-summer upwelling period and the measurement period in 2008 was during a typical fall relaxation period. A strong source of CO2 (~1.5 ± 7 SD (standard deviation) g C m-2 day-1) from the ocean to the atmosphere during the upwelling period was concurrent with high salinity, low SST, and low chlorophyll density. In contrast, a weak source of CO2 flux (~0.2 ± 3 SD g C m-2 day-1) was observed with low salinity, high SST and high chlorophyll density during the relaxation period. Similarly, the sink and source balance of CO2flux was highly related to salinity and SST during the pCO2 measurement periods; high salinity and low SST corresponded to high pCO2, and vice versa. We estimated that the coastal area off Bodega Bay was likely a source of CO2 to the atmosphere based on the following conclusions: (1) the overall CO2 flux estimated from both eddy covariance and pCO2 measurements showed a source of CO2; (2) although the relaxation period during the 2008 measurements were favorable to CO2 uptake, CO2 flux during this period was still a slight source, (3) salinity and SST were found to be good predictors of the CO2 flux for both eddy covariance and pCO2

  7. Atmospheric N deposition and feedbacks on net ecosystem CO2 exchange at a semi-natural peatland site

    NASA Astrophysics Data System (ADS)

    Hurkuck, Miriam; Brümmer, Christian; Spott, Oliver; Flessa, Heinz; Kutsch, Werner L.

    2013-04-01

    Large areas of Northern Germany have been converted from natural peat bogs to arable land and were subjected to draining and peat cutting in the past. The few protected peatland areas remaining are affected by high nitrogen (N) deposition. This is the case at our study site - a semi-natural raised bog - which although located in a natural park, is surrounded by highly fertilized agricultural land and highly emitting animal husbandry farms. In this study, we use a combined approach of two independent methods to quantify atmospheric N deposition. We further investigate possible feedbacks of seasonal variation in N deposition on net ecosystem CO2 exchange (NEE). Fluxes of ammonia (NH3) and its atmospheric reactants are measured by a KAPS-denuder system. Additionally, total N input from the atmosphere into a soil-plant model ecosystem is investigated by a 15N dilution method called 'Integrated Total Nitrogen Input' (ITNI). With this approach, we allocate atmospheric N after its uptake by the ecosystem into its different fractions and investigate both plant-species effects (Lolium multiflorum, Eriophorum vaginatum) and influences of the plant biomass production induced by different amounts of fertilizer addition. Continuous eddy-covariance measurements are carried out to measure NEE. Maximum NH3 depositions of 0.41 ± 0.04 kg ha-1 week-1 were found in spring 2012. The proportion of fluxes of other N compounds such as HNO3, aerosol NH4 and NO3 was usually around 20 % of total dry N measured by KAPS denuders. In total, dry N deposition was 11.2 ± 0.9 kg N ha-1 yr-1 over the first year of experiments. Complemented with wet N measurements using bulk samplers, total N depositions of about 25.0 kg ha-1 yr-1 were found. The mean atmospheric N uptake determined with the ITNI system was 3.99 ± 0.82 mg N g-1 dry weight from July to October 2011. About two third of total deposited airborne N was allocated in above-ground plant biomass and roots. Upscaling of data based on pot

  8. Effects of the transport site conformation on the binding of external NAP-taurine to the human erythrocyte anion exchange system: evidence for intrinsic asymmetry

    SciTech Connect

    Knauf, P.A.; Law, F.Y.; Tarshis, T.; Furuya, W.

    1984-05-01

    External N-(4-azido (NAP-taurine) inhibits human red cell chloride exchange by binding to a site that is distinct from the chloride transport site. Increases in the intracellular chloride concentration (at constant external chloride) cause an increase in the inhibitory potency of external NAP-taurine. This effect is not due to the changes in pH or membrane potential that usually accompany a chloride gradient, since even when these changes are reversed or eliminated the inhibitory potency remains high. According to the ping-pong model for anion exchange, such transmembrane effects of intracellular chloride on external NAP-taurine can be explained if NAP-taurine only binds to its site when the transport site is in the outward-facing (E/sub o/ or ECl/sub o/) form. Since NAP-taurine prevents the conformational change from ECl/sub o/ to ECl/sub i/, it must lock the system in the outward-facing form. NAP-taurine can therefore be used just like the competitive inhibitor H/sub 2/DIDS (4,4'-diisothiocyano-1,2-diphenylethane-2,2'-disulfonic acid) to monitor the fraction of transport sites that face outward. A quantitative analysis of the effects of chloride gradients on the inhibitory potency of NAP-taurine and H/sub 2/DIDS reveals that the transport system is intrinsically asymmetric, such that when Cl/sub i/ = Cl/sub o/, most of the unloaded transport sites face the cytoplasmic side of the membrane. 30 references, 7 figures, 3 tables.

  9. Deterministic processes vary during community assembly for ecologically dissimilar taxa

    PubMed Central

    Powell, Jeff R.; Karunaratne, Senani; Campbell, Colin D.; Yao, Huaiying; Robinson, Lucinda; Singh, Brajesh K.

    2015-01-01

    The continuum hypothesis states that both deterministic and stochastic processes contribute to the assembly of ecological communities. However, the contextual dependency of these processes remains an open question that imposes strong limitations on predictions of community responses to environmental change. Here we measure community and habitat turnover across multiple vertical soil horizons at 183 sites across Scotland for bacteria and fungi, both dominant and functionally vital components of all soils but which differ substantially in their growth habit and dispersal capability. We find that habitat turnover is the primary driver of bacterial community turnover in general, although its importance decreases with increasing isolation and disturbance. Fungal communities, however, exhibit a highly stochastic assembly process, both neutral and non-neutral in nature, largely independent of disturbance. These findings suggest that increased focus on dispersal limitation and biotic interactions are necessary to manage and conserve the key ecosystem services provided by these assemblages. PMID:26436640

  10. Quantitative analysis of spin exchange interactions to identify β strand and turn regions in Ure2 prion domain fibrils with site-directed spin labeling.

    PubMed

    Ngo, Sam; Chiang, Vicky; Guo, Zhefeng

    2012-11-01

    Amyloid formation is associated with a range of debilitating human disorders including Alzheimer's and prion diseases. The amyloid structure is essential for understanding the role of amyloids in these diseases. Amyloid formation of Ure2 protein underlies the yeast prion [URE3]. Here we use site-directed spin labeling and electron paramagnetic resonance (EPR) spectroscopy to investigate the structure of amyloid fibrils formed by the Ure2 prion domain. The Ure2 prion domain under study contains a Sup35M domain at C-terminus as a solubilization element. We introduced spin labels at every residue from positions 2-15, and every 5th residue from positions 20-80 in Ure2 prion domain. EPR spectra at most labeling sites show strong spin exchange interactions, suggesting a parallel in-register β structure. With quantitative analysis of spin exchange interactions, we show that residues 8-12 form the first β strand, followed by a turn at residues 13-14, and then the second β strand from residue 15 to at least residue 20. Comparison of the spin exchange frequency for the fibrils formed under quiescent and agitated conditions also revealed differences in the fibril structures. Currently there is a lack of techniques for in-depth structural studies of amyloid fibrils. Detailed structural information is obtained almost exclusively from solid-state NMR. The identification of β-strand and turn regions in this work suggests that quantitative analysis of spin exchange interactions in spin-labeled amyloid fibrils is a powerful approach for identifying the β-strand and turn/loop residues and for studying structural differences of different fibril polymorphs.

  11. Sites Involved in Intra- and Interdomain Allostery Associated with the Activation of Factor VIIa Pinpointed by Hydrogen-Deuterium Exchange and Electron Transfer Dissociation Mass Spectrometry*

    PubMed Central

    Song, Hongjian; Olsen, Ole H.; Persson, Egon; Rand, Kasper D.

    2014-01-01

    Factor VIIa (FVIIa) is a trypsin-like protease that plays an important role in initiating blood coagulation. Very limited structural information is available for the free, inactive form of FVIIa that circulates in the blood prior to vascular injury and the molecular details of its activity enhancement remain elusive. Here we have applied hydrogen/deuterium exchange mass spectrometry coupled to electron transfer dissociation to pinpoint individual residues in the heavy chain of FVIIa whose conformation and/or local interaction pattern changes when the enzyme transitions to the active form, as induced either by its cofactor tissue factor or a covalent active site inhibitor. Identified regulatory residues are situated at key sites across one continuous surface of the protease domain spanning the TF-binding helix across the activation pocket to the calcium binding site and are embedded in elements of secondary structure and at the base of flexible loops. Thus these residues are optimally positioned to mediate crosstalk between functional sites in FVIIa, particularly the cofactor binding site and the active site. Our results unambiguously show that the conformational allosteric activation signal extends to the EGF1 domain in the light chain of FVIIa, underscoring a remarkable intra- and interdomain allosteric regulation of this trypsin-like protease. PMID:25344622

  12. Sites involved in intra- and interdomain allostery associated with the activation of factor VIIa pinpointed by hydrogen-deuterium exchange and electron transfer dissociation mass spectrometry.

    PubMed

    Song, Hongjian; Olsen, Ole H; Persson, Egon; Rand, Kasper D

    2014-12-19

    Factor VIIa (FVIIa) is a trypsin-like protease that plays an important role in initiating blood coagulation. Very limited structural information is available for the free, inactive form of FVIIa that circulates in the blood prior to vascular injury and the molecular details of its activity enhancement remain elusive. Here we have applied hydrogen/deuterium exchange mass spectrometry coupled to electron transfer dissociation to pinpoint individual residues in the heavy chain of FVIIa whose conformation and/or local interaction pattern changes when the enzyme transitions to the active form, as induced either by its cofactor tissue factor or a covalent active site inhibitor. Identified regulatory residues are situated at key sites across one continuous surface of the protease domain spanning the TF-binding helix across the activation pocket to the calcium binding site and are embedded in elements of secondary structure and at the base of flexible loops. Thus these residues are optimally positioned to mediate crosstalk between functional sites in FVIIa, particularly the cofactor binding site and the active site. Our results unambiguously show that the conformational allosteric activation signal extends to the EGF1 domain in the light chain of FVIIa, underscoring a remarkable intra- and interdomain allosteric regulation of this trypsin-like protease. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  13. Deterministic and stochastic modeling of aquifer stratigraphy, South Carolina

    SciTech Connect

    Miller, R.B.; Castle, J.W.; Temples, T.J.

    2000-04-01

    Deterministic and stochastic methods of three-dimensional hydrogeologic modeling are applied to characterization of contaminated Eocene aquifers at the Savannah River Site, South Carolina. The results address several important issues, including the use of multiple types of data in creating high-resolution aquifer models and the application of sequence-stratigraphic constraints. Specific procedures used include defining grid architecture stratigraphically, upscaling, modeling lithologic properties, and creating multiple equiprobable realizations of aquifer stratigraphy. An important question answered by the study is how to incorporate gamma-ray borehole-geophysical data in areas of anomalous log response, which occurs commonly in aquifers and confining units of the Atlantic Coastal Plain and other areas. To overcome this problem, gamma-ray models were conditioned to grain-size and lithofacies realizations. The investigation contributes to identifying potential pathways for downward migration of contaminants, which have been detected in confined aquifers at the modeling site. The approach followed in this investigation produces quantitative, stratigraphically constrained, geocellular models that incorporate multiple types of data from borehole-geophysical logs and continuous cores. The use of core-based stochastic realizations in conditioning deterministic models provides the advantage of incorporating lithologic information based on direct observations of cores rather than using only indirect measurements from geophysical logs. The high resolution of the models is demonstrated by the representation of thin, discontinuous clay beds that act as local barriers to flow. The models are effective in depicting the contrasts in geometry and heterogeneity between sheet-like nearshore-transgressive sands and laterally discontinuous sands of complex shoreline environments.

  14. Deterministic convergence in iterative phase shifting

    SciTech Connect

    Luna, Esteban; Salas, Luis; Sohn, Erika; Ruiz, Elfego; Nunez, Juan M.; Herrera, Joel

    2009-03-10

    Previous implementations of the iterative phase shifting method, in which the phase of a test object is computed from measurements using a phase shifting interferometer with unknown positions of the reference, do not provide an accurate way of knowing when convergence has been attained. We present a new approach to this method that allows us to deterministically identify convergence. The method is tested with a home-built Fizeau interferometer that measures optical surfaces polished to {lambda}/100 using the Hydra tool. The intrinsic quality of the measurements is better than 0.5 nm. Other possible applications for this technique include fringe projection or any problem where phase shifting is involved.

  15. Deterministic Folding in Stiff Elastic Membranes

    NASA Astrophysics Data System (ADS)

    Tallinen, T.; Åström, J. A.; Timonen, J.

    2008-09-01

    Crumpled membranes have been found to be characterized by complex patterns of spatially seemingly random facets separated by narrow ridges of high elastic energy. We demonstrate by numerical simulations that compression of stiff elastic membranes with small randomness in their initial configurations leads to either random ridge configurations (high entropy) or nearly deterministic folds (low elastic energy). For folding with symmetric ridge configurations to appear in part of the crumpling processes, the crumpling rate must be slow enough. Folding stops when the thickness of the folded structure becomes important, and crumpling continues thereafter as a random process.

  16. Diffusion in Deterministic Interacting Lattice Systems

    NASA Astrophysics Data System (ADS)

    Medenjak, Marko; Klobas, Katja; Prosen, Tomaž

    2017-09-01

    We study reversible deterministic dynamics of classical charged particles on a lattice with hard-core interaction. It is rigorously shown that the system exhibits three types of transport phenomena, ranging from ballistic, through diffusive to insulating. By obtaining an exact expressions for the current time-autocorrelation function we are able to calculate the linear response transport coefficients, such as the diffusion constant and the Drude weight. Additionally, we calculate the long-time charge profile after an inhomogeneous quench and obtain diffusive profilewith the Green-Kubo diffusion constant. Exact analytical results are corroborated by Monte Carlo simulations.

  17. Phase Space Transition States for Deterministic Thermostats

    NASA Astrophysics Data System (ADS)

    Ezra, Gregory; Wiggins, Stephen

    2009-03-01

    We describe the relation between the phase space structure of Hamiltonian and non-Hamiltonian deterministic thermostats. We show that phase space structures governing reaction dynamics in Hamiltonian systems, such as the transition state, map to the same type of phase space structures for the non-Hamiltonian isokinetic equations of motion for the thermostatted Hamiltonian. Our results establish a general theoretical framework for analyzing thermostat dynamics using concepts and methods developed in reaction rate theory. Numerical results are presented for the isokinetic thermostat.

  18. Deterministic quantum computation with one photonic qubit

    NASA Astrophysics Data System (ADS)

    Hor-Meyll, M.; Tasca, D. S.; Walborn, S. P.; Ribeiro, P. H. Souto; Santos, M. M.; Duzzioni, E. I.

    2015-07-01

    We show that deterministic quantum computing with one qubit (DQC1) can be experimentally implemented with a spatial light modulator, using the polarization and the transverse spatial degrees of freedom of light. The scheme allows the computation of the trace of a high-dimension matrix, being limited by the resolution of the modulator panel and the technical imperfections. In order to illustrate the method, we compute the normalized trace of unitary matrices and implement the Deutsch-Jozsa algorithm. The largest matrix that can be manipulated with our setup is 1080 ×1920 , which is able to represent a system with approximately 21 qubits.

  19. A model-data intercomparison of CO2 exchange across North America: Results from the North American Carbon Program Site Synthesis

    SciTech Connect

    Schwalm, C.R.; Williams, C.A.; Schaefer, K.; Anderson, R.; Arain, M.A.; Baker, I.; Black, T.A.; Chen, G.; Ciais, P.; Davis, K. J.; Desai, A. R.; Dietze, M.; Dragoni, D.; Fischer, M.L.; Flanagan, L.B.; Grant, R.F.; Gu, L.; Hollinger, D.; Izaurralde, R.C.; Kucharik, C.; Lafleur, P.M.; Law, B.E.; Li, L.; Li, Z.; Liu, S.; Lokupitiya, E.; Luo, Y.; Ma, S.; Margolis, H.; Matamala, R.; McCaughey, H.; Monson, R. K.; Oechel, W. C.; Peng, C.; Poulter, B.; Price, D.T.; Riciutto, D.M.; Riley, W.J.; Sahoo, A.K.; Sprintsin, M.; Sun, J.; Tian, H.; Tonitto, C.; Verbeeck, H.; Verma, S.B.

    2011-06-01

    Our current understanding of terrestrial carbon processes is represented in various models used to integrate and scale measurements of CO{sub 2} exchange from remote sensing and other spatiotemporal data. Yet assessments are rarely conducted to determine how well models simulate carbon processes across vegetation types and environmental conditions. Using standardized data from the North American Carbon Program we compare observed and simulated monthly CO{sub 2} exchange from 44 eddy covariance flux towers in North America and 22 terrestrial biosphere models. The analysis period spans {approx}220 site-years, 10 biomes, and includes two large-scale drought events, providing a natural experiment to evaluate model skill as a function of drought and seasonality. We evaluate models' ability to simulate the seasonal cycle of CO{sub 2} exchange using multiple model skill metrics and analyze links between model characteristics, site history, and model skill. Overall model performance was poor; the difference between observations and simulations was {approx}10 times observational uncertainty, with forested ecosystems better predicted than nonforested. Model-data agreement was highest in summer and in temperate evergreen forests. In contrast, model performance declined in spring and fall, especially in ecosystems with large deciduous components, and in dry periods during the growing season. Models used across multiple biomes and sites, the mean model ensemble, and a model using assimilated parameter values showed high consistency with observations. Models with the highest skill across all biomes all used prescribed canopy phenology, calculated NEE as the difference between GPP and ecosystem respiration, and did not use a daily time step.

  20. New Insights into Active Site Conformation Dynamics of E. coli PNP Revealed by Combined H/D Exchange Approach and Molecular Dynamics Simulations.

    PubMed

    Kazazić, Saša; Bertoša, Branimir; Luić, Marija; Mikleušević, Goran; Tarnowski, Krzysztof; Dadlez, Michal; Narczyk, Marta; Bzowska, Agnieszka

    2016-01-01

    The biologically active form of purine nucleoside phosphorylase (PNP) from Escherichia coli (EC 2.4.2.1) is a homohexamer unit, assembled as a trimer of dimers. Upon binding of phosphate, neighboring monomers adopt different active site conformations, described as open and closed. To get insight into the functions of the two distinctive active site conformations, virtually inactive Arg24Ala mutant is complexed with phosphate; all active sites are found to be in the open conformation. To understand how the sites of neighboring monomers communicate with each other, we have combined H/D exchange (H/DX) experiments with molecular dynamics (MD) simulations. Both methods point to the mobility of the enzyme, associated with a few flexible regions situated at the surface and within the dimer interface. Although H/DX provides an average extent of deuterium uptake for all six hexamer active sites, it was able to indicate the dynamic mechanism of cross-talk between monomers, allostery. Using this technique, it was found that phosphate binding to the wild type (WT) causes arrest of the molecular motion in backbone fragments that are flexible in a ligand-free state. This was not the case for the Arg24Ala mutant. Upon nucleoside substrate/inhibitor binding, some release of the phosphate-induced arrest is observed for the WT, whereas the opposite effects occur for the Arg24Ala mutant. MD simulations confirmed that phosphate is bound tightly in the closed active sites of the WT; conversely, in the open conformation of the active site of the WT phosphate is bound loosely moving towards the exit of the active site. In Arg24Ala mutant binary complex Pi is bound loosely, too.

  1. Deterministic prediction of surface wind speed variations

    NASA Astrophysics Data System (ADS)

    Drisya, G. V.; Kiplangat, D. C.; Asokan, K.; Satheesh Kumar, K.

    2014-11-01

    Accurate prediction of wind speed is an important aspect of various tasks related to wind energy management such as wind turbine predictive control and wind power scheduling. The most typical characteristic of wind speed data is its persistent temporal variations. Most of the techniques reported in the literature for prediction of wind speed and power are based on statistical methods or probabilistic distribution of wind speed data. In this paper we demonstrate that deterministic forecasting methods can make accurate short-term predictions of wind speed using past data, at locations where the wind dynamics exhibit chaotic behaviour. The predictions are remarkably accurate up to 1 h with a normalised RMSE (root mean square error) of less than 0.02 and reasonably accurate up to 3 h with an error of less than 0.06. Repeated application of these methods at 234 different geographical locations for predicting wind speeds at 30-day intervals for 3 years reveals that the accuracy of prediction is more or less the same across all locations and time periods. Comparison of the results with f-ARIMA model predictions shows that the deterministic models with suitable parameters are capable of returning improved prediction accuracy and capturing the dynamical variations of the actual time series more faithfully. These methods are simple and computationally efficient and require only records of past data for making short-term wind speed forecasts within practically tolerable margin of errors.

  2. Deterministic forward scatter from surface gravity waves.

    PubMed

    Deane, Grant B; Preisig, James C; Tindle, Chris T; Lavery, Andone; Stokes, M Dale

    2012-12-01

    Deterministic structures in sound reflected by gravity waves, such as focused arrivals and Doppler shifts, have implications for underwater acoustics and sonar, and the performance of underwater acoustic communications systems. A stationary phase analysis of the Helmholtz-Kirchhoff scattering integral yields the trajectory of focused arrivals and their relationship to the curvature of the surface wave field. Deterministic effects along paths up to 70 water depths long are observed in shallow water measurements of surface-scattered sound at the Martha's Vineyard Coastal Observatory. The arrival time and amplitude of surface-scattered pulses are reconciled with model calculations using measurements of surface waves made with an upward-looking sonar mounted mid-way along the propagation path. The root mean square difference between the modeled and observed pulse arrival amplitude and delay, respectively, normalized by the maximum range of amplitudes and delays, is found to be 0.2 or less for the observation periods analyzed. Cross-correlation coefficients for modeled and observed pulse arrival delays varied from 0.83 to 0.16 depending on surface conditions. Cross-correlation coefficients for normalized pulse energy for the same conditions were small and varied from 0.16 to 0.06. In contrast, the modeled and observed pulse arrival delay and amplitude statistics were in good agreement.

  3. Deterministic Creation of Macroscopic Cat States

    PubMed Central

    Lombardo, Daniel; Twamley, Jason

    2015-01-01

    Despite current technological advances, observing quantum mechanical effects outside of the nanoscopic realm is extremely challenging. For this reason, the observation of such effects on larger scale systems is currently one of the most attractive goals in quantum science. Many experimental protocols have been proposed for both the creation and observation of quantum states on macroscopic scales, in particular, in the field of optomechanics. The majority of these proposals, however, rely on performing measurements, making them probabilistic. In this work we develop a completely deterministic method of macroscopic quantum state creation. We study the prototypical optomechanical Membrane In The Middle model and show that by controlling the membrane’s opacity, and through careful choice of the optical cavity initial state, we can deterministically create and grow the spatial extent of the membrane’s position into a large cat state. It is found that by using a Bose-Einstein condensate as a membrane high fidelity cat states with spatial separations of up to ∼300 nm can be achieved. PMID:26345157

  4. Discrete Deterministic and Stochastic Petri Nets

    NASA Technical Reports Server (NTRS)

    Zijal, Robert; Ciardo, Gianfranco

    1996-01-01

    Petri nets augmented with timing specifications gained a wide acceptance in the area of performance and reliability evaluation of complex systems exhibiting concurrency, synchronization, and conflicts. The state space of time-extended Petri nets is mapped onto its basic underlying stochastic process, which can be shown to be Markovian under the assumption of exponentially distributed firing times. The integration of exponentially and non-exponentially distributed timing is still one of the major problems for the analysis and was first attacked for continuous time Petri nets at the cost of structural or analytical restrictions. We propose a discrete deterministic and stochastic Petri net (DDSPN) formalism with no imposed structural or analytical restrictions where transitions can fire either in zero time or according to arbitrary firing times that can be represented as the time to absorption in a finite absorbing discrete time Markov chain (DTMC). Exponentially distributed firing times are then approximated arbitrarily well by geometric distributions. Deterministic firing times are a special case of the geometric distribution. The underlying stochastic process of a DDSPN is then also a DTMC, from which the transient and stationary solution can be obtained by standard techniques. A comprehensive algorithm and some state space reduction techniques for the analysis of DDSPNs are presented comprising the automatic detection of conflicts and confusions, which removes a major obstacle for the analysis of discrete time models.

  5. Deterministic Bidirectional Remote State Preparation of a- and Symmetric Quantum States with a Proper Quantum Channel

    NASA Astrophysics Data System (ADS)

    Song, Yi; Ni, Jiang-Li; Wang, Zhang-Yin; Lu, Yan; Han, Lian-Fang

    2017-10-01

    We present a new scheme for deterministically realizing the mutual interchange of quantum information between two distant parties via selected quantum states as the shared entangled resource. We first show the symmetric bidirectional remote state preparation (BRSP), where two single-qubit quantum states will be simultaneously exchanged in a deterministic manner provided that each of the users performs single-qubit von Neumann measurements with proper measurement bases as well as appropriate unitary operations, depending essentially on the outcomes of the prior measurements. Then we consider to extend the symmetric protocol to an asymmetric case, in which BRSP of a general single-qubit state and an arbitrary two-qubit state is investigated successfully. The necessary quantum operations and the employed quantum resources are feasible according to the present technology, resulting in that this protocol may be realizable in the realm of current physical experiment.

  6. Deterministic Bidirectional Remote State Preparation of a- and Symmetric Quantum States with a Proper Quantum Channel

    NASA Astrophysics Data System (ADS)

    Song, Yi; Ni, Jiang-Li; Wang, Zhang-Yin; Lu, Yan; Han, Lian-Fang

    2017-08-01

    We present a new scheme for deterministically realizing the mutual interchange of quantum information between two distant parties via selected quantum states as the shared entangled resource. We first show the symmetric bidirectional remote state preparation (BRSP), where two single-qubit quantum states will be simultaneously exchanged in a deterministic manner provided that each of the users performs single-qubit von Neumann measurements with proper measurement bases as well as appropriate unitary operations, depending essentially on the outcomes of the prior measurements. Then we consider to extend the symmetric protocol to an asymmetric case, in which BRSP of a general single-qubit state and an arbitrary two-qubit state is investigated successfully. The necessary quantum operations and the employed quantum resources are feasible according to the present technology, resulting in that this protocol may be realizable in the realm of current physical experiment.

  7. The seasonal exchange of carbon dioxide between the atmosphere and the terrestrial biosphere: Extrapolation from site-specific models to regional models

    SciTech Connect

    King, A.W.; DeAngelis, D.L.; Post, W.M.

    1987-12-01

    Ecological models of the seasonal exchange of carbon dioxide (CO/sub 2/) between the atmosphere and the terrestrial biosphere are needed in the study of changes in atmospheric CO/sub 2/ concentration. In response to this need, a set of site-specific models of seasonal terrestrial carbon dynamics was assembled from open-literature sources. The collection was chosen as a base for the development of biome-level models for each of the earth's principal terrestrial biomes or vegetation complexes. The primary disadvantage of this approach is the problem of extrapolating the site-specific models across large regions having considerable biotic, climatic, and edaphic heterogeneity. Two methods of extrapolation were tested. 142 refs., 59 figs., 47 tabs

  8. A model-data intercomparison of CO2 exchange across North America: Results from the North American Carbon Program Site Synthesis

    SciTech Connect

    Schwalm, Christopher R; Williams, Christopher A; Schaefer, Kevin; Anderson, Ryan; Arain, M A; Baker, Ian; Barr, Alan; Black, T Andrew; Chen, Guangsheng; Chen, Jing Ming; Ciais, Philippe; Davis, Kenneth J; Desai, Ankur R; Dietze, Michael; Dragoni, Danilo; Fischer, Marc; Flanagan, Lawrence; Grant, Robert; Gu, Lianghong; Hollinger, D; Izaurralde, Roberto C; Kucharik, Chris; Lafleur, Peter; Law, Beverly E; Li, Longhui; Li, Zhengpeng; Liu, Shuguang; Lokupitiya, Erandathie; Luo, Yiqi; Ma, Siyan; Margolis, Hank; Matamala, R; McCaughey, Harry; Monson, Russell K; Oechel, Walter C; Peng, Changhui; Poulter, Benjamin; Price, David T; Riciutto, Dan M; Riley, William; Sahoo, Alok Kumar; Sprintsin, Michael; Sun, Jianfeng; Tian, Hanqin; Tonitto, Christine; Verbeeck, Hans; Verma, Shashi B

    2010-12-09

    There is a continued need for models to improve consistency and agreement with observations [Friedlingstein et al., 2006], both overall and under more frequent extreme climatic events related to global environmental change such as drought [Trenberth et al., 2007]. Past validation studies of terrestrial biosphere models have focused only on few models and sites, typically in close proximity and primarily in forested biomes [e.g., Amthor et al., 2001; Delpierre et al., 2009; Grant et al., 2005; Hanson et al., 2004; Granier et al., 2007; Ichii et al., 2009; Ito, 2008; Siqueira et al., 2006; Zhou et al., 2008]. Furthermore, assessing model-data agreement relative to drought requires, in addition to high-quality observedCO2 exchange data, a reliable drought metric as well as a natural experiment across sites and drought conditions.

  9. Assessing the performance of LOINC® and RadLex for coverage of CT scans across three sites in a health information exchange.

    PubMed

    Beitia, Anton Oscar; Kuperman, Gilad; Delman, Bradley N; Shapiro, Jason S

    2013-01-01

    We evaluated the performance of LOINC® and RadLex standard terminologies for covering CT test names from three sites in a health information exchange (HIE) with the eventual goal of building an HIE-based clinical decision support system to alert providers of prior duplicate CTs. Given the goal, the most important parameter to assess was coverage for high frequency exams that were most likely to be repeated. We showed that both LOINC® and RadLex provided sufficient coverage for our use case through calculations of (a) high coverage of 90% and 94%, respectively for the subset of CTs accounting for 99% of exams performed and (b) high concept token coverage (total percentage of exams performed that map to terminologies) of 92% and 95%, respectively. With trends toward greater interoperability, this work may provide a framework for those wishing to map radiology site codes to a standard nomenclature for purposes of tracking resource utilization.

  10. Adsorption of peptides and small proteins with control access polymer permeation to affinity binding sites. Part II: Polymer permeation-ion exchange separation adsorbents with polyethylene glycol and strong anion exchange groups.

    PubMed

    González-Ortega, Omar; Porath, Jerker; Guzmán, Roberto

    2012-03-02

    In chromatographic separations, the most general problem in small biomolecule isolation and purification is that such biomolecules are usually found in extremely low concentrations together with high concentrations of large molecular weight proteins. In the first part of this work, adsorption and size exclusion chromatography (AdSEC) controlled access media, using polyethylene glycol (PEG) as a semi-permeable barrier on a polysaccharide Immobilized Metal Affinity Chromatography (IMAC) matrix was synthesized and used to develop chromatographic adsorbents that preferentially adsorb and separate low molecular weight biomolecules while rejecting large molecular weight proteins. In this second part, we expand the concept of controlled access polymer permeation adsorption (CAPPA) media by grafting polyethylene glycol (PEG) on a high capacity polysaccharide ion exchange (IEX) chromatographic resin where PEG acts as a semi-permeable barrier that preferentially allows the permeation of small molecules while rejecting large ones. The IEX resin bearing quaternary ammonium groups binds permeated biomolecules according to their ion exchange affinity while excluding large biomolecules by the PEG barrier and thus cannot compete for the binding sites. This new AdSEC media was used to study the retention of peptides and proteins covering a wide range of molecular weights from 1 to 150 kDa. The effect of protein molecular weight towards retention by ion exchange was performed using pure protein solutions. Recovery of insulin from insulin-spiked human serum and insulin-spiked human urine was evaluated under polymer controlled permeation conditions. The CAPPA media consisted of agarose beads modified with amino-PEG-methoxy and with trimethyl ammonium groups, having chloride capacities between 20 and 40 μeq/mL and were effective in rejecting high molecular weight proteins while allowing the preferential adsorption of small proteins and peptides.

  11. Scaling up of Carbon Exchange Dynamics from AmeriFlux Sites to a Super-Region in the Eastern United States

    SciTech Connect

    Hans Peter Schmid; Craig Wayson

    2009-05-05

    The primary objective of this project was to evaluate carbon exchange dynamics across a region of North America between the Great Plains and the East Coast. This region contains about 40 active carbon cycle research (AmeriFlux) sites in a variety of climatic and landuse settings, from upland forest to urban development. The core research involved a scaling strategy that uses measured fluxes of CO{sub 2}, energy, water, and other biophysical and biometric parameters to train and calibrate surface-vegetation-atmosphere models, in conjunction with satellite (MODIS) derived drivers. To achieve matching of measured and modeled fluxes, the ecosystem parameters of the models will be adjusted to the dynamically variable flux-tower footprints following Schmid (1997). High-resolution vegetation index variations around the flux sites have been derived from Landsat data for this purpose. The calibrated models are being used in conjunction with MODIS data, atmospheric re-analysis data, and digital land-cover databases to derive ecosystem exchange fluxes over the study domain.

  12. Oxygen isotope biogeochemistry of pore water sulfate in the deep biosphere: Dominance of isotope exchange reactions with ambient water during microbial sulfate reduction (ODP Site 1130)

    NASA Astrophysics Data System (ADS)

    Wortmann, Ulrich G.; Chernyavsky, Boris; Bernasconi, Stefano M.; Brunner, Benjamin; Böttcher, Michael E.; Swart, Peter K.

    2007-09-01

    Microbially mediated sulfate reduction affects the isotopic composition of dissolved and solid sulfur species in marine sediments. Experiments and field data show that the δ18O composition is also modified in the presence of sulfate-reducing microorganisms. This has been attributed either to a kinetic isotope effect during the reduction of sulfate to sulfite, cell-internal exchange reactions between enzymatically-activated sulfate (APS), and/or sulfite with cytoplasmic water. The isotopic fingerprint of these processes may be further modified by the cell-external reoxidation of sulfide to elemental sulfur, and the subsequent disproportionation to sulfide and sulfate or by the oxidation of sulfite to sulfate. Here we report δ18O values from interstitial water samples of ODP Leg 182 (Site 1130) and provide the mathematical framework to describe the oxygen isotope fractionation of sulfate during microbial sulfate reduction. We show that a purely kinetic model is unable to explain our δ18O data, and that the data are well explained by a model using oxygen isotope exchange reactions. We propose that the oxygen isotope exchange occurs between APS and cytoplasmic water, and/or between sulfite and adenosine monophosphate (AMP) during APS formation. Model calculations show that cell external reoxidation of reduced sulfur species would require up to 3000 mol/m 3 of an oxidant at ODP Site 1130, which is incompatible with the sediment geochemical data. In addition, we show that the volumetric fluxes required to explain the observed δ18O data are on average 14 times higher than the volumetric sulfate reduction rates (SRR) obtained from inverse modeling of the porewater data. The ratio between the gross sulfate flux into the microbes and the net sulfate flux through the microbes is depth invariant, and independent of sulfide concentrations. This suggests that both fluxes are controlled by cell density and that cell-specific sulfate reduction rates remain constant with depth.

  13. Deterministic and stochastic responses of nonlinear systems

    NASA Astrophysics Data System (ADS)

    Abou-Rayan, Ashraf Mohamed

    The responses of nonlinear systems to both deterministic and stochastic excitations are discussed. For a single degree of freedom system, the response of a simply supported buckled beam to parametric excitations is investigated. Two types of excitations are examined: deterministic and random. For the nonlinear response to a harmonic axial load, the method of multiple scales is used to determine to second order the amplitude and phase modulation equations. Floquet theory is used to analyze the stability of periodic responses. The perturbation results are verified by integrating the governing equation using both digital and analog computers. For small excitation amplitudes, the analytical results are in good agreement with the numerical solutions. The large amplitude responses are investigated by using simulations on a digital computer and are compared with results obtained using an analog computer. For the stochastic response to a wide-band random excitation, the Gaussian and non-Gaussian closure schemes are used to determine the response statistics. The results are compared with those obtained from real-time analysis (analog-computer simulation). The normality assumption is examined. A comparison between the responses to deterministic and random excitation is presented. For two degree of freedom systems, two methods are used to study the response under the action of broad-band random excitations. The first method is applicable to systems having cubic nonlinearities. It involves an averaging approach to reduce the number of moment equations for the non-Gaussian closure scheme from 69 to 14 equations. The results are compared with those obtained from numerical integrations of the moment equations and the exact stationary solution of the Fokker-Planck-Komologorov equation. The second method is applicable to systems having quadratic and cubic nonlinearities. Stationary solutions of the moment equations are determined and their stability is ascertained by examining the

  14. Deterministic approaches to coherent diffractive imaging

    NASA Astrophysics Data System (ADS)

    Allen, L. J.; D'Alfonso, A. J.; Martin, A. V.; Morgan, A. J.; Quiney, H. M.

    2016-01-01

    In this review we will consider the retrieval of the wave at the exit surface of an object illuminated by a coherent probe from one or more measured diffraction patterns. These patterns may be taken in the near-field (often referred to as images) or in the far field (the Fraunhofer diffraction pattern, where the wave is the Fourier transform of that at the exit surface). The retrieval of the exit surface wave from such data is an inverse scattering problem. This inverse problem has historically been solved using nonlinear iterative methods, which suffer from convergence and uniqueness issues. Here we review deterministic approaches to obtaining the exit surface wave which ameliorate those problems.

  15. Deterministic phase slips in mesoscopic superconducting rings

    SciTech Connect

    Petković, Ivana; Lollo, A.; Glazman, L. I.; Harris, J. G. E.

    2016-11-24

    The properties of one-dimensional superconductors are strongly influenced by topological fluctuations of the order parameter, known as phase slips, which cause the decay of persistent current in superconducting rings and the appearance of resistance in superconducting wires. Despite extensive work, quantitative studies of phase slips have been limited by uncertainty regarding the order parameter’s free-energy landscape. Here we show detailed agreement between measurements of the persistent current in isolated flux-biased rings and Ginzburg–Landau theory over a wide range of temperature, magnetic field and ring size; this agreement provides a quantitative picture of the free-energy landscape. Furthermore, we also demonstrate that phase slips occur deterministically as the barrier separating two competing order parameter configurations vanishes. These results will enable studies of quantum and thermal phase slips in a well-characterized system and will provide access to outstanding questions regarding the nature of one-dimensional superconductivity.

  16. Deterministic polishing from theory to practice

    NASA Astrophysics Data System (ADS)

    Hooper, Abigail R.; Hoffmann, Nathan N.; Sarkas, Harry W.; Escolas, John; Hobbs, Zachary

    2015-10-01

    Improving predictability in optical fabrication can go a long way towards increasing profit margins and maintaining a competitive edge in an economic environment where pressure is mounting for optical manufacturers to cut costs. A major source of hidden cost is rework - the share of production that does not meet specification in the first pass through the polishing equipment. Rework substantially adds to the part's processing and labor costs as well as bottlenecks in production lines and frustration for managers, operators and customers. The polishing process consists of several interacting variables including: glass type, polishing pads, machine type, RPM, downforce, slurry type, baume level and even the operators themselves. Adjusting the process to get every variable under control while operating in a robust space can not only provide a deterministic polishing process which improves profitability but also produces a higher quality optic.

  17. Deterministic multi-zone ice accretion modeling

    NASA Technical Reports Server (NTRS)

    Yamaguchi, K.; Hansman, R. John, Jr.; Kazmierczak, Michael

    1991-01-01

    The focus here is on a deterministic model of the surface roughness transition behavior of glaze ice. The initial smooth/rough transition location, bead formation, and the propagation of the transition location are analyzed. Based on the hypothesis that the smooth/rough transition location coincides with the laminar/turbulent boundary layer transition location, a multizone model is implemented in the LEWICE code. In order to verify the effectiveness of the model, ice accretion predictions for simple cylinders calculated by the multizone LEWICE are compared to experimental ice shapes. The glaze ice shapes are found to be sensitive to the laminar surface roughness and bead thickness parameters controlling the transition location, while the ice shapes are found to be insensitive to the turbulent surface roughness.

  18. Deterministic remote preparation via the Brown state

    NASA Astrophysics Data System (ADS)

    Ma, Song-Ya; Gao, Cong; Zhang, Pei; Qu, Zhi-Guo

    2017-04-01

    We propose two deterministic remote state preparation (DRSP) schemes by using the Brown state as the entangled channel. Firstly, the remote preparation of an arbitrary two-qubit state is considered. It is worth mentioning that the construction of measurement bases plays a key role in our scheme. Then, the remote preparation of an arbitrary three-qubit state is investigated. The proposed schemes can be extended to controlled remote state preparation (CRSP) with unit success probabilities. At variance with the existing CRSP schemes via the Brown state, the derived schemes have no restriction on the coefficients, while the success probabilities can reach 100%. It means the success probabilities are greatly improved. Moreover, we pay attention to the DRSP in noisy environments under two important decoherence models, the amplitude-damping noise and phase-damping noise.

  19. Deterministic phase slips in mesoscopic superconducting rings

    NASA Astrophysics Data System (ADS)

    Petković, I.; Lollo, A.; Glazman, L. I.; Harris, J. G. E.

    2016-11-01

    The properties of one-dimensional superconductors are strongly influenced by topological fluctuations of the order parameter, known as phase slips, which cause the decay of persistent current in superconducting rings and the appearance of resistance in superconducting wires. Despite extensive work, quantitative studies of phase slips have been limited by uncertainty regarding the order parameter's free-energy landscape. Here we show detailed agreement between measurements of the persistent current in isolated flux-biased rings and Ginzburg-Landau theory over a wide range of temperature, magnetic field and ring size; this agreement provides a quantitative picture of the free-energy landscape. We also demonstrate that phase slips occur deterministically as the barrier separating two competing order parameter configurations vanishes. These results will enable studies of quantum and thermal phase slips in a well-characterized system and will provide access to outstanding questions regarding the nature of one-dimensional superconductivity.

  20. Deterministic phase slips in mesoscopic superconducting rings

    PubMed Central

    Petković, I.; Lollo, A.; Glazman, L. I.; Harris, J. G. E.

    2016-01-01

    The properties of one-dimensional superconductors are strongly influenced by topological fluctuations of the order parameter, known as phase slips, which cause the decay of persistent current in superconducting rings and the appearance of resistance in superconducting wires. Despite extensive work, quantitative studies of phase slips have been limited by uncertainty regarding the order parameter's free-energy landscape. Here we show detailed agreement between measurements of the persistent current in isolated flux-biased rings and Ginzburg–Landau theory over a wide range of temperature, magnetic field and ring size; this agreement provides a quantitative picture of the free-energy landscape. We also demonstrate that phase slips occur deterministically as the barrier separating two competing order parameter configurations vanishes. These results will enable studies of quantum and thermal phase slips in a well-characterized system and will provide access to outstanding questions regarding the nature of one-dimensional superconductivity. PMID:27882924

  1. Block variables for deterministic aperiodic sequences

    NASA Astrophysics Data System (ADS)

    Hörnquist, Michael

    1997-10-01

    We use the concept of block variables to obtain a measure of order/disorder for some one-dimensional deterministic aperiodic sequences. For the Thue - Morse sequence, the Rudin - Shapiro sequence and the period-doubling sequence it is possible to obtain analytical expressions in the limit of infinite sequences. For the Fibonacci sequence, we present some analytical results which can be supported by numerical arguments. It turns out that the block variables show a wide range of different behaviour, some of them indicating that some of the considered sequences are more `random' than other. However, the method does not give any definite answer to the question of which sequence is more disordered than the other and, in this sense, the results obtained are negative. We compare this with some other ways of measuring the amount of order/disorder in such systems, and there seems to be no direct correspondence between the measures.

  2. Deterministic-random separation in nonstationary regime

    NASA Astrophysics Data System (ADS)

    Abboud, D.; Antoni, J.; Sieg-Zieba, S.; Eltabach, M.

    2016-02-01

    In rotating machinery vibration analysis, the synchronous average is perhaps the most widely used technique for extracting periodic components. Periodic components are typically related to gear vibrations, misalignments, unbalances, blade rotations, reciprocating forces, etc. Their separation from other random components is essential in vibration-based diagnosis in order to discriminate useful information from masking noise. However, synchronous averaging theoretically requires the machine to operate under stationary regime (i.e. the related vibration signals are cyclostationary) and is otherwise jeopardized by the presence of amplitude and phase modulations. A first object of this paper is to investigate the nature of the nonstationarity induced by the response of a linear time-invariant system subjected to speed varying excitation. For this purpose, the concept of a cyclo-non-stationary signal is introduced, which extends the class of cyclostationary signals to speed-varying regimes. Next, a "generalized synchronous average'' is designed to extract the deterministic part of a cyclo-non-stationary vibration signal-i.e. the analog of the periodic part of a cyclostationary signal. Two estimators of the GSA have been proposed. The first one returns the synchronous average of the signal at predefined discrete operating speeds. A brief statistical study of it is performed, aiming to provide the user with confidence intervals that reflect the "quality" of the estimator according to the SNR and the estimated speed. The second estimator returns a smoothed version of the former by enforcing continuity over the speed axis. It helps to reconstruct the deterministic component by tracking a specific trajectory dictated by the speed profile (assumed to be known a priori).The proposed method is validated first on synthetic signals and then on actual industrial signals. The usefulness of the approach is demonstrated on envelope-based diagnosis of bearings in variable

  3. Academic Freedom's Thin Line: Web Site Challenges Perception of Academia as a Safe Place for the Exchange of Ideas, Opinions

    ERIC Educational Resources Information Center

    Hamilton, Kendra

    2004-01-01

    Luann Wright, founder and president of NoIndoctrination.org, a Web site devoted to policing professors accused of harassing conservative students in their classrooms, firmly believes that what she's doing is a public service. "The university should be a market place of ideas, a safe place to explore a variety of perspectives," she says. "'But I…

  4. Cre/lox-recombinase-mediated cassette exchange for reversible site-specific genomic targeting of the disease vector, Aedes aegypti

    USDA-ARS?s Scientific Manuscript database

    Site-specific genome modification is an important tool for mosquito functional genomics studies that help to uncover gene functions, identify gene regulatory elements, and perform comparative gene expression studies, all of which contribute to a better understanding of mosquito biology and are thus ...

  5. Water Relations and Gas Exchange of Loblolly Pine Seedlings Under Different Cultural Practices on Poorly Drained Sites in Arkansas

    Treesearch

    Mohd S. Rahman; Michael G. Messina; Richard F. Fisher

    2002-01-01

    Substantial forest acreage in the south-central U.S. is seasonally water-logged due to an underlying fragipan. Severely restricted drainage in the non-growing season leads to a reduced subsoil zone, which restricts root respiration. The same sites may also be subjected to summer drought. These climatic and edaphic problems may result in low seedling survival and...

  6. Ground motion following selection of SRS design basis earthquake and associated deterministic approach

    SciTech Connect

    Not Available

    1991-03-01

    This report summarizes the results of a deterministic assessment of earthquake ground motions at the Savannah River Site (SRS). The purpose of this study is to assist the Environmental Sciences Section of the Savannah River Laboratory in reevaluating the design basis earthquake (DBE) ground motion at SRS during approaches defined in Appendix A to 10 CFR Part 100. This work is in support of the Seismic Engineering Section's Seismic Qualification Program for reactor restart.

  7. Fisher-Wright model with deterministic seed bank and selection.

    PubMed

    Koopmann, Bendix; Müller, Johannes; Tellier, Aurélien; Živković, Daniel

    2017-04-01

    Seed banks are common characteristics to many plant species, which allow storage of genetic diversity in the soil as dormant seeds for various periods of time. We investigate an above-ground population following a Fisher-Wright model with selection coupled with a deterministic seed bank assuming the length of the seed bank is kept constant and the number of seeds is large. To assess the combined impact of seed banks and selection on genetic diversity, we derive a general diffusion model. The applied techniques outline a path of approximating a stochastic delay differential equation by an appropriately rescaled stochastic differential equation. We compute the equilibrium solution of the site-frequency spectrum and derive the times to fixation of an allele with and without selection. Finally, it is demonstrated that seed banks enhance the effect of selection onto the site-frequency spectrum while slowing down the time until the mutation-selection equilibrium is reached. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Magnetism and site exchange in CuFeAs and CuFeSb: A microscopic and theoretical investigation

    NASA Astrophysics Data System (ADS)

    Kamusella, Sirko; Klauss, Hans-Henning; Thakur, Gohil S.; Haque, Zeba; Gupta, Laxmi C.; Ganguli, Ashok K.; Kraft, Inga; Burkhardt, Ulrich; Rosner, Helge; Luetkens, Hubertus; Lynn, Jeffrey W.; Zhao, Yang

    2017-03-01

    We have investigated the magnetic ground state of CuFeAs and CuFeSb by means of 57Fe-Mössbauer spectroscopy, muon spin rotation/relaxation (μ SR ), neutron diffraction, and electronic structure calculations. Both materials share the 111-LiFeAs crystal structure and are closely related to the class of iron-based superconductors. In both materials there is a considerable occupancy of the Cu site by Fe, which leads to ferromagnetic moments, which are magnetically strongly coupled to the regular Fe site magnetism. Our study shows that CuFeAs is close to an antiferromagnetic instability, whereas a ferromagnetic ground state is observed in CuFeSb, supporting theoretical models of anion height driven magnetism.

  9. Deterministic-statistical analysis of a structural-acoustic system

    NASA Astrophysics Data System (ADS)

    Wang, Xu

    2011-09-01

    The purpose of this paper is to develop an efficient approach for vibro-acoustic analysis. Being simple and representative, an exited plate-acoustic system is selected as a validation case for the vibro-acoustic analysis as the system presents one two-dimensional statistical component (modal dense structure panel—plate) connected to the other component (deterministic acoustic volume—cavity) through the area junction over a surface domain, rather than at a line boundary. Potential industrial applications of the system vibro-acoustic analysis would be in acoustic modelling of vehicle body panels such as the cabin roof panel, and door panels for the boom noise analysis. A new deterministic-statistical analysis approach is proposed from a combination or hybrid of deterministic analysis and statistical energy analysis (SEA) approaches. General theory of the new deterministic-statistical analysis approach is introduced. The main advantage of the new deterministic-statistical analysis approach is its possibility in place of the time consuming Monte Carlo simulation. In order to illustrate and validate the new deterministic-statistical analysis approach, three approaches of the deterministic analysis, the statistical energy analysis and the new deterministic-statistical analysis are then applied to conduct the plate-acoustic system modelling, and their results will be compared. The vibro-acoustic energy coupling characteristic of the plate-acoustic system will be studied. The most suitable frequency range for the new approach will be identified in consideration of computational accuracy, information and speed.

  10. Non-Deterministic Context and Aspect Choice in Russian.

    ERIC Educational Resources Information Center

    Koubourlis, Demetrius J.

    In any given context, a Russian verb form may be either perfective or imperfective. Perfective aspect signals the completion or result of an action, whereas imperfective does not. Aspect choice is a function of context, and two types of context are distinguished: deterministic and non-deterministic. This paper is part of a larger study whose aim…

  11. Aging in Subdiffusion Generated by a Deterministic Dynamical System

    NASA Astrophysics Data System (ADS)

    Barkai, Eli

    2003-03-01

    We investigate aging behavior in a simple dynamical system: a nonlinear map which generates subdiffusion deterministically. Asymptotic behaviors of the diffusion process are described using aging continuous time random walks. We show how these processes are described by an aging diffusion equation which is of fractional order. Our work demonstrates that aging behavior can be found in deterministic low dimensional dynamical systems.

  12. Use of deterministic models in sports and exercise biomechanics research.

    PubMed

    Chow, John W; Knudson, Duane V

    2011-09-01

    A deterministic model is a modeling paradigm that determines the relationships between a movement outcome measure and the biomechanical factors that produce such a measure. This review provides an overview of the use of deterministic models in biomechanics research, a historical summary of this research, and an analysis of the advantages and disadvantages of using deterministic models. The deterministic model approach has been utilized in technique analysis over the last three decades, especially in swimming, athletics field events, and gymnastics. In addition to their applications in sports and exercise biomechanics, deterministic models have been applied successfully in research on selected motor skills. The advantage of the deterministic model approach is that it helps to avoid selecting performance or injury variables arbitrarily and to provide the necessary theoretical basis for examining the relative importance of various factors that influence the outcome of a movement task. Several disadvantages of deterministic models, such as the use of subjective measures for the performance outcome, were discussed. It is recommended that exercise and sports biomechanics scholars should consider using deterministic models to help identify meaningful dependent variables in their studies.

  13. Ion exchanger in the brain: Quantitative analysis of perineuronally fixed anionic binding sites suggests diffusion barriers with ion sorting properties

    PubMed Central

    Morawski, Markus; Reinert, Tilo; Meyer-Klaucke, Wolfram; Wagner, Friedrich E.; Tröger, Wolfgang; Reinert, Anja; Jäger, Carsten; Brückner, Gert; Arendt, Thomas

    2015-01-01

    Perineuronal nets (PNs) are a specialized form of brain extracellular matrix, consisting of negatively charged glycosaminoglycans, glycoproteins and proteoglycans in the direct microenvironment of neurons. Still, locally immobilized charges in the tissue have not been accessible so far to direct observations and quantifications. Here, we present a new approach to visualize and quantify fixed charge-densities on brain slices using a focused proton-beam microprobe in combination with ionic metallic probes. For the first time, we can provide quantitative data on the distribution and net amount of pericellularly fixed charge-densities, which, determined at 0.4–0.5 M, is much higher than previously assumed. PNs, thus, represent an immobilized ion exchanger with ion sorting properties high enough to partition mobile ions in accord with Donnan-equilibrium. We propose that fixed charge-densities in the brain are involved in regulating ion mobility, the volume fraction of extracellular space and the viscosity of matrix components. PMID:26621052

  14. Optimal Deterministic Ring Exploration with Oblivious Asynchronous Robots

    NASA Astrophysics Data System (ADS)

    Lamani, Anissa; Potop-Butucaru, Maria Gradinariu; Tixeuil, Sébastien

    We consider the problem of exploring an anonymous unoriented ring of size n by k identical, oblivious, asynchronous mobile robots, that are unable to communicate, yet have the ability to sense their environment and take decisions based on their local view. Previous works in this weak scenario prove that k must not divide n for a deterministic solution to exist. Also, it is known that the minimum number of robots (either deterministic or probabilistic) to explore a ring of size n is 4. An upper bound of 17 robots holds in the deterministic case while 4 probabilistic robots are sufficient. In this paper, we close the complexity gap in the deterministic setting, by proving that no deterministic exploration is feasible with less than five robots, and that five robots are sufficient for any n that is coprime with five. Our protocol completes exploration in O(n) robot moves, which is also optimal.

  15. Deterministic Controlled Bidirectional Remote State Preparation Via a Six-qubit Maximally Entangled State

    NASA Astrophysics Data System (ADS)

    Zhang, Da; Zha, Xin-Wei; Duan, Ya-Jun; Wei, Zhao Hui

    2016-01-01

    It is presented that a bidirectional remote state preparation scheme uses six-qubit maximally entangled state. In this paper we propose a new protocol which allows two distant parties to simultaneously and deterministically exchange their states under controling of a third remote party. In such a way, it cannot be successful without permission of the controller. Based on the von Neumann measurement and Bell state measurement, Alice can transmit an arbitrary single qubit state to Bob, while Bob can transmit an arbitrary single qubit state to Alice via the control of the supervisor Charlie.

  16. Effect of exchange of the cysteine molybdenum ligand with selenocysteine on the structure and function of the active site in human sulfite oxidase.

    PubMed

    Reschke, Stefan; Niks, Dimitri; Wilson, Heather; Sigfridsson, Kajsa G V; Haumann, Michael; Rajagopalan, K V; Hille, Russ; Leimkühler, Silke

    2013-11-19

    Sulfite oxidase (SO) is an essential molybdoenzyme for humans, catalyzing the final step in the degradation of sulfur-containing amino acids and lipids, which is the oxidation of sulfite to sulfate. The catalytic site of SO consists of a molybdenum ion bound to the dithiolene sulfurs of one molybdopterin (MPT) molecule, carrying two oxygen ligands, and is further coordinated by the thiol sulfur of a conserved cysteine residue. We have exchanged four non-active site cysteines in the molybdenum cofactor (Moco) binding domain of human SO (SOMD) with serine using site-directed mutagenesis. This facilitated the specific replacement of the active site Cys207 with selenocysteine during protein expression in Escherichia coli. The sulfite oxidizing activity (kcat/KM) of SeSOMD4Ser was increased at least 1.5-fold, and the pH optimum was shifted to a more acidic value compared to those of SOMD4Ser and SOMD4Cys(wt). X-ray absorption spectroscopy revealed a Mo(VI)-Se bond length of 2.51 Å, likely caused by the specific binding of Sec207 to the molybdenum, and otherwise rather similar square-pyramidal S/Se(Cys)O2Mo(VI)S2(MPT) site structures in the three constructs. The low-pH form of the Mo(V) electron paramagnetic resonance (EPR) signal of SeSOMD4Ser was altered compared to those of SOMD4Ser and SOMD4Cys(wt), with g1 in particular shifted to a lower magnetic field, due to the Se ligation at the molybdenum. In contrast, the Mo(V) EPR signal of the high-pH form was unchanged. The substantially stronger effect of substituting selenocysteine for cysteine at low pH as compared to high pH is most likely due to the decreased covalency of the Mo-Se bond.

  17. Exchange of active site residues alters substrate specificity in extremely thermostable β-glycosidase from Thermococcus kodakarensis KOD1.

    PubMed

    Hwa, Kuo Yuan; Subramani, Boopathi; Shen, San-Tai; Lee, Yu-May

    2015-09-01

    β-Glycosidase from Thermococcus kodakarensis KOD1 is a hyperthermophilic enzyme with β-glucosidase, β-mannosidase, β-fucosidase and β-galactosidase activities. Sequence alignment with other β-glycosidases from hyperthermophilic archaea showed two unique active site residues, Gln77 and Asp206. These residues were represented by Arg and Asp in all other hyperthermophilic β-glycosidases. The two active site residues were mutated to Q77R, D206N and D206Q, to study the role of these unique active site residues in catalytic activity and to alter the substrate specificity to enhance its β-glucosidase activity. The secondary structure analysis of all the mutants showed no change in their structure and exhibited in similar conformation like wild-type as they all existed in dimer form in an SDS-PAGE under non-reducing conditions. Q77R and D206Q affected the catalytic activity of the enzyme whereas the D206N altered the catalytic turn-over rate for glucosidase and mannosidase activities with fucosidase activity remain unchanged. Gln77 is reported to interact with catalytic nucleophile and Asp206 with axial C2-hydroxyl group of substrates. Q77R might have made some changes in three dimensional structure due to its electrostatic effect and lost its catalytic activity. The extended side chains of D206Q is predicted to affect the substrate binding during catalysis. The high-catalytic turn-over rate by D206N for β-glucosidase activity makes it a useful enzyme in cellulose degradation at high temperatures. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. Quantum Monte Carlo study of hard-core bosons in a pyrochlore lattice with six-site ring-exchange interactions

    NASA Astrophysics Data System (ADS)

    Tieman, Catherine; Rousseau, Valery

    Highly frustrated quantum systems on lattices can exhibit a wide variety of phases. In addition to the usual Mott insulating and superfluid phases, these systems can also produce some so-called ``exotic phases'', such as super-solid and valence-bond-solid phases. An example of particularly frustrated lattice is the pyrochlore structure, which is formed by corner-sharing tetrahedrons. Many real materials adopt this structure, for instance the crystal Cd2 Re2O7 , which exhibits superconducting properties. However, the complex structure of these materials combined with the complexity of the dominant interactions that describe them makes their analytical study difficult. Also, approximate methods, such as mean-field theory, fail to give a correct description of these systems. In this work, we report on the first exact quantum Monte Carlo study of a model of hard-core bosons in a pyrochlore lattice with six-site ring-exchange interactions, using the Stochastic Green Function (SGF) algorithm. We analyze the superfluid density and the structure factor as functions of the filling and ring-exchange interaction strength, and we map out the ground state phase diagram.

  19. Deterministic Factors Overwhelm Stochastic Environmental Fluctuations as Drivers of Jellyfish Outbreaks.

    PubMed

    Benedetti-Cecchi, Lisandro; Canepa, Antonio; Fuentes, Veronica; Tamburello, Laura; Purcell, Jennifer E; Piraino, Stefano; Roberts, Jason; Boero, Ferdinando; Halpin, Patrick

    2015-01-01

    Jellyfish outbreaks are increasingly viewed as a deterministic response to escalating levels of environmental degradation and climate extremes. However, a comprehensive understanding of the influence of deterministic drivers and stochastic environmental variations favouring population renewal processes has remained elusive. This study quantifies the deterministic and stochastic components of environmental change that lead to outbreaks of the jellyfish Pelagia noctiluca in the Mediterranen Sea. Using data of jellyfish abundance collected at 241 sites along the Catalan coast from 2007 to 2010 we: (1) tested hypotheses about the influence of time-varying and spatial predictors of jellyfish outbreaks; (2) evaluated the relative importance of stochastic vs. deterministic forcing of outbreaks through the environmental bootstrap method; and (3) quantified return times of extreme events. Outbreaks were common in May and June and less likely in other summer months, which resulted in a negative relationship between outbreaks and SST. Cross- and along-shore advection by geostrophic flow were important concentrating forces of jellyfish, but most outbreaks occurred in the proximity of two canyons in the northern part of the study area. This result supported the recent hypothesis that canyons can funnel P. noctiluca blooms towards shore during upwelling. This can be a general, yet unappreciated mechanism leading to outbreaks of holoplanktonic jellyfish species. The environmental bootstrap indicated that stochastic environmental fluctuations have negligible effects on return times of outbreaks. Our analysis emphasized the importance of deterministic processes leading to jellyfish outbreaks compared to the stochastic component of environmental variation. A better understanding of how environmental drivers affect demographic and population processes in jellyfish species will increase the ability to anticipate jellyfish outbreaks in the future.

  20. Deterministic Factors Overwhelm Stochastic Environmental Fluctuations as Drivers of Jellyfish Outbreaks

    PubMed Central

    Benedetti-Cecchi, Lisandro; Canepa, Antonio; Fuentes, Veronica; Tamburello, Laura; Purcell, Jennifer E.; Piraino, Stefano; Roberts, Jason; Boero, Ferdinando; Halpin, Patrick

    2015-01-01

    Jellyfish outbreaks are increasingly viewed as a deterministic response to escalating levels of environmental degradation and climate extremes. However, a comprehensive understanding of the influence of deterministic drivers and stochastic environmental variations favouring population renewal processes has remained elusive. This study quantifies the deterministic and stochastic components of environmental change that lead to outbreaks of the jellyfish Pelagia noctiluca in the Mediterranen Sea. Using data of jellyfish abundance collected at 241 sites along the Catalan coast from 2007 to 2010 we: (1) tested hypotheses about the influence of time-varying and spatial predictors of jellyfish outbreaks; (2) evaluated the relative importance of stochastic vs. deterministic forcing of outbreaks through the environmental bootstrap method; and (3) quantified return times of extreme events. Outbreaks were common in May and June and less likely in other summer months, which resulted in a negative relationship between outbreaks and SST. Cross- and along-shore advection by geostrophic flow were important concentrating forces of jellyfish, but most outbreaks occurred in the proximity of two canyons in the northern part of the study area. This result supported the recent hypothesis that canyons can funnel P. noctiluca blooms towards shore during upwelling. This can be a general, yet unappreciated mechanism leading to outbreaks of holoplanktonic jellyfish species. The environmental bootstrap indicated that stochastic environmental fluctuations have negligible effects on return times of outbreaks. Our analysis emphasized the importance of deterministic processes leading to jellyfish outbreaks compared to the stochastic component of environmental variation. A better understanding of how environmental drivers affect demographic and population processes in jellyfish species will increase the ability to anticipate jellyfish outbreaks in the future. PMID:26485278

  1. On-site monitoring of atomic density number for an all-optical atomic magnetometer based on atomic spin exchange relaxation.

    PubMed

    Zhang, Hong; Zou, Sheng; Chen, Xiyuan; Ding, Ming; Shan, Guangcun; Hu, Zhaohui; Quan, Wei

    2016-07-25

    We present a method for monitoring the atomic density number on site based on atomic spin exchange relaxation. When the spin polarization P ≪ 1, the atomic density numbers could be estimated by measuring magnetic resonance linewidth in an applied DC magnetic field by using an all-optical atomic magnetometer. The density measurement results showed that the experimental results the theoretical predictions had a good consistency in the investigated temperature range from 413 K to 463 K, while, the experimental results were approximately 1.5 ∼ 2 times less than the theoretical predictions estimated from the saturated vapor pressure curve. These deviations were mainly induced by the radiative heat transfer efficiency, which inevitably leaded to a lower temperature in cell than the setting temperature.

  2. Non-homologous end joining: Common interaction sites and exchange of multiple factors in the DNA repair process.

    PubMed

    Rulten, Stuart L; Grundy, Gabrielle J

    2017-03-01

    Non-homologous end-joining (NHEJ) is the dominant means of repairing chromosomal DNA double strand breaks (DSBs), and is essential in human cells. Fifteen or more proteins can be involved in the detection, signalling, synapsis, end-processing and ligation events required to repair a DSB, and must be assembled in the confined space around the DNA ends. We review here a number of interaction points between the core NHEJ components (Ku70, Ku80, DNA-PKcs, XRCC4 and Ligase IV) and accessory factors such as kinases, phosphatases, polymerases and structural proteins. Conserved protein-protein interaction sites such as Ku-binding motifs (KBMs), XLF-like motifs (XLMs), FHA and BRCT domains illustrate that different proteins compete for the same binding sites on the core machinery, and must be spatially and temporally regulated. We discuss how post-translational modifications such as phosphorylation, ADP-ribosylation and ubiquitinylation may regulate sequential steps in the NHEJ pathway or control repair at different types of DNA breaks.

  3. Intermediate-Scale Ion Exchange Removal of Technetium from Savannah River Site Tank 44 F Supernate Solution

    SciTech Connect

    King, W.D.

    2000-08-23

    As part of the Hanford River Protection Project waste Treatment facility design contracted to BNFL, Inc., a sample of Savannah River Site (SRS) Tank 4 F waste solution was treated for the removal of technetium (as pertechnetate ion). Interest in treating the SRS sample for Tc removal resulted from the similarity between the Tank 44 F supernate composition and Hanford Envelope A supernate solutions. The Tank 44 F sample was available as a by-product of tests already conducted at the Savannah River Technology Center (SRTC) as part of the Alternative Salt Disposition Program for treatment of SRS wastes. Testing of the SRS sample resulted in considerable cost-savings since it was not necessary to ship a sample of Hanford supernate to SRS.

  4. Deterministic transfer function for transionospheric propagation

    NASA Astrophysics Data System (ADS)

    Roussel-Dupre, R.; Argo, P.

    Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25 - 175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = omega(sub pe)(exp 2)/(omega)(exp 2) where X is assumed to be small compared to one, (omega)(sub pe) is the peak plasma frequency of the ionosphere, and omega is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to, venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.

  5. Deterministic phase slips in mesoscopic superconducting rings

    DOE PAGES

    Petković, Ivana; Lollo, A.; Glazman, L. I.; ...

    2016-11-24

    The properties of one-dimensional superconductors are strongly influenced by topological fluctuations of the order parameter, known as phase slips, which cause the decay of persistent current in superconducting rings and the appearance of resistance in superconducting wires. Despite extensive work, quantitative studies of phase slips have been limited by uncertainty regarding the order parameter’s free-energy landscape. Here we show detailed agreement between measurements of the persistent current in isolated flux-biased rings and Ginzburg–Landau theory over a wide range of temperature, magnetic field and ring size; this agreement provides a quantitative picture of the free-energy landscape. Furthermore, we also demonstrate thatmore » phase slips occur deterministically as the barrier separating two competing order parameter configurations vanishes. These results will enable studies of quantum and thermal phase slips in a well-characterized system and will provide access to outstanding questions regarding the nature of one-dimensional superconductivity.« less

  6. Deterministically Driven Avalanche Models of Solar Flares

    NASA Astrophysics Data System (ADS)

    Strugarek, Antoine; Charbonneau, Paul; Joseph, Richard; Pirot, Dorian

    2014-08-01

    We develop and discuss the properties of a new class of lattice-based avalanche models of solar flares. These models are readily amenable to a relatively unambiguous physical interpretation in terms of slow twisting of a coronal loop. They share similarities with other avalanche models, such as the classical stick-slip self-organized critical model of earthquakes, in that they are driven globally by a fully deterministic energy-loading process. The model design leads to a systematic deficit of small-scale avalanches. In some portions of model space, mid-size and large avalanching behavior is scale-free, being characterized by event size distributions that have the form of power-laws with index values, which, in some parameter regimes, compare favorably to those inferred from solar EUV and X-ray flare data. For models using conservative or near-conservative redistribution rules, a population of large, quasiperiodic avalanches can also appear. Although without direct counterparts in the observational global statistics of flare energy release, this latter behavior may be relevant to recurrent flaring in individual coronal loops. This class of models could provide a basis for the prediction of large solar flares.

  7. Quality control in a deterministic manufacturing environment

    SciTech Connect

    Barkman, W.E.; Babelay, E.F.; De Mint, P.D.; Lewis, J.C.; Woodard, L.M.

    1985-01-24

    An approach for establishing quality control in processes which exhibit undesired continual or intermittent excursions in key process parameters is discussed. The method is called deterministic manufacturing, and it is designed to employ automatic monitoring of the key process variables for process certification, but utilizes only sample certification of the process output to verify the validity of the measurement process. The system utilizes a local minicomputer to sample the appropriate process parameters that describe the condition of the machine tool, the cutting process, and the computer numerical control system. Sampled data are pre-processed by the minicomputer and then sent to a host computer that maintains a permanent data base describing the manufacturing conditions for each work piece. Parts are accepted if the various parameters remain within the required limits during the machining cycle. The need for additional actions is flagged if limits are exceeded. With this system it is possible to retrospectively examine the process status just prior to the occurrence of a problem. (LEW)

  8. Analysis of pinching in deterministic particle separation

    NASA Astrophysics Data System (ADS)

    Risbud, Sumedh; Luo, Mingxiang; Frechette, Joelle; Drazer, German

    2011-11-01

    We investigate the problem of spherical particles vertically settling parallel to Y-axis (under gravity), through a pinching gap created by an obstacle (spherical or cylindrical, center at the origin) and a wall (normal to X axis), to uncover the physics governing microfluidic separation techniques such as deterministic lateral displacement and pinched flow fractionation: (1) theoretically, by linearly superimposing the resistances offered by the wall and the obstacle separately, (2) computationally, using the lattice Boltzmann method for particulate systems and (3) experimentally, by conducting macroscopic experiments. Both, theory and simulations, show that for a given initial separation between the particle centre and the Y-axis, presence of a wall pushes the particles closer to the obstacle, than its absence. Experimentally, this is expected to result in an early onset of the short-range repulsive forces caused by solid-solid contact. We indeed observe such an early onset, which we quantify by measuring the asymmetry in the trajectories of the spherical particles around the obstacle. This work is partially supported by the National Science Foundation Grant Nos. CBET- 0731032, CMMI-0748094, and CBET-0954840.

  9. Substrate specificity engineering of beta-mannosidase and beta-glucosidase from Pyrococcus by exchange of unique active site residues.

    PubMed

    Kaper, Thijs; van Heusden, Hester H; van Loo, Bert; Vasella, Andrea; van der Oost, John; de Vos, Willem M

    2002-03-26

    A beta-mannosidase gene (PH0501) was identified in the Pyrococcus horikoshii genome and cloned and expressed in E. coli. The purified enzyme (BglB) was most specific for the hydrolysis of p-nitrophenyl-beta-D-mannopyranoside (pNP-Man) (Km: 0.44 mM) with a low turnover rate (kcat: 4.3 s(-1)). The beta-mannosidase has been classified as a member of family 1 of glycoside hydrolases. Sequence alignments and homology modeling showed an apparent conservation of its active site region with, remarkably, two unique active site residues, Gln77 and Asp206. These residues are an arginine and asparagine residue in all other known family 1 enzymes, which interact with the catalytic nucleophile and equatorial C2-hydroxyl group of substrates, respectively. The unique residues of P. horikoshii BglB were introduced in the highly active beta-glucosidase CelB of Pyrococcus furiosus and vice versa, yielding two single and one double mutant for each enzyme. In CelB, both substitutions R77Q and N206D increased the specificity for mannosides and reduced hydrolysis rates 10-fold. In contrast, BglB D206N showed 10-fold increased hydrolysis rates and 35-fold increased affinity for the hydrolysis of glucosides. In combination with inhibitor studies, it was concluded that the substituted residues participate in the ground-state binding of substrates with an equatorial C2-hydroxyl group, but contribute most to transition-state stabilization. The unique activity profile of BglB seems to be caused by an altered interaction between the enzyme and C2-hydroxyl of the substrate and a specifically increased affinity for mannose that results from Asp206.

  10. Are Landscape Hierarchies of Groundwater-Surface Water Exchange Patterning Important in Spawning Site Selection by Atlantic Salmon (Salmo salar L.,)?

    NASA Astrophysics Data System (ADS)

    Grant, J. D.; Soulsby, C.; Malcolm, I. A.; Gibbins, C.

    2007-12-01

    The Atlantic salmon's (Salmo salar L.,) native Scottish, headwater spawning grounds, can be viewed as dynamic hot spots of biological productivity set within a hierarchical landscape sculpted by complex physico-chemical processes. Traditionally controls on female spawning site selection, have mainly been attributed to the sedimentary and hydraulic characteristics of available spawning habitat. In the UK, the influence of physico-chemical landscape hierarchies on spawning site selection is poorly understood. This study aims to provide a preliminary insight into the importance stream hydrochemistry has at different hierarchical scales, on spawning site selection by Atlantic salmon in a Scottish braided river system. During the 2005 and 2006 spawning seasons, intensive surveys of dissolved oxygen, alkalinity, trace metals and continuous temperature monitoring were undertaken under high and low flow conditions, in the surface water network of the floodplain reaches. Using GPS data within a GIS framework, these data were related to the locations utilised by spawning fish surveyed on a daily basis in each year. Results indicated that patterns of groundwater - surface water exchange were spatially and temporally dynamic, occurring at a range of scales across the channel floodplain system. A hierarchy of channel types could be differentiated on the basis of contrasting surface water quality and source water characteristics. These included channels dominated by soures such as groundwater, hillslope drainage and main-stem river water. Although most channels contained good hydraulic and sedimentary conditions, spawning was concentrated in those locations which displayed strong chemical groundwater signatures. In 2005: 64 % and 2006: 44 % spawning occurred in groundwater channel types. This study suggests that GW-SW interaction hierarchies may play an important role in determining site selection by spawning Atlantic salmon and sea trout.

  11. Stochastic and Deterministic Assembly Processes in Subsurface Microbial Communities

    SciTech Connect

    Stegen, James C.; Lin, Xueju; Konopka, Allan; Fredrickson, Jim K.

    2012-03-29

    A major goal of microbial community ecology is to understand the forces that structure community composition. Deterministic selection by specific environmental factors is sometimes important, but in other cases stochastic or ecologically neutral processes dominate. Lacking is a unified conceptual framework aiming to understand why deterministic processes dominate in some contexts but not others. Here we work towards such a framework. By testing predictions derived from general ecological theory we aim to uncover factors that govern the relative influences of deterministic and stochastic processes. We couple spatiotemporal data on subsurface microbial communities and environmental parameters with metrics and null models of within and between community phylogenetic composition. Testing for phylogenetic signal in organismal niches showed that more closely related taxa have more similar habitat associations. Community phylogenetic analyses further showed that ecologically similar taxa coexist to a greater degree than expected by chance. Environmental filtering thus deterministically governs subsurface microbial community composition. More importantly, the influence of deterministic environmental filtering relative to stochastic factors was maximized at both ends of an environmental variation gradient. A stronger role of stochastic factors was, however, supported through analyses of phylogenetic temporal turnover. While phylogenetic turnover was on average faster than expected, most pairwise comparisons were not themselves significantly non-random. The relative influence of deterministic environmental filtering over community dynamics was elevated, however, in the most temporally and spatially variable environments. Our results point to general rules governing the relative influences of stochastic and deterministic processes across micro- and macro-organisms.

  12. Traffic chaotic dynamics modeling and analysis of deterministic network

    NASA Astrophysics Data System (ADS)

    Wu, Weiqiang; Huang, Ning; Wu, Zhitao

    2016-07-01

    Network traffic is an important and direct acting factor of network reliability and performance. To understand the behaviors of network traffic, chaotic dynamics models were proposed and helped to analyze nondeterministic network a lot. The previous research thought that the chaotic dynamics behavior was caused by random factors, and the deterministic networks would not exhibit chaotic dynamics behavior because of lacking of random factors. In this paper, we first adopted chaos theory to analyze traffic data collected from a typical deterministic network testbed — avionics full duplex switched Ethernet (AFDX, a typical deterministic network) testbed, and found that the chaotic dynamics behavior also existed in deterministic network. Then in order to explore the chaos generating mechanism, we applied the mean field theory to construct the traffic dynamics equation (TDE) for deterministic network traffic modeling without any network random factors. Through studying the derived TDE, we proposed that chaotic dynamics was one of the nature properties of network traffic, and it also could be looked as the action effect of TDE control parameters. A network simulation was performed and the results verified that the network congestion resulted in the chaotic dynamics for a deterministic network, which was identical with expectation of TDE. Our research will be helpful to analyze the traffic complicated dynamics behavior for deterministic network and contribute to network reliability designing and analysis.

  13. Air-surface exchange of nonmethane organic compounds at a grassland site: Seasonal variations and stressed emissions

    NASA Astrophysics Data System (ADS)

    Fukui, Yoshiko; Doskey, Paul V.

    1998-06-01

    Emissions of nonmethane organic compounds (NMOCs) were measured by a static enclosure technique at a grassland site in the midwestern United States during the growing seasons over a 2-year period. A mixture of nonmethane hydrocarbons (NMHCs) and oxygenated hydrocarbons (OxHCs) was emitted from the surface at rates exhibiting large seasonal and year-to-year variations. The average emission rate (and standard error) of the total NMOCs around noontime on sunny days during the growing seasons for the 2-year period was 1,300±170 μg m-2 h-1 (mass of the total NMOCs per area of enclosed soil surface per hour) or 5.5±0.9 μg g-1 h-1 (mass of the total NMOCs per mass of dry plant biomass in an enclosure per hour), with about 10% and 70% of the emissions being composed of tentatively identified NMHCs and OxHCs, respectively. Methanol was apparently derived from both the soil and vegetation and exhibited an average emission rate of 460±73 μg m-2 h-1 (1.4±0.2 μg g-1 h-1), which was the largest emission among the NMOCs. The year-to-year variation in the precipitation pattern greatly affected the NMOC emission rates. Emission rates normalized to biomass density exhibited a linear decrease as the growing season progressed. The emission rates of some NMOCs, particularly the OxHCs, from vegetation subjected to hypoxia, frost, and physical stresses were significantly greater than the average values observed at the site. Emissions of monoterpenes (α- and β-pinene, limonene, and myrcene) and cis-3-hexen-l-ol were accelerated during the flowering of the plants and were much greater than those predicted by algorithms that correlated emission rates with temperature. Herbaceous vegetation is estimated to contribute about 40% and 50% of the total NMOC and monoterpene emissions, respectively, in grasslands; the remaining contributions are from woody species within grasslands. Contributions of isoprene emissions from herbaceous vegetation in grasslands are negligible. Grasslands are

  14. Air-surface exchange of nonmethane organic compounds at a Grassland site: seasonal variations and stressed emissions.

    SciTech Connect

    Fukui, Y.; Doskey, P. V.; Environmental Research

    1998-06-20

    Emissions of nonmethane organic compounds (NMOCs) were measured by a static enclosure technique at a grassland site in the Midwestern United States during the growing seasons over a 2-year period. A mixture of nonmethane hydrocarbons (NMHCs) and oxygenated hydrocarbons (OxHCs) was emitted from the surface at rates exhibiting large seasonal and year-to-year variations. The average emission rate (and standard error) of the total NMOCs around noontime on sunny days during the growing seasons for the 2-year period was 1,300 {+-} 170 {micro}g m-2 h-1 (mass of the total NMOCs per area of enclosed soil surface per hour) or 5.5 {+-} 0.9 {micro}g g-1 h-1 (mass of the total NMOCs per mass of dry plant biomass in an enclosure per hour), with about 10% and 70% of the emissions being composed of tentatively identified NMHCs and OxHCs, respectively. Methanol was apparently derived from both the soil and vegetation and exhibited an average emission rate of 460 {+-} 73 {micro}g m-2 h-1 (1.4 {+-} 0.2 {micro}g g-1 h-1), which was the largest emission among the NMOCs. The year-to-year variation in the precipitation pattern greatly affected the NMOC emission rates. Emission rates normalized to biomass density exhibited a linear decrease as the growing season progressed. The emission rates of some NMOCs, particularly the OxHCs, from vegetation subjected to hypoxia, frost, and physical stresses were significantly greater than the average values observed at the site. Emissions of monoterpenes (a- and {beta}-pinene, limonene, and myrcene) and cis-3-hexen-1-ol were accelerated during the flowering of the plants and were much greater than those predicted by algorithms that correlated emission rates with temperature. Herbaceous vegetation is estimated to contribute about 40% and 50% of the total NMOC and monoterpene emissions, respectively, in grasslands; the remaining contributions are from woody species within grasslands. Contributions of isoprene emissions from herbaceous vegetation in

  15. Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

    DOEpatents

    Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E. , Guillorn, Michael A.; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

    2011-05-17

    Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. A method includes depositing a catalyst particle on a surface of a substrate to define a deterministically located position; growing an aligned elongated nanostructure on the substrate, an end of the aligned elongated nanostructure coupled to the substrate at the deterministically located position; coating the aligned elongated nanostructure with a conduit material; removing a portion of the conduit material to expose the catalyst particle; removing the catalyst particle; and removing the elongated nanostructure to define a nanoconduit.

  16. Surface plasmon field enhancements in deterministic aperiodic structures.

    PubMed

    Shugayev, Roman

    2010-11-22

    In this paper we analyze optical properties and plasmonic field enhancements in large aperiodic nanostructures. We introduce extension of Generalized Ohm's Law approach to estimate electromagnetic properties of Fibonacci, Rudin-Shapiro, cluster-cluster aggregate and random deterministic clusters. Our results suggest that deterministic aperiodic structures produce field enhancements comparable to random morphologies while offering better understanding of field localizations and improved substrate design controllability. Generalized Ohm's law results for deterministic aperiodic structures are in good agreement with simulations obtained using discrete dipole method.

  17. Acyl-biotinyl exchange chemistry and mass spectrometry-based analysis of palmitoylation sites of in vitro palmitoylated rat brain tubulin.

    PubMed

    Zhao, Zhiqiang; Hou, Junjie; Xie, Zhensheng; Deng, Jianwei; Wang, Xiaoming; Chen, Danfang; Yang, Fuquan; Gong, Weimin

    2010-11-01

    Research has shown that the palmitoyl group of α-tubulin mediates the hydrophobic interaction between microtubules and intracellular membranes and that palmitoylated tubulin plays a role in signal transduction. There are 20 cysteine residues per α/β tubulin heterodimer. C376 of α-tubulin was reported to be predominantly palmitoylated and C20, C213 and C305 of α-tubulin were palmitoylated at lower levels. The previous method used for the analysis of the palmitoylation sites on α-tubulin was based on ³H-labeling, enzymolysis, purification and sequencing. This approach, although efficient, is laborious. Mass spectrometry (MS), especially tandem MS, has been shown to be a successful method for identification of various post-translational modifications of proteins. We report here a convenient MS-based method to comprehensively analyze the palmitoylation sites of the α/β tubulin heterodimer. Acyl-biotinyl exchange chemistry and streptavidin agarose affinity purification were applied to enrich palmitoylated peptides from tubulin. After nano-LC-MS/MS analysis, database searching and manual analysis of the spectra revealed that 11 cysteine residues of the α/β tubulin heterodimer were palmitoylated.

  18. Improved CO Adsorption Energies, Site Preferences, and Surface Formation Energies from a Meta-Generalized Gradient Approximation Exchange-Correlation Functional, M06-L.

    PubMed

    Luo, Sijie; Zhao, Yan; Truhlar, Donald G

    2012-10-18

    A notorious failing of approximate exchange-correlation functionals when applied to problems involving catalysis has been the inability of most local functionals to predict the correct adsorption site for CO on metal surfaces or to simultaneously predict accurate surface formation energies and adsorption energies for transition metals. By adding the kinetic energy density τ to the density functional, the revTPSS density functional was shown recently to achieve a balanced description of surface energies and adsorption energies. Here, we show that the older M06-L density functional, also containing τ, provides improved surface formation energies and CO adsorption energies over revTPSS for five transition metals and correctly predicted the on-top/hollow site adsorption preferences for four of the five metals, which was not achieved by most other local functionals. Because M06-L was entirely designed on the basis of atomic and molecular energies, its very good performance is a confirmation of the reasonableness of its functional form. Two GGA functionals with an expansion in the reduced gradient that is correct through second order, namely, SOGGA and SOGGA11, were also tested and found to produce the best surface formation energies of all tested GGA functionals, although they significantly overestimate the adsorption energies.

  19. Design and fabrication of two-dimensional deterministic aperiodic photonic lattices by optical induction

    NASA Astrophysics Data System (ADS)

    Diebel, F.; Boguslawski, M.; Lučić, Nemanja M.; Jović Savić, Dragana M.; Denz, C.

    2015-03-01

    Light propagation in structured photonic media covers many fascinating wave phenomena resulting from the band structure of the underlying lattice. Recently, the focus turned towards deterministic aperiodic structures exhibiting distinctive band gap properties. To experimentally study these effects, optical induction of photonic refractive index landscapes turned out to be the method of choice to fabricate these structures. In this contribution, we present a paradigm change of photonic lattice design by introducing a holographic optical induction method based on pixel-like spatially multiplexed single-site nondiffracting Bessel beams. This technique allows realizing a huge class of two-dimensional photonic structures, including deterministic aperiodic golden-angle Vogel spirals, as well as Fibonacci lattices.

  20. Deterministic assisted clone of an unknown four-particle entangled cluster-type state

    NASA Astrophysics Data System (ADS)

    Ma, Song-Ya; Luo, Ming-Xing; Sun, Ying

    2013-11-01

    Two deterministic schemes are proposed to realize the assisted clone of an unknown four-particle entangled cluster-type state. The schemes include two stages. The first stage requires teleportation via maximal entanglement as the quantum channel. In the second stages of the protocols, two novel sets of mutually orthogonal basis vectors are constructed. With the assistance of the preparer through a four-particle or two-step two-particle projective measurement under these bases, the perfect copy of an original state can be produced. Comparing with the previous protocols which produce the unknown state and its orthogonal complement state at the site of the sender, the proposed schemes generate the unknown state deterministically.

  1. Deterministic strain-induced arrays of quantum emitters in a two-dimensional semiconductor

    NASA Astrophysics Data System (ADS)

    Branny, Artur; Kumar, Santosh; Proux, Raphaël; Gerardot, Brian D.

    2017-05-01

    An outstanding challenge in quantum photonics is scalability, which requires positioning of single quantum emitters in a deterministic fashion. Site positioning progress has been made in established platforms including defects in diamond and self-assembled quantum dots, albeit often with compromised coherence and optical quality. The emergence of single quantum emitters in layered transition metal dichalcogenide semiconductors offers new opportunities to construct a scalable quantum architecture. Here, using nanoscale strain engineering, we deterministically achieve a two-dimensional lattice of quantum emitters in an atomically thin semiconductor. We create point-like strain perturbations in mono- and bi-layer WSe2 which locally modify the band-gap, leading to efficient funnelling of excitons towards isolated strain-tuned quantum emitters that exhibit high-purity single photon emission. We achieve near unity emitter creation probability and a mean positioning accuracy of 120+/-32 nm, which may be improved with further optimization of the nanopillar dimensions.

  2. Deterministic strain-induced arrays of quantum emitters in a two-dimensional semiconductor

    PubMed Central

    Branny, Artur; Kumar, Santosh; Proux, Raphaël; Gerardot, Brian D

    2017-01-01

    An outstanding challenge in quantum photonics is scalability, which requires positioning of single quantum emitters in a deterministic fashion. Site positioning progress has been made in established platforms including defects in diamond and self-assembled quantum dots, albeit often with compromised coherence and optical quality. The emergence of single quantum emitters in layered transition metal dichalcogenide semiconductors offers new opportunities to construct a scalable quantum architecture. Here, using nanoscale strain engineering, we deterministically achieve a two-dimensional lattice of quantum emitters in an atomically thin semiconductor. We create point-like strain perturbations in mono- and bi-layer WSe2 which locally modify the band-gap, leading to efficient funnelling of excitons towards isolated strain-tuned quantum emitters that exhibit high-purity single photon emission. We achieve near unity emitter creation probability and a mean positioning accuracy of 120±32 nm, which may be improved with further optimization of the nanopillar dimensions. PMID:28530219

  3. Equivalence of deterministic walks on regular lattices on the plane

    NASA Astrophysics Data System (ADS)

    Rechtman, Ana; Rechtman, Raúl

    2017-01-01

    We consider deterministic walks on square, triangular and hexagonal two dimensional lattices. In each case, there is a scatterer at every lattice site that can be in one of two states that forces the walker to turn either to his/her immediate right or left. After the walker is scattered, the scatterer changes state. A lattice with an arrangement of scatterers is an environment. We show that there are only two environments for which the scattering rules are injective, mirrors or rotators, on the three lattices. On hexagonal lattices Webb and Cohen (2014), proved that if a walker with a given initial position and velocity moves through an environment of mirrors (rotators) then there is an environment of rotators (mirrors) through which the walker would move with the same trajectory. We refer to these trajectories on mirror and rotator environments as equivalent walks. We prove the equivalence of walks on square and triangular lattices and include a proof of the equivalence of walks on hexagonal lattices. The proofs are based both on the geometry of the lattice and the structure of the scattering rule.

  4. Amazon rainforest exchange of carbon and subcanopy air flow: Manaus LBA site--a complex terrain condition.

    PubMed

    Tóta, Julio; Fitzjarrald, David Roy; da Silva Dias, Maria A F

    2012-01-01

    On the moderately complex terrain covered by dense tropical Amazon Rainforest (Reserva Biologica do Cuieiras--ZF2--02°36'17.1'' S, 60°12'24.4'' W), subcanopy horizontal and vertical gradients of the air temperature, CO(2) concentration and wind field were measured for the dry and wet periods in 2006. We tested the hypothesis that horizontal drainage flow over this study area is significant and can affect the interpretation of the high carbon uptake rates reported by previous works at this site. A similar experimental design as the one by Tóta et al. (2008) was used with a network of wind, air temperature, and CO(2) sensors above and below the forest canopy. A persistent and systematic subcanopy nighttime upslope (positive buoyancy) and daytime downslope (negative buoyancy) flow pattern on a moderately inclined slope (12%) was observed. The microcirculations observed above the canopy (38 m) over the sloping area during nighttime presents a downward motion indicating vertical convergence and correspondent horizontal divergence toward the valley area. During the daytime an inverse pattern was observed. The micro-circulations above the canopy were driven mainly by buoyancy balancing the pressure gradient forces. In the subcanopy space the microcirculations were also driven by the same physical mechanisms but probably with the stress forcing contribution. The results also indicated that the horizontal and vertical scalar gradients (e.g., CO(2)) were modulated by these micro-circulations above and below the canopy, suggesting that estimates of advection using previous experimental approaches are not appropriate due to the tridimensional nature of the vertical and horizontal transport locally. This work also indicates that carbon budget from tower-based measurement is not enough to close the system, and one needs to include horizontal and vertical advection transport of CO(2) into those estimates.

  5. Deterministic phase retrieval employing spherical illumination

    NASA Astrophysics Data System (ADS)

    Martínez-Carranza, J.; Falaggis, K.; Kozacki, T.

    2015-05-01

    Deterministic Phase Retrieval techniques (DPRTs) employ a series of paraxial beam intensities in order to recover the phase of a complex field. These paraxial intensities are usually generated in systems that employ plane-wave illumination. This type of illumination allows a direct processing of the captured intensities with DPRTs for recovering the phase. Furthermore, it has been shown that intensities for DPRTs can be acquired from systems that use spherical illumination as well. However, this type of illumination presents a major setback for DPRTs: the captured intensities change their size for each position of the detector on the propagation axis. In order to apply the DPRTs, reescalation of the captured intensities has to be applied. This condition can increase the error sensitivity of the final phase result if it is not carried out properly. In this work, we introduce a novel system based on a Phase Light Modulator (PLM) for capturing the intensities when employing spherical illumination. The proposed optical system enables us to capture the diffraction pattern of under, in, and over-focus intensities. The employment of the PLM allows capturing the corresponding intensities without displacing the detector. Moreover, with the proposed optical system we can control accurately the magnification of the captured intensities. Thus, the stack of captured intensities can be used in DPRTs, overcoming the problems related with the resizing of the images. In order to prove our claims, the corresponding numerical experiments will be carried out. These simulations will show that the retrieved phases with spherical illumination are accurate and can be compared with those that employ plane wave illumination. We demonstrate that with the employment of the PLM, the proposed optical system has several advantages as: the optical system is compact, the beam size on the detector plane is controlled accurately, and the errors coming from mechanical motion can be suppressed easily.

  6. Reproducible and deterministic production of aspheres

    NASA Astrophysics Data System (ADS)

    Leitz, Ernst Michael; Stroh, Carsten; Schwalb, Fabian

    2015-10-01

    Aspheric lenses are ground in a single point cutting mode. Subsequently different iterative polishing methods are applied followed by aberration measurements on external metrology instruments. For an economical production, metrology and correction steps need to be reduced. More deterministic grinding and polishing is mandatory. Single point grinding is a path-controlled process. The quality of a ground asphere is mainly influenced by the accuracy of the machine. Machine improvements must focus on path accuracy and thermal expansion. Optimized design, materials and thermal management reduce thermal expansion. The path accuracy can be improved using ISO 230-2 standardized measurements. Repeated interferometric measurements over the total travel of all CNC axes in both directions are recorded. Position deviations evaluated in correction tables improve the path accuracy and that of the ground surface. Aspheric polishing using a sub-aperture flexible polishing tool is a dwell time controlled process. For plano and spherical polishing the amount of material removal during polishing is proportional to pressure, relative velocity and time (Preston). For the use of flexible tools on aspheres or freeform surfaces additional non-linear components are necessary. Satisloh ADAPT calculates a predicted removal function from lens geometry, tool geometry and process parameters with FEM. Additionally the tooĺs local removal characteristics is determined in a simple test. By oscillating the tool on a plano or spherical sample of the same lens material, a trench is created. Its 3-D profile is measured to calibrate the removal simulation. Remaining aberrations of the desired lens shape can be predicted, reducing iteration and metrology steps.

  7. Deterministic transfer function for transionospheric propagation

    SciTech Connect

    Roussel-Dupre, R.; Argo, P.

    1992-01-01

    Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25--175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = {omega}{sub pe}{sup 2}/{omega}{sup 2} where X is assumed to be small compared to one, {omega}{sub pe} is the peak plasma frequency of the ionosphere, and {omega} is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to ,venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.

  8. Deterministic transfer function for transionospheric propagation

    SciTech Connect

    Roussel-Dupre, R.; Argo, P.

    1992-09-01

    Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25--175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = {omega}{sub pe}{sup 2}/{omega}{sup 2} where X is assumed to be small compared to one, {omega}{sub pe} is the peak plasma frequency of the ionosphere, and {omega} is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to ,venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.

  9. Understanding Vertical Jump Potentiation: A Deterministic Model.

    PubMed

    Suchomel, Timothy J; Lamont, Hugh S; Moir, Gavin L

    2016-06-01

    This review article discusses previous postactivation potentiation (PAP) literature and provides a deterministic model for vertical jump (i.e., squat jump, countermovement jump, and drop/depth jump) potentiation. There are a number of factors that must be considered when designing an effective strength-power potentiation complex (SPPC) focused on vertical jump potentiation. Sport scientists and practitioners must consider the characteristics of the subject being tested and the design of the SPPC itself. Subject characteristics that must be considered when designing an SPPC focused on vertical jump potentiation include the individual's relative strength, sex, muscle characteristics, neuromuscular characteristics, current fatigue state, and training background. Aspects of the SPPC that must be considered for vertical jump potentiation include the potentiating exercise, level and rate of muscle activation, volume load completed, the ballistic or non-ballistic nature of the potentiating exercise, and the rest interval(s) used following the potentiating exercise. Sport scientists and practitioners should design and seek SPPCs that are practical in nature regarding the equipment needed and the rest interval required for a potentiated performance. If practitioners would like to incorporate PAP as a training tool, they must take the athlete training time restrictions into account as a number of previous SPPCs have been shown to require long rest periods before potentiation can be realized. Thus, practitioners should seek SPPCs that may be effectively implemented in training and that do not require excessive rest intervals that may take away from valuable training time. Practitioners may decrease the necessary time needed to realize potentiation by improving their subject's relative strength.

  10. ZERODUR: deterministic approach for strength design

    NASA Astrophysics Data System (ADS)

    Hartmann, Peter

    2012-12-01

    There is an increasing request for zero expansion glass ceramic ZERODUR substrates being capable of enduring higher operational static loads or accelerations. The integrity of structures such as optical or mechanical elements for satellites surviving rocket launches, filigree lightweight mirrors, wobbling mirrors, and reticle and wafer stages in microlithography must be guaranteed with low failure probability. Their design requires statistically relevant strength data. The traditional approach using the statistical two-parameter Weibull distribution suffered from two problems. The data sets were too small to obtain distribution parameters with sufficient accuracy and also too small to decide on the validity of the model. This holds especially for the low failure probability levels that are required for reliable applications. Extrapolation to 0.1% failure probability and below led to design strengths so low that higher load applications seemed to be not feasible. New data have been collected with numbers per set large enough to enable tests on the applicability of the three-parameter Weibull distribution. This distribution revealed to provide much better fitting of the data. Moreover it delivers a lower threshold value, which means a minimum value for breakage stress, allowing of removing statistical uncertainty by introducing a deterministic method to calculate design strength. Considerations taken from the theory of fracture mechanics as have been proven to be reliable with proof test qualifications of delicate structures made from brittle materials enable including fatigue due to stress corrosion in a straight forward way. With the formulae derived, either lifetime can be calculated from given stress or allowable stress from minimum required lifetime. The data, distributions, and design strength calculations for several practically relevant surface conditions of ZERODUR are given. The values obtained are significantly higher than those resulting from the two

  11. Deterministic versus stochastic trends: Detection and challenges

    NASA Astrophysics Data System (ADS)

    Fatichi, S.; Barbosa, S. M.; Caporali, E.; Silva, M. E.

    2009-09-01

    The detection of a trend in a time series and the evaluation of its magnitude and statistical significance is an important task in geophysical research. This importance is amplified in climate change contexts, since trends are often used to characterize long-term climate variability and to quantify the magnitude and the statistical significance of changes in climate time series, both at global and local scales. Recent studies have demonstrated that the stochastic behavior of a time series can change the statistical significance of a trend, especially if the time series exhibits long-range dependence. The present study examines the trends in time series of daily average temperature recorded in 26 stations in the Tuscany region (Italy). In this study a new framework for trend detection is proposed. First two parametric statistical tests, the Phillips-Perron test and the Kwiatkowski-Phillips-Schmidt-Shin test, are applied in order to test for trend stationary and difference stationary behavior in the temperature time series. Then long-range dependence is assessed using different approaches, including wavelet analysis, heuristic methods and by fitting fractionally integrated autoregressive moving average models. The trend detection results are further compared with the results obtained using nonparametric trend detection methods: Mann-Kendall, Cox-Stuart and Spearman's ρ tests. This study confirms an increase in uncertainty when pronounced stochastic behaviors are present in the data. Nevertheless, for approximately one third of the analyzed records, the stochastic behavior itself cannot explain the long-term features of the time series, and a deterministic positive trend is the most likely explanation.

  12. Geographic approaches to quantifying the risk environment: a focus on syringe exchange program site access and drug-related law enforcement activities

    PubMed Central

    Cooper, Hannah LF; Bossak, Brian; Tempalski, Barbara; Des Jarlais, Don C.; Friedman, Samuel R.

    2009-01-01

    The concept of the “risk environment” – defined as the “space … [where] factors exogenous to the individual interact to increase the chances of HIV transmission” – draws together the disciplines of public health and geography. Researchers have increasingly turned to geographic methods to quantify dimensions of the risk environment that are both structural and spatial (e.g., local poverty rates). The scientific power of the intersection between public health and geography, however, has yet to be fully mined. In particular, research on the risk environment has rarely applied geographic methods to create neighbourhood-based measures of syringe exchange programs (SEPs) or of drug-related law enforcement activities, despite the fact that these interventions are widely conceptualized as structural and spatial in nature and are two of the most well-established dimensions of the risk environment. To strengthen research on the risk environment, this paper presents a way of using geographic methods to create neighbourhood-based measures of (1) access to SEP sites and (2) exposure to drug-related arrests, and then applies these methods to one setting (New York City). NYC-based results identified substantial cross-neighbourhood variation in SEP site access and in exposure to drug-related arrest rates (even within the subset of neighbourhoods nominally experiencing the same drug-related police strategy). These geographic measures – grounded as they are in conceptualizations of SEPs and drug-related law enforcement strategies – can help develop new arenas of inquiry regarding the impact of these two dimensions of the risk environment on injectors’ health, including exploring whether and how neighbourhood-level access to SEP sites and exposure to drug-related arrests shape a range of outcomes among local injectors. PMID:18963907

  13. Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

    DOEpatents

    Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E [Greenback, TN; Guillorn, Michael A [Ithaca, NY; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

    2011-08-23

    Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. An apparatus, includes a substrate and a nanoreplicant structure coupled to a surface of the substrate.

  14. Structural deterministic safety factors selection criteria and verification

    NASA Technical Reports Server (NTRS)

    Verderaime, V.

    1992-01-01

    Though current deterministic safety factors are arbitrarily and unaccountably specified, its ratio is rooted in resistive and applied stress probability distributions. This study approached the deterministic method from a probabilistic concept leading to a more systematic and coherent philosophy and criterion for designing more uniform and reliable high-performance structures. The deterministic method was noted to consist of three safety factors: a standard deviation multiplier of the applied stress distribution; a K-factor for the A- or B-basis material ultimate stress; and the conventional safety factor to ensure that the applied stress does not operate in the inelastic zone of metallic materials. The conventional safety factor is specifically defined as the ratio of ultimate-to-yield stresses. A deterministic safety index of the combined safety factors was derived from which the corresponding reliability proved the deterministic method is not reliability sensitive. The bases for selecting safety factors are presented and verification requirements are discussed. The suggested deterministic approach is applicable to all NASA, DOD, and commercial high-performance structures under static stresses.

  15. Unexpected sensitivity of the annual net ecosystem exchange to the high frequency loss corrections in a grazed grassland site in Belgium

    NASA Astrophysics Data System (ADS)

    Mamadou, Ossenatou; Gourlez de la Motte, Louis; De Ligne, Anne; Bernard, Heineisch; Aubinet, Marc

    2016-04-01

    Although widely used to measure CO2 and other gas fluxes, the eddy covariance technique still needs methodological improvements. This research focuses on the high frequency loss corrections, which are especially important when using a closed-path infrared gas analyzer. We compared three approaches to implement these corrections for CO2 fluxes and evaluated their impact on the carbon balance at the Dorinne Terrestrial Observatory (DTO), an intensively grazed grassland site in Belgium. The carbon balance at DTO is also the object of a separate analysis (Gourlez de la Motte et al., Geophysical Research Abstract, Vol. 18, EGU2016-6813-1, 2016). In the first approach, the computation of correction factors was based on the measured sensible heat cospectra ('local' cospectra), whereas the other two were based on theoretical models (Kaimal et al., 1972). The correction approaches were validated by comparing the nighttime eddy covariance CO2 fluxes corrected with each approach and in situ soil respiration measurements. We found that the local cospectra differed from the Kaimal theoretical shape, although the site could not be considered 'difficult' (i.e., fairly flat, homogeneous, low vegetation, sufficient measurement height), appearing less peaked in the inertial subrange. This difference greatly affected the correction factor, especially for night fluxes. Night fluxes measured by eddy covariance were found to be in good agreement with in situ soil respiration measurements when corrected with local cospectra and to be overestimated when corrected with Kaimal cospectra. As the difference between correction factors was larger in stable than unstable conditions, this acts as a selective systematic error and has an important impact on annual fluxes. On the basis of a 4-year average, at DTO, the errors reach 71-150 g C m-2 y-1 for net ecosystem exchange (NEE), 280-562 g C m-2 y-1 for total ecosystem respiration (TER) and 209-412 g C m-2 y-1 for gross primary productivity (GPP

  16. The recursive deterministic perceptron neural network.

    PubMed

    Tajine, Mohamed; Elizondo, David

    1998-12-01

    We introduce a feedforward multilayer neural network which is a generalization of the single layer perceptron topology (SLPT), called recursive deterministic perceptron (RDP). This new model is capable of solving any two-class classification problem, as opposed to the single layer perceptron which can only solve classification problems dealing with linearly separable sets (two subsets X and Y of R(d) are said to be linearly separable if there exists a hyperplane such that the elements of X and Y lie on the two opposite sides of R(d) delimited by this hyperplane). We propose several growing methods for constructing a RDP. These growing methods build a RDP by successively adding intermediate neurons (IN) to the topology (an IN corresponds to a SLPT). Thus, as a result, we obtain a multilayer perceptron topology, which together with the weights, are determined automatically by the constructing algorithms. Each IN augments the affine dimension of the set of input vectors. This augmentation is done by adding the output of each of these INs, as a new component, to every input vector. The construction of a new IN is made by selecting a subset from the set of augmented input vectors which is LS from the rest of this set. This process ends with LS classes in almost n-1 steps where n is the number of input vectors. For this construction, if we assume that the selected LS subsets are of maximum cardinality, the problem is proven to be NP-complete. We also introduce a generalization of the RDP model for classification of m classes (m>2) allowing to always separate m classes. This generalization is based on a new notion of linear separability for m classes, and it follows naturally from the RDP. This new model can be used to compute functions with a finite domain, and thus, to approximate continuous functions. We have also compared - over several classification problems - the percentage of test data correctly classified, or the topology of the 2 and m classes RDPs with that of

  17. Single Ion Implantation and Deterministic Doping

    SciTech Connect

    Schenkel, Thomas

    2010-06-11

    The presence of single atoms, e.g. dopant atoms, in sub-100 nm scale electronic devices can affect the device characteristics, such as the threshold voltage of transistors, or the sub-threshold currents. Fluctuations of the number of dopant atoms thus poses a complication for transistor scaling. In a complementary view, new opportunities emerge when novel functionality can be implemented in devices deterministically doped with single atoms. The grand price of the latter might be a large scale quantum computer, where quantum bits (qubits) are encoded e.g. in the spin states of electrons and nuclei of single dopant atoms in silicon, or in color centers in diamond. Both the possible detrimental effects of dopant fluctuations and single atom device ideas motivate the development of reliable single atom doping techniques which are the subject of this chapter. Single atom doping can be approached with top down and bottom up techniques. Top down refers to the placement of dopant atoms into a more or less structured matrix environment, like a transistor in silicon. Bottom up refers to approaches to introduce single dopant atoms during the growth of the host matrix e.g. by directed self-assembly and scanning probe assisted lithography. Bottom up approaches are discussed in Chapter XYZ. Since the late 1960's, ion implantation has been a widely used technique to introduce dopant atoms into silicon and other materials in order to modify their electronic properties. It works particularly well in silicon since the damage to the crystal lattice that is induced by ion implantation can be repaired by thermal annealing. In addition, the introduced dopant atoms can be incorporated with high efficiency into lattice position in the silicon host crystal which makes them electrically active. This is not the case for e.g. diamond, which makes ion implantation doping to engineer the electrical properties of diamond, especially for n-type doping much harder then for silicon. Ion

  18. Evidence for site-specific intra-ionic hydrogen/deuterium exchange in the low-energy collision-induced dissociation product ion spectra of protonated small molecules generated by electrospray ionisation.

    PubMed

    Holman, Stephen W; Wright, Patricia; Wells, Neil J; Langley, G John

    2010-04-01

    The experimental investigation of site-specific intra-ionic hydrogen/deuterium (H/D) exchange in the low-energy collision-induced dissociation (CID) product ion spectra of protonated small molecules generated by electrospray ionisation (ESI) is presented. The observation of intra-ionic H/D exchange in such ions under low-energy CID conditions has hitherto been rarely reported. The data suggest that the intra-ionic H/D exchange takes place in a site-specific manner between the ionising deuteron, localised at either a tertiary amine or a tertiary amine-N-oxide, and a gamma-hydrogen relative to the nitrogen atom. Nuclear magnetic resonance (NMR) spectroscopy measurements showed that no H/D exchange takes place in solution, indicating that the reaction occurs in the gas phase. The compounds analysed in this study suggested that electron-withdrawing groups bonded to the carbon atom bearing the gamma-hydrogen can preclude exchange. The effect of the electron-withdrawing group appears dependent upon its electronegativity, with lower chi value groups still allowing exchange to take place. However, the limited dataset available in this study prevented robust conclusions being drawn regarding the effect of the electron-withdrawing group. The observation of site-specific intra-ionic H/D exchange has application in the area of structural elucidation, where it could be used to introduce an isotopic label into the carbon skeleton of a molecule containing specific structural features. This could increase the throughput, and minimise the cost, of such studies due to the obviation of the need to produce a deuterium-labelled analogue by synthetic means. Copyright 2010 John Wiley & Sons, Ltd.

  19. Application of deterministic deconvolution of ground-penetrating radar data in a study of carbonate strata

    USGS Publications Warehouse

    Xia, J.; Franseen, E.K.; Miller, R.D.; Weis, T.V.

    2004-01-01

    We successfully applied deterministic deconvolution to real ground-penetrating radar (GPR) data by using the source wavelet that was generated in and transmitted through air as the operator. The GPR data were collected with 400-MHz antennas on a bench adjacent to a cleanly exposed quarry face. The quarry site is characterized by horizontally bedded carbonate strata with shale partings. In order to provide groundtruth for this deconvolution approach, 23 conductive rods were drilled into the quarry face at key locations. The steel rods provided critical information for: (1) correlation between reflections on GPR data and geologic features exposed in the quarry face, (2) GPR resolution limits, (3) accuracy of velocities calculated from common midpoint data and (4) identifying any multiples. Comparing the results of deconvolved data with non-deconvolved data demonstrates the effectiveness of deterministic deconvolution in low dielectric-loss media for increased accuracy of velocity models (improved at least 10-15% in our study after deterministic deconvolution), increased vertical and horizontal resolution of specific geologic features and more accurate representation of geologic features as confirmed from detailed study of the adjacent quarry wall. ?? 2004 Elsevier B.V. All rights reserved.

  20. Hydrogen/Deuterium Exchange Mass Spectrometry and Site-Directed Disulfide Cross-Linking Suggest an Important Dynamic Interface between the Two Lysostaphin Domains

    PubMed Central

    Lu, Hai-Rong; Gu, Mei-Gang; Huang, Qiang; Huang, Jin-Jiang; Lu, Wan-Ying; Lu, Hong

    2013-01-01

    Lysostaphin is a peptidoglycan hydrolase secreted by Staphylococcus simulans. It can specifically lyse Staphylococcus aureus and is being tested as a novel antibacterial agent. The protein contains an N-terminal catalytic domain and a C-terminal cell wall targeting domain. Although the two domains from homologous enzymes were structurally determined, the structural organization of lysostaphin domains remains unknown. We used hydrogen/deuterium exchange mass spectrometry (H/DX-MS) and site-directed disulfide cross-linking to probe the interface between the lysostaphin catalytic and targeting domains. H/DX-MS-mediated comparison of peptides from full-length lysostaphin and the separated domains identified four peptides of lower solvent accessibility in the full-length protein. Cross-linking analysis using cysteine pair substitutions within those peptides showed that two pairs of cysteines can form disulfide bonds, supporting the domain association role of the targeted peptides. The cross-linked mutant exhibited a binding capacity to S. aureus that was similar to that of the wild-type protein but reduced bacteriolytic activity probably because of restraint in conformation. The diminished activity was further reduced with increasing NaCl concentrations that can cause contractions of bacterial peptidoglycan. The lytic activity, however, could be fully recovered by reducing the disulfide bonds. These results suggest that lysostaphin may require dynamic association of the two domains for coordinating substrate binding and target cleavage on the elastic peptidoglycan. Our study will help develop site-specific PEGylated lysostaphin to treat systemic S. aureus infections. PMID:23380729

  1. Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.

    PubMed

    Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan

    2016-09-28

    A new derivative of naphthalene diimide (NDMI) was synthesized that displayed optical, electrical, and visual changes exclusively for the most widespread nitroexplosive and highly water-soluble toxicant picric acid (PA) due to strong π-π interactions, dipole-charge interaction, and a favorable ground state electron transfer process facilitated by Coulombic attraction. The sensing mechanism and interaction between NDMI with PA is demonstrated via X-ray diffraction analysis, (1)H NMR studies, cyclic voltammetry, UV-visible/fluorescence spectroscopy, and lifetime measurements. Single crystal X-ray structure of NDMI revealed the formation of self-assembled crystalline network assisted by noncovalent C-H···I interactions that get disrupted upon introducing PA as a result of anion exchange and strong π-π stacking between NDMI and PA. Morphological studies of NDMI displayed large numbers of single crystalline microrods along with some three-dimensional (3D) daisy-like structures which were fabricated on Al-coated glass substrate to construct a low-cost two terminal sensor device for realizing vapor mode detection of PA at room temperature and under ambient conditions. Furthermore, an economical and portable electronic prototype was developed for visual and on-site detection of PA vapors under exceptionally realistic conditions.

  2. Comparison of numerical weather prediction based deterministic and probabilistic wind resource assessment methods

    SciTech Connect

    Zhang, Jie; Draxl, Caroline; Hopson, Thomas; Monache, Luca Delle; Vanvyve, Emilie; Hodge, Bri-Mathias

    2015-10-01

    Numerical weather prediction (NWP) models have been widely used for wind resource assessment. Model runs with higher spatial resolution are generally more accurate, yet extremely computational expensive. An alternative approach is to use data generated by a low resolution NWP model, in conjunction with statistical methods. In order to analyze the accuracy and computational efficiency of different types of NWP-based wind resource assessment methods, this paper performs a comparison of three deterministic and probabilistic NWP-based wind resource assessment methodologies: (i) a coarse resolution (0.5 degrees x 0.67 degrees) global reanalysis data set, the Modern-Era Retrospective Analysis for Research and Applications (MERRA); (ii) an analog ensemble methodology based on the MERRA, which provides both deterministic and probabilistic predictions; and (iii) a fine resolution (2-km) NWP data set, the Wind Integration National Dataset (WIND) Toolkit, based on the Weather Research and Forecasting model. Results show that: (i) as expected, the analog ensemble and WIND Toolkit perform significantly better than MERRA confirming their ability to downscale coarse estimates; (ii) the analog ensemble provides the best estimate of the multi-year wind distribution at seven of the nine sites, while the WIND Toolkit is the best at one site; (iii) the WIND Toolkit is more accurate in estimating the distribution of hourly wind speed differences, which characterizes the wind variability, at five of the available sites, with the analog ensemble being best at the remaining four locations; and (iv) the analog ensemble computational cost is negligible, whereas the WIND Toolkit requires large computational resources. Future efforts could focus on the combination of the analog ensemble with intermediate resolution (e.g., 10-15 km) NWP estimates, to considerably reduce the computational burden, while providing accurate deterministic estimates and reliable probabilistic assessments.

  3. Ergodicity of Truncated Stochastic Navier Stokes with Deterministic Forcing and Dispersion

    NASA Astrophysics Data System (ADS)

    Majda, Andrew J.; Tong, Xin T.

    2016-10-01

    Turbulence in idealized geophysical flows is a very rich and important topic. The anisotropic effects of explicit deterministic forcing, dispersive effects from rotation due to the β -plane and F-plane, and topography together with random forcing all combine to produce a remarkable number of realistic phenomena. These effects have been studied through careful numerical experiments in the truncated geophysical models. These important results include transitions between coherent jets and vortices, and direct and inverse turbulence cascades as parameters are varied, and it is a contemporary challenge to explain these diverse statistical predictions. Here we contribute to these issues by proving with full mathematical rigor that for any values of the deterministic forcing, the β - and F-plane effects and topography, with minimal stochastic forcing, there is geometric ergodicity for any finite Galerkin truncation. This means that there is a unique smooth invariant measure which attracts all statistical initial data at an exponential rate. In particular, this rigorous statistical theory guarantees that there are no bifurcations to multiple stable and unstable statistical steady states as geophysical parameters are varied in contrast to claims in the applied literature. The proof utilizes a new statistical Lyapunov function to account for enstrophy exchanges between the statistical mean and the variance fluctuations due to the deterministic forcing. It also requires careful proofs of hypoellipticity with geophysical effects and uses geometric control theory to establish reachability. To illustrate the necessity of these conditions, a two-dimensional example is developed which has the square of the Euclidean norm as the Lyapunov function and is hypoelliptic with nonzero noise forcing, yet fails to be reachable or ergodic.

  4. Elliptical quantum dots as on-demand single photons sources with deterministic polarization states

    SciTech Connect

    Teng, Chu-Hsiang; Demory, Brandon; Ku, Pei-Cheng; Zhang, Lei; Hill, Tyler A.; Deng, Hui

    2015-11-09

    In quantum information, control of the single photon's polarization is essential. Here, we demonstrate single photon generation in a pre-programmed and deterministic polarization state, on a chip-scale platform, utilizing site-controlled elliptical quantum dots (QDs) synthesized by a top-down approach. The polarization from the QD emission is found to be linear with a high degree of linear polarization and parallel to the long axis of the ellipse. Single photon emission with orthogonal polarizations is achieved, and the dependence of the degree of linear polarization on the QD geometry is analyzed.

  5. Deterministic dynamics of neural activity during absence seizures in rats

    NASA Astrophysics Data System (ADS)

    Ouyang, Gaoxiang; Li, Xiaoli; Dang, Chuangyin; Richards, Douglas A.

    2009-04-01

    The study of brain electrical activities in terms of deterministic nonlinear dynamics has recently received much attention. Forbidden ordinal patterns (FOP) is a recently proposed method to investigate the determinism of a dynamical system through the analysis of intrinsic ordinal properties of a nonstationary time series. The advantages of this method in comparison to others include simplicity and low complexity in computation without further model assumptions. In this paper, the FOP of the EEG series of genetic absence epilepsy rats from Strasbourg was examined to demonstrate evidence of deterministic dynamics during epileptic states. Experiments showed that the number of FOP of the EEG series grew significantly from an interictal to an ictal state via a preictal state. These findings indicated that the deterministic dynamics of neural networks increased significantly in the transition from the interictal to the ictal states and also suggested that the FOP measures of the EEG series could be considered as a predictor of absence seizures.

  6. Deterministic dynamics of neural activity during absence seizures in rats.

    PubMed

    Ouyang, Gaoxiang; Li, Xiaoli; Dang, Chuangyin; Richards, Douglas A

    2009-04-01

    The study of brain electrical activities in terms of deterministic nonlinear dynamics has recently received much attention. Forbidden ordinal patterns (FOP) is a recently proposed method to investigate the determinism of a dynamical system through the analysis of intrinsic ordinal properties of a nonstationary time series. The advantages of this method in comparison to others include simplicity and low complexity in computation without further model assumptions. In this paper, the FOP of the EEG series of genetic absence epilepsy rats from Strasbourg was examined to demonstrate evidence of deterministic dynamics during epileptic states. Experiments showed that the number of FOP of the EEG series grew significantly from an interictal to an ictal state via a preictal state. These findings indicated that the deterministic dynamics of neural networks increased significantly in the transition from the interictal to the ictal states and also suggested that the FOP measures of the EEG series could be considered as a predictor of absence seizures.

  7. Estimating the epidemic threshold on networks by deterministic connections

    SciTech Connect

    Li, Kezan Zhu, Guanghu; Fu, Xinchu; Small, Michael

    2014-12-15

    For many epidemic networks some connections between nodes are treated as deterministic, while the remainder are random and have different connection probabilities. By applying spectral analysis to several constructed models, we find that one can estimate the epidemic thresholds of these networks by investigating information from only the deterministic connections. Nonetheless, in these models, generic nonuniform stochastic connections and heterogeneous community structure are also considered. The estimation of epidemic thresholds is achieved via inequalities with upper and lower bounds, which are found to be in very good agreement with numerical simulations. Since these deterministic connections are easier to detect than those stochastic connections, this work provides a feasible and effective method to estimate the epidemic thresholds in real epidemic networks.

  8. Deterministic sensing matrices in compressive sensing: a survey.

    PubMed

    Nguyen, Thu L N; Shin, Yoan

    2013-01-01

    Compressive sensing is a sampling method which provides a new approach to efficient signal compression and recovery by exploiting the fact that a sparse signal can be suitably reconstructed from very few measurements. One of the most concerns in compressive sensing is the construction of the sensing matrices. While random sensing matrices have been widely studied, only a few deterministic sensing matrices have been considered. These matrices are highly desirable on structure which allows fast implementation with reduced storage requirements. In this paper, a survey of deterministic sensing matrices for compressive sensing is presented. We introduce a basic problem in compressive sensing and some disadvantage of the random sensing matrices. Some recent results on construction of the deterministic sensing matrices are discussed.

  9. Nonsignaling Deterministic Models for Nonlocal Correlations have to be Uncomputable.

    PubMed

    Bendersky, Ariel; Senno, Gabriel; de la Torre, Gonzalo; Figueira, Santiago; Acín, Antonio

    2017-03-31

    Quantum mechanics postulates random outcomes. However, a model making the same output predictions but in a deterministic manner would be, in principle, experimentally indistinguishable from quantum theory. In this work we consider such models in the context of nonlocality on a device-independent scenario. That is, we study pairs of nonlocal boxes that produce their outputs deterministically. It is known that, for these boxes to be nonlocal, at least one of the boxes' outputs has to depend on the other party's input via some kind of hidden signaling. We prove that, if the deterministic mechanism is also algorithmic, there is a protocol that, with the sole knowledge of any upper bound on the time complexity of such an algorithm, extracts that hidden signaling and uses it for the communication of information.

  10. Two-Site Evaluation of the Repeatability and Precision of an Automated Dual-Column Hydrogen/Deuterium Exchange Mass Spectrometry Platform.

    PubMed

    Cummins, David J; Espada, Alfonso; Novick, Scott J; Molina-Martin, Manuel; Stites, Ryan E; Espinosa, Juan Felix; Broughton, Howard; Goswami, Devrishi; Pascal, Bruce D; Dodge, Jeffrey A; Chalmers, Michael J; Griffin, Patrick R

    2016-06-21

    Hydrogen/deuterium exchange coupled with mass spectrometry (HDX-MS) is an information-rich biophysical method for the characterization of protein dynamics. Successful applications of differential HDX-MS include the characterization of protein-ligand binding. A single differential HDX-MS data set (protein ± ligand) is often comprised of more than 40 individual HDX-MS experiments. To eliminate laborious manual processing of samples, and to minimize random and gross errors, automated systems for HDX-MS analysis have become routine in many laboratories. However, an automated system, while less prone to random errors introduced by human operators, may have systematic errors that go unnoticed without proper detection. Although the application of automated (and manual) HDX-MS has become common, there are only a handful of studies reporting the systematic evaluation of the performance of HDX-MS experiments, and no reports have been published describing a cross-site comparison of HDX-MS experiments. Here, we describe an automated HDX-MS platform that operates with a parallel, two-trap, two-column configuration that has been installed in two remote laboratories. To understand the performance of the system both within and between laboratories, we have designed and completed a test-retest repeatability study for differential HDX-MS experiments implemented at each of two laboratories, one in Florida and the other in Spain. This study provided sufficient data to do both within and between laboratory variability assessments. Initial results revealed a systematic run-order effect within one of the two systems. Therefore, the study was repeated, and this time the conclusion was that the experimental conditions were successfully replicated with minimal systematic error.

  11. Study on a Dynamic Vegetation Model for Simulating Land Surface Flux Exchanges at Lien-Hua-Chih Flux Observation Site in Taiwan

    NASA Astrophysics Data System (ADS)

    Yeh, T. Y.; Li, M. H.; Chen, Y. Y.; Ryder, J.; McGrath, M.; Otto, J.; Naudts, K.; Luyssaert, S.; MacBean, N.; Bastrikov, V.

    2016-12-01

    Dynamic vegetation model ORCHIDEE (Organizing Carbon and Hydrology In Dynamic EcosystEms) is a state of art land surface component of the IPSL (Institute Pierre Simon Laplace) Earth System Model. It has been used world-wide to investigate variations of water, carbon, and energy exchanges between the land surface and the atmosphere. In this study we assessed the applicability of using ORCHIDEE-CAN, a new feature with 3-D CANopy structure (Naudts et al., 2015; Ryder et al., 2016), to simulate surface fluxes measured at tower-based eddy covariance fluxes at the Lien-Hua-Chih experimental watershed in Taiwan. The atmospheric forcing including radiation, air temperature, wind speed, and the dynamics of vertical canopy structure for driving the model were obtained from the observations site. Suitable combinations of default plant function types were examined to meet in-situ observations of soil moisture and leaf area index from 2009 to 2013. The simulated top layer soil moisture was ranging from 0.1 to 0.4 and total leaf area was ranging from 2.2 to 4.4, respectively. A sensitivity analysis was performed to investigate the sensitive of model parameters and model skills of ORCHIDEE-CAN on capturing seasonal variations of surface fluxes. The most sensitive parameters were suggested and calibrated by an automatic data assimilation tool ORCHDAS (ORCHIDEE Data Assimilation Systems; http://orchidas.lsce.ipsl.fr/). Latent heat, sensible heat, and carbon fluxes simulated by the model were compared with long-term observations at the site. ORCHIDEE-CAN by making use of calibrated surface parameters was used to study variations of land-atmosphere interactions on a variety of temporal scale in associations with changes in both land and atmospheric conditions. Ref: Naudts, K., et al.,: A vertically discretised canopy description for ORCHIDEE (SVN r2290) and the modifications to the energy, water and carbon fluxes, Geoscientific Model Development, 8, 2035-2065, doi:10.5194/gmd-8

  12. Ten Years of Growing Season Water, Energy and Carbon Exchange From an Oil sands Reclamation Site, Fort McMurray, Alberta

    NASA Astrophysics Data System (ADS)

    Carey, S. K.; Drewitt, G. B.

    2013-12-01

    The oil sands mining industry in Canada has made a commitment to restore disturbed areas to an equivalent capability to that which existed prior to mining. Certification requires successful reclamation, which can in part be evaluated through long-term ecosystem studies. A reclamation site, informally named South Bison Hill (SBH) has had growing season water, energy and carbon fluxes measured via the eddy covariance method for 10 years since establishment. SBH was capped with a 0.2 m peat-glacial till mixture overlying 0.8 m of reworked glacial till soil. The site was seeded to barley cultivar (Hordeum spp.) in the summer of 2002 and later planted to white spruce (Picea glauca) and aspen (Populus spp.) in the summer/fall of 2004. Since 2007, the major species atop SBH has been aspen, and by 2012 was on average ~ 4 m in height. Climatically, mean growing temperature did not vary greatly, yet there was considerable difference in rainfall among years, with 2012 having the greatest rainfall at 321 mm, whereas 2011 and 2007 were notably dry at 180 and 178 mm, respectively. The partitioning of energy varied among years, but the fraction of latent heat as a portion of net radiation increased with the establishment of aspen, along with concomitant increases in LAI and growing season net ecosystem exchange (NEE). Peat growing season ET was smallest in 2004 at 2.3 mm/d and greatest in 2010 at ~3.9 mm/d. ET rates showed a marked increase in 2008 corresponding with the increase in LAI attributed to the aspen cover. Since the establishment of a surface cover and vegetation in 2003, SBH has been a growing season sink for carbon dioxide. Values of NEE follow similar patterns to those of ET, with values gradually becoming more negative (greater carbon uptake) as the aspen forest established. Comparison with other disturbed and undisturbed boreal aspen stands show that SBH exhibits similar water, energy and carbon flux patterns during the growing season.

  13. Deterministic and efficient quantum cryptography based on Bell's theorem

    SciTech Connect

    Chen Zengbing; Pan Jianwei; Zhang Qiang; Bao Xiaohui; Schmiedmayer, Joerg

    2006-05-15

    We propose a double-entanglement-based quantum cryptography protocol that is both efficient and deterministic. The proposal uses photon pairs with entanglement both in polarization and in time degrees of freedom; each measurement in which both of the two communicating parties register a photon can establish one and only one perfect correlation, and thus deterministically create a key bit. Eavesdropping can be detected by violation of local realism. A variation of the protocol shows a higher security, similar to the six-state protocol, under individual attacks. Our scheme allows a robust implementation under the current technology.

  14. Deterministic extinction by mixing in cyclically competing species

    NASA Astrophysics Data System (ADS)

    Feldager, Cilie W.; Mitarai, Namiko; Ohta, Hiroki

    2017-03-01

    We consider a cyclically competing species model on a ring with global mixing at finite rate, which corresponds to the well-known Lotka-Volterra equation in the limit of infinite mixing rate. Within a perturbation analysis of the model from the infinite mixing rate, we provide analytical evidence that extinction occurs deterministically at sufficiently large but finite values of the mixing rate for any species number N ≥3 . Further, by focusing on the cases of rather small species numbers, we discuss numerical results concerning the trajectories toward such deterministic extinction, including global bifurcations caused by changing the mixing rate.

  15. Complexity of Monte Carlo and deterministic dose-calculation methods.

    PubMed

    Börgers, C

    1998-03-01

    Grid-based deterministic dose-calculation methods for radiotherapy planning require the use of six-dimensional phase space grids. Because of the large number of phase space dimensions, a growing number of medical physicists appear to believe that grid-based deterministic dose-calculation methods are not competitive with Monte Carlo methods. We argue that this conclusion may be premature. Our results do suggest, however, that finite difference or finite element schemes with orders of accuracy greater than one will probably be needed if such methods are to compete well with Monte Carlo methods for dose calculations.

  16. Inherent Conservatism in Deterministic Quasi-Static Structural Analysis

    NASA Technical Reports Server (NTRS)

    Verderaime, V.

    1997-01-01

    The cause of the long-suspected excessive conservatism in the prevailing structural deterministic safety factor has been identified as an inherent violation of the error propagation laws when reducing statistical data to deterministic values and then combining them algebraically through successive structural computational processes. These errors are restricted to the applied stress computations, and because mean and variations of the tolerance limit format are added, the errors are positive, serially cumulative, and excessively conservative. Reliability methods circumvent these errors and provide more efficient and uniform safe structures. The document is a tutorial on the deficiencies and nature of the current safety factor and of its improvement and transition to absolute reliability.

  17. Comparing test-specific distress of susceptibility versus deterministic genetic testing for Alzheimer’s disease

    PubMed Central

    Cassidy, Michael R.; Roberts, J. Scott; Bird, Thomas D.; Steinbart, Ellen J.; Cupples, L. Adrienne; Chen, Clara A.; Linnenbringer, Erin; Green, Robert C.

    2008-01-01

    Background Genetic risk for Alzheimer’s disease (AD) may be conferred by the susceptibility polymorphism apolipoprotein E (APOE), where the ε4 allele increases the risk of developing late-onset Alzheimer’s disease but is not a definitive predictor of the disease, or by autosomal dominant mutations (e.g., the presenilins), which almost inevitably result in early-onset familial Alzheimer’s disease. The purpose of this study was to compare the psychological impact of using these two different types of genetic information to disclose genetic risk for AD to family members of affected patients. Methods Data were compared from two separate protocols. The Risk Evaluation and Education for Alzheimer’s Disease (REVEAL) Study is a randomized, multi-site clinical trial that evaluated the impact of susceptibility testing for Alzheimer’s disease with APOE in 101 adult children of Alzheimer’s disease patients. A separate study, conducted at the University of Washington, assessed the impact of deterministic genetic testing by disclosing presenilin-1, presenilin-2, or TAU genotype to 22 individuals at risk for familial Alzheimer’s disease or frontotemporal dementia. In both protocols, participants received genetic counseling and completed the Impact of Event Scale (IES), a measure of test-specific distress. Scores were analyzed at the time point closest to one year post-disclosure at which IES data were available. The role of genetic test result (positive vs. negative) and type of genetic testing (deterministic vs. susceptibility) in predicting log-transformed IES scores was assessed with linear regression, controlling for age, gender, and time from disclosure. Results Subjects from the REVEAL Study who learned that they were positive for the susceptibility gene APOE ε4+ experienced similar, low levels of test-specific distress compared to those who received positive results of deterministic testing in the University of Washington study (p= 0.78). APOE ε4

  18. Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead–based applications

    PubMed Central

    Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

    2017-01-01

    This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead–encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin–biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules. PMID:28393911

  19. Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead-based applications

    NASA Astrophysics Data System (ADS)

    Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

    2017-04-01

    This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead-encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin-biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules.

  20. Deterministic entanglement distillation for secure double-server blind quantum computation.

    PubMed

    Sheng, Yu-Bo; Zhou, Lan

    2015-01-15

    Blind quantum computation (BQC) provides an efficient method for the client who does not have enough sophisticated technology and knowledge to perform universal quantum computation. The single-server BQC protocol requires the client to have some minimum quantum ability, while the double-server BQC protocol makes the client's device completely classical, resorting to the pure and clean Bell state shared by two servers. Here, we provide a deterministic entanglement distillation protocol in a practical noisy environment for the double-server BQC protocol. This protocol can get the pure maximally entangled Bell state. The success probability can reach 100% in principle. The distilled maximally entangled states can be remaind to perform the BQC protocol subsequently. The parties who perform the distillation protocol do not need to exchange the classical information and they learn nothing from the client. It makes this protocol unconditionally secure and suitable for the future BQC protocol.

  1. Deterministic entanglement distillation for secure double-server blind quantum computation

    PubMed Central

    Sheng, Yu-Bo; Zhou, Lan

    2015-01-01

    Blind quantum computation (BQC) provides an efficient method for the client who does not have enough sophisticated technology and knowledge to perform universal quantum computation. The single-server BQC protocol requires the client to have some minimum quantum ability, while the double-server BQC protocol makes the client's device completely classical, resorting to the pure and clean Bell state shared by two servers. Here, we provide a deterministic entanglement distillation protocol in a practical noisy environment for the double-server BQC protocol. This protocol can get the pure maximally entangled Bell state. The success probability can reach 100% in principle. The distilled maximally entangled states can be remaind to perform the BQC protocol subsequently. The parties who perform the distillation protocol do not need to exchange the classical information and they learn nothing from the client. It makes this protocol unconditionally secure and suitable for the future BQC protocol. PMID:25588565

  2. Observations of deterministic chaos in financial time series by recurrence plots, can one control chaotic economy?

    NASA Astrophysics Data System (ADS)

    Hołyst, J. A.; Żebrowska, M.; Urbanowicz, K.

    2001-04-01

    Several economical time series such as exchange rates US$/British Pound, USA Treasure Bonds rates and Warsaw Stock Index WIG have been investigated using the method of recurrence plots. The percentage of recurrence REC and the percentage of determinism DET have been calculated for the original and for shuffled data. We have found that in some cases the values of REC and DET parameters are about 20% lower for the surrogate data which indicates the presence of unstable periodical orbits in the considered data. A similar result has been obtained for the chaotic Lorenz model contaminated by noise. Our investigations suggest that real economical dynamics is a mixture of deterministic and stochastic chaos. We show how a simple chaotic economic model can be controlled by appropriate influence of time-delayed feedback.

  3. Ground motion following selection of SRS design basis earthquake and associated deterministic approach. Final report: Revision 1

    SciTech Connect

    Not Available

    1991-03-01

    This report summarizes the results of a deterministic assessment of earthquake ground motions at the Savannah River Site (SRS). The purpose of this study is to assist the Environmental Sciences Section of the Savannah River Laboratory in reevaluating the design basis earthquake (DBE) ground motion at SRS during approaches defined in Appendix A to 10 CFR Part 100. This work is in support of the Seismic Engineering Section`s Seismic Qualification Program for reactor restart.

  4. Site-resolved measurement of microsecond-to-millisecond conformational-exchange processes in proteins by solid-state NMR spectroscopy.

    PubMed

    Tollinger, Martin; Sivertsen, Astrid C; Meier, Beat H; Ernst, Matthias; Schanda, Paul

    2012-09-12

    We demonstrate that conformational exchange processes in proteins on microsecond-to-millisecond time scales can be detected and quantified by solid-state NMR spectroscopy. We show two independent approaches that measure the effect of conformational exchange on transverse relaxation parameters, namely Carr-Purcell-Meiboom-Gill relaxation-dispersion experiments and measurement of differential multiple-quantum coherence decay. Long coherence lifetimes, as required for these experiments, are achieved by the use of highly deuterated samples and fast magic-angle spinning. The usefulness of the approaches is demonstrated by application to microcrystalline ubiquitin. We detect a conformational exchange process in a region of the protein for which dynamics have also been observed in solution. Interestingly, quantitative analysis of the data reveals that the exchange process is more than 1 order of magnitude slower than in solution, and this points to the impact of the crystalline environment on free energy barriers.

  5. A deterministic method for estimating attitude from magnetometer data only

    NASA Technical Reports Server (NTRS)

    Natanson, G. A.

    1992-01-01

    A new deterministic algorithm which estimates spacecraft attitude utilizing magnetometer data only is presented. This algorithm exploits the dynamic equations of motion to propagate attitude and thus requires knowledge of both internal and external torques, except in the special case of a spacecraft rotating with constant angular velocity. Preliminary results obtained for the uncontrolled Relay Mirror Experiment satellite utilizing real telemetry data are reported.

  6. A Unit on Deterministic Chaos for Student Teachers

    ERIC Educational Resources Information Center

    Stavrou, D.; Assimopoulos, S.; Skordoulis, C.

    2013-01-01

    A unit aiming to introduce pre-service teachers of primary education to the limited predictability of deterministic chaotic systems is presented. The unit is based on a commercial chaotic pendulum system connected with a data acquisition interface. The capabilities and difficulties in understanding the notion of limited predictability of 18…

  7. Deterministic retrieval of complex Green's functions using hard X rays.

    PubMed

    Vine, D J; Paganin, D M; Pavlov, K M; Uesugi, K; Takeuchi, A; Suzuki, Y; Yagi, N; Kämpfe, T; Kley, E-B; Förster, E

    2009-01-30

    A massively parallel deterministic method is described for reconstructing shift-invariant complex Green's functions. As a first experimental implementation, we use a single phase contrast x-ray image to reconstruct the complex Green's function associated with Bragg reflection from a thick perfect crystal. The reconstruction is in excellent agreement with a classic prediction of dynamical diffraction theory.

  8. Deterministic dense coding and faithful teleportation with multipartite graph states

    SciTech Connect

    Huang, C.-Y.; Yu, I-C.; Lin, F.-L.; Hsu, L.-Y.

    2009-05-15

    We propose schemes to perform the deterministic dense coding and faithful teleportation with multipartite graph states. We also find the sufficient and necessary condition of a viable graph state for the proposed schemes. That is, for the associated graph, the reduced adjacency matrix of the Tanner-type subgraph between senders and receivers should be invertible.

  9. A Deterministic Annealing Approach to Clustering AIRS Data

    NASA Technical Reports Server (NTRS)

    Guillaume, Alexandre; Braverman, Amy; Ruzmaikin, Alexander

    2012-01-01

    We will examine the validity of means and standard deviations as a basis for climate data products. We will explore the conditions under which these two simple statistics are inadequate summaries of the underlying empirical probability distributions by contrasting them with a nonparametric, method called Deterministic Annealing technique

  10. A Unit on Deterministic Chaos for Student Teachers

    ERIC Educational Resources Information Center

    Stavrou, D.; Assimopoulos, S.; Skordoulis, C.

    2013-01-01

    A unit aiming to introduce pre-service teachers of primary education to the limited predictability of deterministic chaotic systems is presented. The unit is based on a commercial chaotic pendulum system connected with a data acquisition interface. The capabilities and difficulties in understanding the notion of limited predictability of 18…

  11. Risk-based versus deterministic explosives safety criteria

    SciTech Connect

    Wright, R.E.

    1996-12-01

    The Department of Defense Explosives Safety Board (DDESB) is actively considering ways to apply risk-based approaches in its decision- making processes. As such, an understanding of the impact of converting to risk-based criteria is required. The objectives of this project are to examine the benefits and drawbacks of risk-based criteria and to define the impact of converting from deterministic to risk-based criteria. Conclusions will be couched in terms that allow meaningful comparisons of deterministic and risk-based approaches. To this end, direct comparisons of the consequences and impacts of both deterministic and risk-based criteria at selected military installations are made. Deterministic criteria used in this report are those in DoD 6055.9-STD, `DoD Ammunition and Explosives Safety Standard.` Risk-based criteria selected for comparison are those used by the government of Switzerland, `Technical Requirements for the Storage of Ammunition (TLM 75).` The risk-based criteria used in Switzerland were selected because they have been successfully applied for over twenty-five years.

  12. A Deterministic Annealing Approach to Clustering AIRS Data

    NASA Technical Reports Server (NTRS)

    Guillaume, Alexandre; Braverman, Amy; Ruzmaikin, Alexander

    2012-01-01

    We will examine the validity of means and standard deviations as a basis for climate data products. We will explore the conditions under which these two simple statistics are inadequate summaries of the underlying empirical probability distributions by contrasting them with a nonparametric, method called Deterministic Annealing technique

  13. Comparison of deterministic and Monte Carlo methods in shielding design.

    PubMed

    Oliveira, A D; Oliveira, C

    2005-01-01

    In shielding calculation, deterministic methods have some advantages and also some disadvantages relative to other kind of codes, such as Monte Carlo. The main advantage is the short computer time needed to find solutions while the disadvantages are related to the often-used build-up factor that is extrapolated from high to low energies or with unknown geometrical conditions, which can lead to significant errors in shielding results. The aim of this work is to investigate how good are some deterministic methods to calculating low-energy shielding, using attenuation coefficients and build-up factor corrections. Commercial software MicroShield 5.05 has been used as the deterministic code while MCNP has been used as the Monte Carlo code. Point and cylindrical sources with slab shield have been defined allowing comparison between the capability of both Monte Carlo and deterministic methods in a day-by-day shielding calculation using sensitivity analysis of significant parameters, such as energy and geometrical conditions.

  14. Linear-Time Recognizable Classes of Tree Languages by Deterministic Linear Pushdown Tree Automata

    NASA Astrophysics Data System (ADS)

    Fujiyoshi, Akio

    In this paper, we study deterministic linear pushdown tree automata (deterministic L-PDTAs) and some variations. Since recognition of an input tree by a deterministic L-PDTA can be done in linear time, deterministic L-PDTAs are applicable to many kinds of applications. A strict hierarchy will be shown among the classes of tree languages defined by a variety of deterministic L-PDTAs. It will be also shown that deterministic L-PDTAs are weakly equivalent to nondeterministic L-PDTAs.

  15. Empirical and deterministic accuracies of across-population genomic prediction.

    PubMed

    Wientjes, Yvonne C J; Veerkamp, Roel F; Bijma, Piter; Bovenhuis, Henk; Schrooten, Chris; Calus, Mario P L

    2015-02-06

    Differences in linkage disequilibrium and in allele substitution effects of QTL (quantitative trait loci) may hinder genomic prediction across populations. Our objective was to develop a deterministic formula to estimate the accuracy of across-population genomic prediction, for which reference individuals and selection candidates are from different populations, and to investigate the impact of differences in allele substitution effects across populations and of the number of QTL underlying a trait on the accuracy. A deterministic formula to estimate the accuracy of across-population genomic prediction was derived based on selection index theory. Moreover, accuracies were deterministically predicted using a formula based on population parameters and empirically calculated using simulated phenotypes and a GBLUP (genomic best linear unbiased prediction) model. Phenotypes of 1033 Holstein-Friesian, 105 Groninger White Headed and 147 Meuse-Rhine-Yssel cows were simulated by sampling 3000, 300, 30 or 3 QTL from the available high-density SNP (single nucleotide polymorphism) information of three chromosomes, assuming a correlation of 1.0, 0.8, 0.6, 0.4, or 0.2 between allele substitution effects across breeds. The simulated heritability was set to 0.95 to resemble the heritability of deregressed proofs of bulls. Accuracies estimated with the deterministic formula based on selection index theory were similar to empirical accuracies for all scenarios, while accuracies predicted with the formula based on population parameters overestimated empirical accuracies by ~25 to 30%. When the between-breed genetic correlation differed from 1, i.e. allele substitution effects differed across breeds, empirical and deterministic accuracies decreased in proportion to the genetic correlation. Using a multi-trait model, it was possible to accurately estimate the genetic correlation between the breeds based on phenotypes and high-density genotypes. The number of QTL underlying the simulated

  16. The Department of Veterans Affairs' (VA) implementation of the Virtual Lifetime Electronic Record (VLER): findings and lessons learned from Health Information Exchange at 12 sites.

    PubMed

    Byrne, Colene M; Mercincavage, Lauren M; Bouhaddou, Omar; Bennett, Jamie R; Pan, Eric C; Botts, Nathan E; Olinger, Lois M; Hunolt, Elaine; Banty, Karl H; Cromwell, Tim

    2014-08-01

    We describe the Department of Veterans Affairs' (VA) Virtual Lifetime Health Electronic Record (VLER) pilot phase in 12 communities to exchange health information with private sector health care organizations and the Department of Defense (DoD), key findings, lessons, and implications for advancing Health Information Exchanges (HIE), nationally. A mixed methods approach was used to monitor and evaluate the status of VLER Health Exchange pilot phase implementation from December 2009 through October 2012. Selected accomplishments, contributions, challenges, and early lessons that are relevant to the growth of nationwide HIE are discussed. Veteran patient and provider acceptance, trust, and perceived value of VLER Health Exchange are found to be high, and usage by providers is steadily growing. Challenges and opportunities to improve provider use are identified, such as better data quality and integration with workflow. Key findings and lessons for advancing HIE are identified. VLER Health Exchange has made great strides in advancing HIE nationally by addressing important technical and policy issues that have impeded scalability, and by increasing trust and confidence in the value and accuracy of HIE among users. VLER Health Exchange has advanced HIE interoperability standards and patient consent policies nationally. Policy, programmatic, technology, and health Information Technology (IT) standards implications to advance HIE for improved delivery and coordination of health care are discussed. The pilot phase success led to VA-wide deployment of this data sharing capability in 2013. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  17. Application of the Neo-Deterministic Seismic Microzonation Procedure in Bulgaria and Validation of the Seismic Input Against Eurocode 8

    SciTech Connect

    Ivanka, Paskaleva; Mihaela, Kouteva; Franco, Vaccari; Panza, Giuliano F.

    2008-07-08

    The earthquake record and the Code for design and construction in seismic regions in Bulgaria have shown that the territory of the Republic of Bulgaria is exposed to a high seismic risk due to local shallow and regional strong intermediate-depth seismic sources. The available strong motion database is quite limited, and therefore not representative at all of the real hazard. The application of the neo-deterministic seismic hazard assessment procedure for two main Bulgarian cities has been capable to supply a significant database of synthetic strong motions for the target sites, applicable for earthquake engineering purposes. The main advantage of the applied deterministic procedure is the possibility to take simultaneously and correctly into consideration the contribution to the earthquake ground motion at the target sites of the seismic source and of the seismic wave propagation in the crossed media. We discuss in this study the result of some recent applications of the neo-deterministic seismic microzonation procedure to the cities of Sofia and Russe. The validation of the theoretically modeled seismic input against Eurocode 8 and the few available records at these sites is discussed.

  18. Constructing stochastic models from deterministic process equations by propensity adjustment

    PubMed Central

    2011-01-01

    Background Gillespie's stochastic simulation algorithm (SSA) for chemical reactions admits three kinds of elementary processes, namely, mass action reactions of 0th, 1st or 2nd order. All other types of reaction processes, for instance those containing non-integer kinetic orders or following other types of kinetic laws, are assumed to be convertible to one of the three elementary kinds, so that SSA can validly be applied. However, the conversion to elementary reactions is often difficult, if not impossible. Within deterministic contexts, a strategy of model reduction is often used. Such a reduction simplifies the actual system of reactions by merging or approximating intermediate steps and omitting reactants such as transient complexes. It would be valuable to adopt a similar reduction strategy to stochastic modelling. Indeed, efforts have been devoted to manipulating the chemical master equation (CME) in order to achieve a proper propensity function for a reduced stochastic system. However, manipulations of CME are almost always complicated, and successes have been limited to relative simple cases. Results We propose a rather general strategy for converting a deterministic process model into a corresponding stochastic model and characterize the mathematical connections between the two. The deterministic framework is assumed to be a generalized mass action system and the stochastic analogue is in the format of the chemical master equation. The analysis identifies situations: where a direct conversion is valid; where internal noise affecting the system needs to be taken into account; and where the propensity function must be mathematically adjusted. The conversion from deterministic to stochastic models is illustrated with several representative examples, including reversible reactions with feedback controls, Michaelis-Menten enzyme kinetics, a genetic regulatory motif, and stochastic focusing. Conclusions The construction of a stochastic model for a biochemical

  19. Estimation of seismic ground motions using deterministic approach for major cities of Gujarat

    NASA Astrophysics Data System (ADS)

    Shukla, J.; Choudhury, D.

    2012-06-01

    A deterministic seismic hazard analysis has been carried out for various sites of the major cities (Ahmedabad, Surat, Bhuj, Jamnagar and Junagadh) of the Gujarat region in India to compute the seismic hazard exceeding a certain level in terms of peak ground acceleration (PGA) and to estimate maximum possible PGA at each site at bed rock level. The seismic sources in Gujarat are very uncertain and recurrence intervals of regional large earthquakes are not well defined. Because the instrumental records of India specifically in the Gujarat region are far from being satisfactory for modeling the seismic hazard using the probabilistic approach, an attempt has been made in this study to accomplish it through the deterministic approach. In this regard, all small and large faults of the Gujarat region were evaluated to obtain major fault systems. The empirical relations suggested by earlier researchers for the estimation of maximum magnitude of earthquake motion with various properties of faults like length, surface area, slip rate, etc. have been applied to those faults to obtain the maximum earthquake magnitude. For the analysis, seven different ground motion attenuation relations (GMARs) of strong ground motion have been utilized to calculate the maximum horizontal ground accelerations for each major city of Gujarat. Epistemic uncertainties in the hazard computations are accounted for within a logic-tree framework by considering the controlling parameters like b-value, maximum magnitude and ground motion attenuation relations (GMARs). The corresponding deterministic spectra have been prepared for each major city for the 50th and 84th percentiles of ground motion occurrence. These deterministic spectra are further compared with the specified spectra of Indian design code IS:1893-Part I (2002) to validate them for further practical use. Close examination of the developed spectra reveals that the expected ground motion values become high for the Kachchh region i.e. Bhuj

  20. Computing exponentially faster: implementing a non-deterministic universal Turing machine using DNA.

    PubMed

    Currin, Andrew; Korovin, Konstantin; Ababi, Maria; Roper, Katherine; Kell, Douglas B; Day, Philip J; King, Ross D

    2017-03-01

    The theory of computer science is based around universal Turing machines (UTMs): abstract machines able to execute all possible algorithms. Modern digital computers are physical embodiments of classical UTMs. For the most important class of problem in computer science, non-deterministic polynomial complete problems, non-deterministic UTMs (NUTMs) are theoretically exponentially faster than both classical UTMs and quantum mechanical UTMs (QUTMs). However, no attempt has previously been made to build an NUTM, and their construction has been regarded as impossible. Here, we demonstrate the first physical design of an NUTM. This design is based on Thue string rewriting systems, and thereby avoids the limitations of most previous DNA computing schemes: all the computation is local (simple edits to strings) so there is no need for communication, and there is no need to order operations. The design exploits DNA's ability to replicate to execute an exponential number of computational paths in P time. Each Thue rewriting step is embodied in a DNA edit implemented using a novel combination of polymerase chain reactions and site-directed mutagenesis. We demonstrate that the design works using both computational modelling and in vitro molecular biology experimentation: the design is thermodynamically favourable, microprogramming can be used to encode arbitrary Thue rules, all classes of Thue rule can be implemented, and non-deterministic rule implementation. In an NUTM, the resource limitation is space, which contrasts with classical UTMs and QUTMs where it is time. This fundamental difference enables an NUTM to trade space for time, which is significant for both theoretical computer science and physics. It is also of practical importance, for to quote Richard Feynman 'there's plenty of room at the bottom'. This means that a desktop DNA NUTM could potentially utilize more processors than all the electronic computers in the world combined, and thereby outperform the world

  1. Computing exponentially faster: implementing a non-deterministic universal Turing machine using DNA

    PubMed Central

    Currin, Andrew; Korovin, Konstantin; Ababi, Maria; Roper, Katherine; Kell, Douglas B.; Day, Philip J.

    2017-01-01

    The theory of computer science is based around universal Turing machines (UTMs): abstract machines able to execute all possible algorithms. Modern digital computers are physical embodiments of classical UTMs. For the most important class of problem in computer science, non-deterministic polynomial complete problems, non-deterministic UTMs (NUTMs) are theoretically exponentially faster than both classical UTMs and quantum mechanical UTMs (QUTMs). However, no attempt has previously been made to build an NUTM, and their construction has been regarded as impossible. Here, we demonstrate the first physical design of an NUTM. This design is based on Thue string rewriting systems, and thereby avoids the limitations of most previous DNA computing schemes: all the computation is local (simple edits to strings) so there is no need for communication, and there is no need to order operations. The design exploits DNA's ability to replicate to execute an exponential number of computational paths in P time. Each Thue rewriting step is embodied in a DNA edit implemented using a novel combination of polymerase chain reactions and site-directed mutagenesis. We demonstrate that the design works using both computational modelling and in vitro molecular biology experimentation: the design is thermodynamically favourable, microprogramming can be used to encode arbitrary Thue rules, all classes of Thue rule can be implemented, and non-deterministic rule implementation. In an NUTM, the resource limitation is space, which contrasts with classical UTMs and QUTMs where it is time. This fundamental difference enables an NUTM to trade space for time, which is significant for both theoretical computer science and physics. It is also of practical importance, for to quote Richard Feynman ‘there's plenty of room at the bottom’. This means that a desktop DNA NUTM could potentially utilize more processors than all the electronic computers in the world combined, and thereby outperform the world

  2. Deterministically Polarized Fluorescence from Single Dye Molecules Aligned in Liquid Crystal Host

    SciTech Connect

    Lukishova, S.G.; Schmid, A.W.; Knox, R.; Freivald, P.; Boyd, R. W.; Stroud, Jr., C. R.; Marshall, K.L.

    2005-09-30

    We demonstrated for the first time to our konwledge deterministically polarized fluorescence from single dye molecules. Planar aligned nematic liquid crystal hosts provide deterministic alignment of single dye molecules in a preferred direction.

  3. Ecosystem CO2 Exchange Across Semiarid Southwestern North America: A Synthesis of Multi-Year Flux Site Observations and its Comparison with Estimates from Terrestrial Biome Models and Remote Sensing

    NASA Astrophysics Data System (ADS)

    Biederman, J. A.; Scott, R. L.; Goulden, M.; Litvak, M. E.; Kolb, T.; Yepez, E. A.; Garatuza, J.; Oechel, W. C.; Krofcheck, D. J.; Ponce-Campos, G. E.; Bowling, D. R.; Meyers, T. P.; Maurer, G.

    2016-12-01

    Global carbon cycle studies reveal that semiarid ecosystems dominate the increasing trend and interannual variability of the land CO2 sink. However, the regional terrestrial biome models (TBM) and remote sensing products (RSP) used in large-scale analyses are poorly constrained by ecosystem flux measurements in semiarid regions, which are under-represented in global flux datasets. Here we present eddy covariance measurements from 25 diverse ecosystems in semiarid southwestern North America with ranges in annual precipitation of 100 - 1000 mm, annual temperatures of 2 - 25 °C, and records of 3 - 10 years each (150 site-years in total). We identified seven subregions with unique seasonal dynamics in climate and ecosystem-atmosphere exchange, including net and gross CO2 exchange (photosynthesis and respiration) and evapotranspiration (ET), and we evaluated how well measured dynamics were captured by satellite-based greenness observations of the Enhanced Vegetation Index (EVI). Annual flux integrals were calculated based on site-appropriate ecohydrologic years. Net ecosystem production (NEP) varied between -550 and + 420 g C m-2, highlighting the wide range of regional sink/source function. Annual photosynthesis and respiration were positively related to water availability but were suppressed in warmer years at a given site and at climatically warmer sites, in contrast to positive temperature responses at wetter sites. When precipitation anomalies were spatially coherent across sites (e.g. related to El Niño Southern Oscillation), we found large regional annual anomalies in net and gross CO2 uptake. TBM and RSP were less effective in capturing spatial gradients in mean ET and CO2 exchange across this semiarid region as compared to wetter regions. Measured interannual variability of ET and gross CO2 exchange was 3 - 5 times larger than estimates from TBM or RSP. These results suggest that semiarid regions play an even larger role in regulating interannual variability

  4. Deterministic error correction for nonlocal spatial-polarization hyperentanglement.

    PubMed

    Li, Tao; Wang, Guan-Yu; Deng, Fu-Guo; Long, Gui-Lu

    2016-02-10

    Hyperentanglement is an effective quantum source for quantum communication network due to its high capacity, low loss rate, and its unusual character in teleportation of quantum particle fully. Here we present a deterministic error-correction scheme for nonlocal spatial-polarization hyperentangled photon pairs over collective-noise channels. In our scheme, the spatial-polarization hyperentanglement is first encoded into a spatial-defined time-bin entanglement with identical polarization before it is transmitted over collective-noise channels, which leads to the error rejection of the spatial entanglement during the transmission. The polarization noise affecting the polarization entanglement can be corrected with a proper one-step decoding procedure. The two parties in quantum communication can, in principle, obtain a nonlocal maximally entangled spatial-polarization hyperentanglement in a deterministic way, which makes our protocol more convenient than others in long-distance quantum communication.

  5. On the secure obfuscation of deterministic finite automata.

    SciTech Connect

    Anderson, William Erik

    2008-06-01

    In this paper, we show how to construct secure obfuscation for Deterministic Finite Automata, assuming non-uniformly strong one-way functions exist. We revisit the software protection approaches originally proposed by [5, 10, 12, 17] and revise them to the current obfuscation setting of Barak et al. [2]. Under this model, we introduce an efficient oracle that retains some 'small' secret about the original program. Using this secret, we can construct an obfuscator and two-party protocol that securely obfuscates Deterministic Finite Automata against malicious adversaries. The security of this model retains the strong 'virtual black box' property originally proposed in [2] while incorporating the stronger condition of dependent auxiliary inputs in [15]. Additionally, we show that our techniques remain secure under concurrent self-composition with adaptive inputs and that Turing machines are obfuscatable under this model.

  6. Deterministic remote two-qubit state preparation in dissipative environments

    NASA Astrophysics Data System (ADS)

    Li, Jin-Fang; Liu, Jin-Ming; Feng, Xun-Li; Oh, C. H.

    2016-05-01

    We propose a new scheme for efficient remote preparation of an arbitrary two-qubit state, introducing two auxiliary qubits and using two Einstein-Podolsky-Rosen (EPR) states as the quantum channel in a non-recursive way. At variance with all existing schemes, our scheme accomplishes deterministic remote state preparation (RSP) with only one sender and the simplest entangled resource (say, EPR pairs). We construct the corresponding quantum logic circuit using a unitary matrix decomposition procedure and analytically obtain the average fidelity of the deterministic RSP process for dissipative environments. Our studies show that, while the average fidelity gradually decreases to a stable value without any revival in the Markovian regime, it decreases to the same stable value with a dampened revival amplitude in the non-Markovian regime. We also find that the average fidelity's approximate maximal value can be preserved for a long time if the non-Markovian and the detuning conditions are satisfied simultaneously.

  7. Deterministic generation of multiparticle entanglement by quantum Zeno dynamics.

    PubMed

    Barontini, Giovanni; Hohmann, Leander; Haas, Florian; Estève, Jérôme; Reichel, Jakob

    2015-09-18

    Multiparticle entangled quantum states, a key resource in quantum-enhanced metrology and computing, are usually generated by coherent operations exclusively. However, unusual forms of quantum dynamics can be obtained when environment coupling is used as part of the state generation. In this work, we used quantum Zeno dynamics (QZD), based on nondestructive measurement with an optical microcavity, to deterministically generate different multiparticle entangled states in an ensemble of 36 qubit atoms in less than 5 microseconds. We characterized the resulting states by performing quantum tomography, yielding a time-resolved account of the entanglement generation. In addition, we studied the dependence of quantum states on measurement strength and quantified the depth of entanglement. Our results show that QZD is a versatile tool for fast and deterministic entanglement generation in quantum engineering applications. Copyright © 2015, American Association for the Advancement of Science.

  8. Towards a quasi-deterministic single-photon source

    NASA Astrophysics Data System (ADS)

    Peters, N. A.; Arnold, K. J.; VanDevender, A. P.; Jeffrey, E. R.; Rangarajan, R.; Hosten, O.; Barreiro, J. T.; Altepeter, J. B.; Kwiat, P. G.

    2006-08-01

    A source of single photons allows secure quantum key distribution, in addition, to being a critical resource for linear optics quantum computing. We describe our progress on deterministically creating single photons from spontaneous parametric downconversion, an extension of the Pittman, Jacobs and Franson scheme [Phys. Rev A, v66, 042303 (2002)]. Their idea was to conditionally prepare single photons by measuring one member of a spontaneously emitted photon pair and storing the remaining conditionally prepared photon until a predetermined time, when it would be "deterministically" released from storage. Our approach attempts to improve upon this by recycling the pump pulse in order to decrease the possibility of multiple-pair generation, while maintaining a high probability of producing a single pair. Many of the challenges we discuss are central to other quantum information technologies, including the need for low-loss optical storage, switching and detection, and fast feed-forward control.

  9. Deterministic control of ferroelastic switching in multiferroic materials.

    PubMed

    Balke, N; Choudhury, S; Jesse, S; Huijben, M; Chu, Y H; Baddorf, A P; Chen, L Q; Ramesh, R; Kalinin, S V

    2009-12-01

    Multiferroic materials showing coupled electric, magnetic and elastic orderings provide a platform to explore complexity and new paradigms for memory and logic devices. Until now, the deterministic control of non-ferroelectric order parameters in multiferroics has been elusive. Here, we demonstrate deterministic ferroelastic switching in rhombohedral BiFeO(3) by domain nucleation with a scanning probe. We are able to select among final states that have the same electrostatic energy, but differ dramatically in elastic or magnetic order, by applying voltage to the probe while it is in lateral motion. We also demonstrate the controlled creation of a ferrotoroidal order parameter. The ability to control local elastic, magnetic and torroidal order parameters with an electric field will make it possible to probe local strain and magnetic ordering, and engineer various magnetoelectric, domain-wall-based and strain-coupled devices.

  10. Theory of Deterministic Entanglement Generation between Remote Superconducting Atoms

    NASA Astrophysics Data System (ADS)

    Koshino, K.; Inomata, K.; Lin, Z. R.; Tokunaga, Y.; Yamamoto, T.; Nakamura, Y.

    2017-06-01

    Entangling remote qubits is an essential technological element in the distributed quantum information processing. Here, we propose a deterministic scheme to generate maximal entanglement between remote superconducting atoms, using a propagating microwave photon as a flying qubit. The building block of this scheme is an atom-photon two-qubit gate, in which the photon qubit is encoded on its carrier frequencies. The gate operation completes deterministically upon reflection of a photon, and the gate type can be continuously varied (including swap, √{SWAP } , and identity gates) through in situ control of the drive field. Applying such atom-photon gates sequentially, we can perform various gate operations between remote superconducting atoms.

  11. Approaches to implementing deterministic models in a probabilistic framework

    SciTech Connect

    Talbott, D.V.

    1995-04-01

    The increasing use of results from probabilistic risk assessments in the decision-making process makes it ever more important to eliminate simplifications in probabilistic models that might lead to conservative results. One area in which conservative simplifications are often made is modeling the physical interactions that occur during the progression of an accident sequence. This paper demonstrates and compares different approaches for incorporating deterministic models of physical parameters into probabilistic models; parameter range binning, response curves, and integral deterministic models. An example that combines all three approaches in a probabilistic model for the handling of an energetic material (i.e. high explosive, rocket propellant,...) is then presented using a directed graph model.

  12. Deterministic error correction for nonlocal spatial-polarization hyperentanglement

    NASA Astrophysics Data System (ADS)

    Li, Tao; Wang, Guan-Yu; Deng, Fu-Guo; Long, Gui-Lu

    2016-02-01

    Hyperentanglement is an effective quantum source for quantum communication network due to its high capacity, low loss rate, and its unusual character in teleportation of quantum particle fully. Here we present a deterministic error-correction scheme for nonlocal spatial-polarization hyperentangled photon pairs over collective-noise channels. In our scheme, the spatial-polarization hyperentanglement is first encoded into a spatial-defined time-bin entanglement with identical polarization before it is transmitted over collective-noise channels, which leads to the error rejection of the spatial entanglement during the transmission. The polarization noise affecting the polarization entanglement can be corrected with a proper one-step decoding procedure. The two parties in quantum communication can, in principle, obtain a nonlocal maximally entangled spatial-polarization hyperentanglement in a deterministic way, which makes our protocol more convenient than others in long-distance quantum communication.

  13. Autocatalytic genetic networks modeled by piecewise-deterministic Markov processes.

    PubMed

    Zeiser, Stefan; Franz, Uwe; Liebscher, Volkmar

    2010-02-01

    In the present work we propose an alternative approach to model autocatalytic networks, called piecewise-deterministic Markov processes. These were originally introduced by Davis in 1984. Such a model allows for random transitions between the active and inactive state of a gene, whereas subsequent transcription and translation processes are modeled in a deterministic manner. We consider three types of autoregulated networks, each based on a positive feedback loop. It is shown that if the densities of the stationary distributions exist, they are the solutions of a system of equations for a one-dimensional correlated random walk. These stationary distributions are determined analytically. Further, the distributions are analyzed for different simulation periods and different initial concentration values by numerical means. We show that, depending on the network structure, beside a binary response also a graded response is observable.

  14. Deterministic algorithm with agglomerative heuristic for location problems

    NASA Astrophysics Data System (ADS)

    Kazakovtsev, L.; Stupina, A.

    2015-10-01

    Authors consider the clustering problem solved with the k-means method and p-median problem with various distance metrics. The p-median problem and the k-means problem as its special case are most popular models of the location theory. They are implemented for solving problems of clustering and many practically important logistic problems such as optimal factory or warehouse location, oil or gas wells, optimal drilling for oil offshore, steam generators in heavy oil fields. Authors propose new deterministic heuristic algorithm based on ideas of the Information Bottleneck Clustering and genetic algorithms with greedy heuristic. In this paper, results of running new algorithm on various data sets are given in comparison with known deterministic and stochastic methods. New algorithm is shown to be significantly faster than the Information Bottleneck Clustering method having analogous preciseness.

  15. Bayesian theory of probabilistic forecasting via deterministic hydrologic model

    NASA Astrophysics Data System (ADS)

    Krzysztofowicz, Roman

    1999-09-01

    Rational decision making (for flood warning, navigation, or reservoir systems) requires that the total uncertainty about a hydrologic predictand (such as river stage, discharge, or runoff volume) be quantified in terms of a probability distribution, conditional on all available information and knowledge. Hydrologic knowledge is typically embodied in a deterministic catchment model. Fundamentals are presented of a Bayesian forecasting system (BFS) for producing a probabilistic forecast of a hydrologic predictand via any deterministic catchment model. The BFS decomposes the total uncertainty into input uncertainty and hydrologic uncertainty, which are quantified independently and then integrated into a predictive (Bayes) distribution. This distribution results from a revision of a prior (climatic) distribution, is well calibrated, and has a nonnegative ex ante economic value. The BFS is compared with Monte Carlo simulation and "ensemble forecasting" technique, none of which can alone produce a probabilistic forecast that meets requirements of rational decision making, but each can serve as a component of the BFS.

  16. Nano transfer and nanoreplication using deterministically grown sacrificial nanotemplates

    DOEpatents

    Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E [Greenback, TN; Guillorn, Michael A [Ithaca, NY; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TX; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

    2012-03-27

    Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. An apparatus, includes a substrate and a nanoconduit material coupled to a surface of the substrate. The substrate defines an aperture and the nanoconduit material defines a nanoconduit that is i) contiguous with the aperture and ii) aligned substantially non-parallel to a plane defined by the surface of the substrate.

  17. The deterministic SIS epidemic model in a Markovian random environment.

    PubMed

    Economou, Antonis; Lopez-Herrero, Maria Jesus

    2016-07-01

    We consider the classical deterministic susceptible-infective-susceptible epidemic model, where the infection and recovery rates depend on a background environmental process that is modeled by a continuous time Markov chain. This framework is able to capture several important characteristics that appear in the evolution of real epidemics in large populations, such as seasonality effects and environmental influences. We propose computational approaches for the determination of various distributions that quantify the evolution of the number of infectives in the population.

  18. A deterministic algorithm for constrained enumeration of transmembrane protein folds.

    SciTech Connect

    Brown, William Michael; Young, Malin M.; Sale, Kenneth L.; Faulon, Jean-Loup Michel; Schoeniger, Joseph S.

    2004-07-01

    A deterministic algorithm for enumeration of transmembrane protein folds is presented. Using a set of sparse pairwise atomic distance constraints (such as those obtained from chemical cross-linking, FRET, or dipolar EPR experiments), the algorithm performs an exhaustive search of secondary structure element packing conformations distributed throughout the entire conformational space. The end result is a set of distinct protein conformations, which can be scored and refined as part of a process designed for computational elucidation of transmembrane protein structures.

  19. Glass-ceramics: deterministic microgrinding, lapping, and polishing

    NASA Astrophysics Data System (ADS)

    Lambropoulos, John C.; Gillman, Birgit E.; Zhou, Yiyang; Jacobs, Stephen D.; Stevens, Harrie J.

    1997-10-01

    Glass-ceramics are composites consisting of glass and crystalline phases. We report a series of microgrinding and polishing experiments: our first goal is to correlate material mechanical properties with the quality of the resulting surface, determined by surface microroughness and surface grinding-induced residual stresses. Our second goal is to compare deterministic microgrinding and loose abrasive microgrinding in terms of material removal rates and resulting surface quality.

  20. Pathological tremors: Deterministic chaos or nonlinear stochastic oscillators?

    NASA Astrophysics Data System (ADS)

    Timmer, Jens; Häußler, Siegfried; Lauk, Michael; Lücking, Carl

    2000-02-01

    Pathological tremors exhibit a nonlinear oscillation that is not strictly periodic. We investigate whether the deviation from periodicity is due to nonlinear deterministic chaotic dynamics or due to nonlinear stochastic dynamics. To do so, we apply methods from linear and nonlinear time series analysis to tremor time series. The results of the different methods suggest that the considered types of pathological tremors represent nonlinear stochastic second order processes.

  1. Deterministic chaos control in neural networks on various topologies

    NASA Astrophysics Data System (ADS)

    Neto, A. J. F.; Lima, F. W. S.

    2017-01-01

    Using numerical simulations, we study the control of deterministic chaos in neural networks on various topologies like Voronoi-Delaunay, Barabási-Albert, Small-World networks and Erdös-Rényi random graphs by "pinning" the state of a "special" neuron. We show that the chaotic activity of the networks or graphs, when control is on, can become constant or periodic.

  2. Efficient deterministic secure quantum communication protocols using multipartite entangled states

    NASA Astrophysics Data System (ADS)

    Joy, Dintomon; Surendran, Supin P.; Sabir, M.

    2017-06-01

    We propose two deterministic secure quantum communication protocols employing three-qubit GHZ-like states and five-qubit Brown states as quantum channels for secure transmission of information in units of two bits and three bits using multipartite teleportation schemes developed here. In these schemes, the sender's capability in selecting quantum channels and the measuring bases leads to improved qubit efficiency of the protocols.

  3. Deterministic Migration-Based Separation of White Blood Cells.

    PubMed

    Kim, Byeongyeon; Choi, Young Joon; Seo, Hyekyung; Shin, Eui-Cheol; Choi, Sungyoung

    2016-10-01

    Functional and phenotypic analyses of peripheral white blood cells provide useful clinical information. However, separation of white blood cells from peripheral blood requires a time-consuming, inconvenient process and thus analyses of separated white blood cells are limited in clinical settings. To overcome this limitation, a microfluidic separation platform is developed to enable deterministic migration of white blood cells, directing the cells into designated positions according to a ridge pattern. The platform uses slant ridge structures on the channel top to induce the deterministic migration, which allows efficient and high-throughput separation of white blood cells from unprocessed whole blood. The extent of the deterministic migration under various rheological conditions is explored, enabling highly efficient migration of white blood cells in whole blood and achieving high-throughput separation of the cells (processing 1 mL of whole blood less than 7 min). In the separated cell population, the composition of lymphocyte subpopulations is well preserved, and T cells secrete cytokines without any functional impairment. On the basis of the results, this microfluidic platform is a promising tool for the rapid enrichment of white blood cells, and it is useful for functional and phenotypic analyses of peripheral white blood cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Iterative acceleration methods for Monte Carlo and deterministic criticality calculations

    SciTech Connect

    Urbatsch, T.J.

    1995-11-01

    If you have ever given up on a nuclear criticality calculation and terminated it because it took so long to converge, you might find this thesis of interest. The author develops three methods for improving the fission source convergence in nuclear criticality calculations for physical systems with high dominance ratios for which convergence is slow. The Fission Matrix Acceleration Method and the Fission Diffusion Synthetic Acceleration (FDSA) Method are acceleration methods that speed fission source convergence for both Monte Carlo and deterministic methods. The third method is a hybrid Monte Carlo method that also converges for difficult problems where the unaccelerated Monte Carlo method fails. The author tested the feasibility of all three methods in a test bed consisting of idealized problems. He has successfully accelerated fission source convergence in both deterministic and Monte Carlo criticality calculations. By filtering statistical noise, he has incorporated deterministic attributes into the Monte Carlo calculations in order to speed their source convergence. He has used both the fission matrix and a diffusion approximation to perform unbiased accelerations. The Fission Matrix Acceleration method has been implemented in the production code MCNP and successfully applied to a real problem. When the unaccelerated calculations are unable to converge to the correct solution, they cannot be accelerated in an unbiased fashion. A Hybrid Monte Carlo method weds Monte Carlo and a modified diffusion calculation to overcome these deficiencies. The Hybrid method additionally possesses reduced statistical errors.

  5. Deterministic generation of remote entanglement with active quantum feedback

    SciTech Connect

    Martin, Leigh; Motzoi, Felix; Li, Hanhan; Sarovar, Mohan; Whaley, K. Birgitta

    2015-12-10

    We develop and study protocols for deterministic remote entanglement generation using quantum feedback, without relying on an entangling Hamiltonian. In order to formulate the most effective experimentally feasible protocol, we introduce the notion of average-sense locally optimal feedback protocols, which do not require real-time quantum state estimation, a difficult component of real-time quantum feedback control. We use this notion of optimality to construct two protocols that can deterministically create maximal entanglement: a semiclassical feedback protocol for low-efficiency measurements and a quantum feedback protocol for high-efficiency measurements. The latter reduces to direct feedback in the continuous-time limit, whose dynamics can be modeled by a Wiseman-Milburn feedback master equation, which yields an analytic solution in the limit of unit measurement efficiency. Our formalism can smoothly interpolate between continuous-time and discrete-time descriptions of feedback dynamics and we exploit this feature to derive a superior hybrid protocol for arbitrary nonunit measurement efficiency that switches between quantum and semiclassical protocols. Lastly, we show using simulations incorporating experimental imperfections that deterministic entanglement of remote superconducting qubits may be achieved with current technology using the continuous-time feedback protocol alone.

  6. Deterministic generation of remote entanglement with active quantum feedback

    DOE PAGES

    Martin, Leigh; Motzoi, Felix; Li, Hanhan; ...

    2015-12-10

    We develop and study protocols for deterministic remote entanglement generation using quantum feedback, without relying on an entangling Hamiltonian. In order to formulate the most effective experimentally feasible protocol, we introduce the notion of average-sense locally optimal feedback protocols, which do not require real-time quantum state estimation, a difficult component of real-time quantum feedback control. We use this notion of optimality to construct two protocols that can deterministically create maximal entanglement: a semiclassical feedback protocol for low-efficiency measurements and a quantum feedback protocol for high-efficiency measurements. The latter reduces to direct feedback in the continuous-time limit, whose dynamics can bemore » modeled by a Wiseman-Milburn feedback master equation, which yields an analytic solution in the limit of unit measurement efficiency. Our formalism can smoothly interpolate between continuous-time and discrete-time descriptions of feedback dynamics and we exploit this feature to derive a superior hybrid protocol for arbitrary nonunit measurement efficiency that switches between quantum and semiclassical protocols. Lastly, we show using simulations incorporating experimental imperfections that deterministic entanglement of remote superconducting qubits may be achieved with current technology using the continuous-time feedback protocol alone.« less

  7. How Does Quantum Uncertainty Emerge from Deterministic Bohmian Mechanics?

    NASA Astrophysics Data System (ADS)

    Solé, A.; Oriols, X.; Marian, D.; Zanghì, N.

    2016-10-01

    Bohmian mechanics is a theory that provides a consistent explanation of quantum phenomena in terms of point particles whose motion is guided by the wave function. In this theory, the state of a system of particles is defined by the actual positions of the particles and the wave function of the system; and the state of the system evolves deterministically. Thus, the Bohmian state can be compared with the state in classical mechanics, which is given by the positions and momenta of all the particles, and which also evolves deterministically. However, while in classical mechanics it is usually taken for granted and considered unproblematic that the state is, at least in principle, measurable, this is not the case in Bohmian mechanics. Due to the linearity of the quantum dynamical laws, one essential component of the Bohmian state, the wave function, is not directly measurable. Moreover, it turns out that the measurement of the other component of the state — the positions of the particles — must be mediated by the wave function; a fact that in turn implies that the positions of the particles, though measurable, are constrained by absolute uncertainty. This is the key to understanding how Bohmian mechanics, despite being deterministic, can account for all quantum predictions, including quantum randomness and uncertainty.

  8. Demographic noise can reverse the direction of deterministic selection

    PubMed Central

    Constable, George W. A.; Rogers, Tim; McKane, Alan J.; Tarnita, Corina E.

    2016-01-01

    Deterministic evolutionary theory robustly predicts that populations displaying altruistic behaviors will be driven to extinction by mutant cheats that absorb common benefits but do not themselves contribute. Here we show that when demographic stochasticity is accounted for, selection can in fact act in the reverse direction to that predicted deterministically, instead favoring cooperative behaviors that appreciably increase the carrying capacity of the population. Populations that exist in larger numbers experience a selective advantage by being more stochastically robust to invasions than smaller populations, and this advantage can persist even in the presence of reproductive costs. We investigate this general effect in the specific context of public goods production and find conditions for stochastic selection reversal leading to the success of public good producers. This insight, developed here analytically, is missed by the deterministic analysis as well as by standard game theoretic models that enforce a fixed population size. The effect is found to be amplified by space; in this scenario we find that selection reversal occurs within biologically reasonable parameter regimes for microbial populations. Beyond the public good problem, we formulate a general mathematical framework for models that may exhibit stochastic selection reversal. In this context, we describe a stochastic analog to r−K theory, by which small populations can evolve to higher densities in the absence of disturbance. PMID:27450085

  9. Probabilistic vs deterministic views in facing natural hazards

    NASA Astrophysics Data System (ADS)

    Arattano, Massimo; Coviello, Velio

    2015-04-01

    Natural hazards can be mitigated through active or passive measures. Among these latter countermeasures, Early Warning Systems (EWSs) are playing an increasing and significant role. In particular, a growing number of studies investigate the reliability of landslide EWSs, their comparability to alternative protection measures and their cost-effectiveness. EWSs, however, inevitably and intrinsically imply the concept of probability of occurrence and/or probability of error. Since a long time science has accepted and integrated the probabilistic nature of reality and its phenomena. The same cannot be told for other fields of knowledge, such as law or politics, with which scientists sometimes have to interact. These disciplines are in fact still linked to more deterministic views of life. The same is true for what is perceived by the public opinion, which often requires or even pretends a deterministic type of answer to its needs. So, as an example, it might be easy for people to feel completely safe because an EWS has been installed. It is also easy for an administrator or a politician to contribute to spread this wrong feeling, together with the idea of having dealt with the problem and done something definitive to face it. May geoethics play a role to create a link between the probabilistic world of nature and science and the tendency of the society to a more deterministic view of things? Answering this question could help scientists to feel more confident in planning and performing their research activities.

  10. Deterministic form correction of extreme freeform optical surfaces

    NASA Astrophysics Data System (ADS)

    Lynch, Timothy P.; Myer, Brian W.; Medicus, Kate; DeGroote Nelson, Jessica

    2015-10-01

    The blistering pace of recent technological advances has led lens designers to rely increasingly on freeform optical components as crucial pieces of their designs. As these freeform components increase in geometrical complexity and continue to deviate further from traditional optical designs, the optical manufacturing community must rethink their fabrication processes in order to keep pace. To meet these new demands, Optimax has developed a variety of new deterministic freeform manufacturing processes. Combining traditional optical fabrication techniques with cutting edge technological innovations has yielded a multifaceted manufacturing approach that can successfully handle even the most extreme freeform optical surfaces. In particular, Optimax has placed emphasis on refining the deterministic form correction process. By developing many of these procedures in house, changes can be implemented quickly and efficiently in order to rapidly converge on an optimal manufacturing method. Advances in metrology techniques allow for rapid identification and quantification of irregularities in freeform surfaces, while deterministic correction algorithms precisely target features on the part and drastically reduce overall correction time. Together, these improvements have yielded significant advances in the realm of freeform manufacturing. With further refinements to these and other aspects of the freeform manufacturing process, the production of increasingly radical freeform optical components is quickly becoming a reality.

  11. Deterministic generation of remote entanglement with active quantum feedback

    NASA Astrophysics Data System (ADS)

    Martin, Leigh; Motzoi, Felix; Li, Hanhan; Sarovar, Mohan; Whaley, K. Birgitta

    2015-12-01

    We consider the task of deterministically entangling two remote qubits using joint measurement and feedback, but no directly entangling Hamiltonian. In order to formulate the most effective experimentally feasible protocol, we introduce the notion of average-sense locally optimal feedback protocols, which do not require real-time quantum state estimation, a difficult component of real-time quantum feedback control. We use this notion of optimality to construct two protocols that can deterministically create maximal entanglement: a semiclassical feedback protocol for low-efficiency measurements and a quantum feedback protocol for high-efficiency measurements. The latter reduces to direct feedback in the continuous-time limit, whose dynamics can be modeled by a Wiseman-Milburn feedback master equation, which yields an analytic solution in the limit of unit measurement efficiency. Our formalism can smoothly interpolate between continuous-time and discrete-time descriptions of feedback dynamics and we exploit this feature to derive a superior hybrid protocol for arbitrary nonunit measurement efficiency that switches between quantum and semiclassical protocols. Finally, we show using simulations incorporating experimental imperfections that deterministic entanglement of remote superconducting qubits may be achieved with current technology using the continuous-time feedback protocol alone.

  12. Non-equilibrium Thermodynamics of Piecewise Deterministic Markov Processes

    NASA Astrophysics Data System (ADS)

    Faggionato, A.; Gabrielli, D.; Ribezzi Crivellari, M.

    2009-10-01

    We consider a class of stochastic dynamical systems, called piecewise deterministic Markov processes, with states ( x, σ)∈Ω×Γ, Ω being a region in ℝ d or the d-dimensional torus, Γ being a finite set. The continuous variable x follows a piecewise deterministic dynamics, the discrete variable σ evolves by a stochastic jump dynamics and the two resulting evolutions are fully-coupled. We study stationarity, reversibility and time-reversal symmetries of the process. Increasing the frequency of the σ-jumps, the system behaves asymptotically as deterministic and we investigate the structure of its fluctuations (i.e. deviations from the asymptotic behavior), recovering in a non Markovian frame results obtained by Bertini et al. (Phys. Rev. Lett. 87(4):040601, 2001; J. Stat. Phys. 107(3-4):635-675, 2002; J. Stat. Mech. P07014, 2007; Preprint available online at http://www.arxiv.org/abs/0807.4457, 2008), in the context of Markovian stochastic interacting particle systems. Finally, we discuss a Gallavotti-Cohen-type symmetry relation with involution map different from time-reversal.

  13. A deterministic version of Pollard's p-1 algorithm

    NASA Astrophysics Data System (ADS)

    Zral/Ek, Bartosz

    2010-01-01

    In this article we present applications of smooth numbers to the unconditional derandomization of some well-known integer factoring algo- rithms. We begin with Pollard's p-1 algorithm, which finds in random polynomial time the prime divisors p of an integer n such that p-1 is smooth. We show that these prime factors can be recovered in deterministic polynomial time. We further generalize this result to give a partial derandomization of the k -th cyclotomic method of factoring ( k≥2 ) devised by Bach and Shallit. We also investigate reductions of factoring to computing Euler's totient function ϕ . We point out some explicit sets of integers n that are completely factorable in deterministic polynomial time given ϕ(n) . These sets consist, roughly speaking, of products of primes p satisfying, with the exception of at most two, certain conditions somewhat weaker than the smoothness of p-1 . Finally, we prove that O(ln n) oracle queries for values of ϕ are sufficient to completely factor any integer n in less than expBigl((1+o(1))(ln n)^{1/3} (lnln n)^{2/3}Bigr) deterministic time.

  14. Extinction thresholds in deterministic and stochastic epidemic models.

    PubMed

    Allen, Linda J S; Lahodny, Glenn E

    2012-01-01

    The basic reproduction number, ℛ(0), one of the most well-known thresholds in deterministic epidemic theory, predicts a disease outbreak if ℛ(0)>1. In stochastic epidemic theory, there are also thresholds that predict a major outbreak. In the case of a single infectious group, if ℛ(0)>1 and i infectious individuals are introduced into a susceptible population, then the probability of a major outbreak is approximately 1-(1/ℛ(0))( i ). With multiple infectious groups from which the disease could emerge, this result no longer holds. Stochastic thresholds for multiple groups depend on the number of individuals within each group, i ( j ), j=1, …, n, and on the probability of disease extinction for each group, q ( j ). It follows from multitype branching processes that the probability of a major outbreak is approximately [Formula: see text]. In this investigation, we summarize some of the deterministic and stochastic threshold theory, illustrate how to calculate the stochastic thresholds, and derive some new relationships between the deterministic and stochastic thresholds.

  15. A deterministic approach to simulate and downscale hydrological records

    NASA Astrophysics Data System (ADS)

    Maskey, M.; Puente, C. E.; Sivakumar, B.

    2016-12-01

    Application of a deterministic geometric approach for the simulation and downscaling of hydrologic data, daily rainfall and daily streamflow over a year, is presented. Specifically, it is shown that adaptations of the fractal-multifractal (FM) method, relying on only eight geometric parameters, may do both tasks accurately. The capability of the FM approach in producing plausible synthetic and disaggregated sets is illustrated using rain sets gathered in Laikakota, Bolivia and Tinkham, Washington, USA, and streamflow sets measured at the Sacramento River, USA. It is shown that suitable deterministic synthetic sets, maintaining the texture of the original records, may readily be found that faithfully preserve, for rainfall, the entire records' histogram, entropy and distribution of zeroes, and, for streamflow, the entire data's autocorrelation, histogram and entropy. It is then shown that the FM method readily generates daily series of rainfall and streamflow over a year based on weekly, biweekly and monthly accumulated information, which, while closely preserving the time evolution of the daily records, reasonably captures a variety of key statistical attributes. It is argued that the parsimonious FM deterministic simulations and downscalings may enhance and/or supplement stochastic simulation and disaggregation methods.

  16. Comparison of Deterministic and Probabilistic Radial Distribution Systems Load Flow

    NASA Astrophysics Data System (ADS)

    Gupta, Atma Ram; Kumar, Ashwani

    2017-08-01

    Distribution system network today is facing the challenge of meeting increased load demands from the industrial, commercial and residential sectors. The pattern of load is highly dependent on consumer behavior and temporal factors such as season of the year, day of the week or time of the day. For deterministic radial distribution load flow studies load is taken as constant. But, load varies continually with a high degree of uncertainty. So, there is a need to model probable realistic load. Monte-Carlo Simulation is used to model the probable realistic load by generating random values of active and reactive power load from the mean and standard deviation of the load and for solving a Deterministic Radial Load Flow with these values. The probabilistic solution is reconstructed from deterministic data obtained for each simulation. The main contribution of the work is: Finding impact of probable realistic ZIP load modeling on balanced radial distribution load flow. Finding impact of probable realistic ZIP load modeling on unbalanced radial distribution load flow. Compare the voltage profile and losses with probable realistic ZIP load modeling for balanced and unbalanced radial distribution load flow.

  17. Stochastic Processes in Physics: Deterministic Origins and Control

    NASA Astrophysics Data System (ADS)

    Demers, Jeffery

    Stochastic processes are ubiquitous in the physical sciences and engineering. While often used to model imperfections and experimental uncertainties in the macroscopic world, stochastic processes can attain deeper physical significance when used to model the seemingly random and chaotic nature of the underlying microscopic world. Nowhere more prevalent is this notion than in the field of stochastic thermodynamics - a modern systematic framework used describe mesoscale systems in strongly fluctuating thermal environments which has revolutionized our understanding of, for example, molecular motors, DNA replication, far-from equilibrium systems, and the laws of macroscopic thermodynamics as they apply to the mesoscopic world. With progress, however, come further challenges and deeper questions, most notably in the thermodynamics of information processing and feedback control. Here it is becoming increasingly apparent that, due to divergences and subtleties of interpretation, the deterministic foundations of the stochastic processes themselves must be explored and understood. This thesis presents a survey of stochastic processes in physical systems, the deterministic origins of their emergence, and the subtleties associated with controlling them. First, we study time-dependent billiards in the quivering limit - a limit where a billiard system is indistinguishable from a stochastic system, and where the simplified stochastic system allows us to view issues associated with deterministic time-dependent billiards in a new light and address some long-standing problems. Then, we embark on an exploration of the deterministic microscopic Hamiltonian foundations of non-equilibrium thermodynamics, and we find that important results from mesoscopic stochastic thermodynamics have simple microscopic origins which would not be apparent without the benefit of both the micro and meso perspectives. Finally, we study the problem of stabilizing a stochastic Brownian particle with

  18. Integrated sample pretreatment system for N-linked glycosylation site profiling with combination of hydrophilic interaction chromatography and PNGase F immobilized enzymatic reactor via a strong cation exchange precolumn.

    PubMed

    Qu, Yanyan; Xia, Simin; Yuan, Huiming; Wu, Qi; Li, Man; Zou, Lijuan; Zhang, Lihua; Liang, Zhen; Zhang, Yukui

    2011-10-01

    An integrated sample pretreatment system, composed of a click maltose hydrophilic interaction chromatography (HILIC) column, a strong cation exchange (SCX) precolumn, and a PNGase F immobilized enzymatic reactor (IMER), was established for the simultaneous glycopeptide enrichment, sample buffer exchange, and online deglycosylation, by which the sample pretreatment for glycoproteome could be performed online automatically, beneficial to improve the efficiency and sensitivity of the N-linked glycosylation site identification. With such a system, the deglycosylated glycopeptide from the digests of avidin with the coexistence of 50 times (mass ratio) BSA could be selectively detected, and the detection limit as low as 5 fmol was achieved. Moreover, the sample pretreatment time was significantly shortened to ~1 h. Such a system was further successfully applied for analyzing the digest of the soluble fraction extracted from rat brain. A total of 120 unique glycoprotein groups and 196 N-linked glycosylation sites were identified by nanoreversed phase liquid chromatography-electrospray ionization-tandem mass spectrometry (nanoRPLC-ESI-MS/MS), with the injected digests amount as 6 μg. All these results demonstrate that the integrated system is of great promise for N-linked glycosylation site profiling and could be further online coupled with nanoHPLC-ESI-MS/MS to achieve high-throughput glycoproteome analysis.

  19. Comparison of probabilistic and deterministic fiber tracking of cranial nerves.

    PubMed

    Zolal, Amir; Sobottka, Stephan B; Podlesek, Dino; Linn, Jennifer; Rieger, Bernhard; Juratli, Tareq A; Schackert, Gabriele; Kitzler, Hagen H

    2017-09-01

    OBJECTIVE The depiction of cranial nerves (CNs) using diffusion tensor imaging (DTI) is of great interest in skull base tumor surgery and DTI used with deterministic tracking methods has been reported previously. However, there are still no good methods usable for the elimination of noise from the resulting depictions. The authors have hypothesized that probabilistic tracking could lead to more accurate results, because it more efficiently extracts information from the underlying data. Moreover, the authors have adapted a previously described technique for noise elimination using gradual threshold increases to probabilistic tracking. To evaluate the utility of this new approach, a comparison is provided with this work between the gradual threshold increase method in probabilistic and deterministic tracking of CNs. METHODS Both tracking methods were used to depict CNs II, III, V, and the VII+VIII bundle. Depiction of 240 CNs was attempted with each of the above methods in 30 healthy subjects, which were obtained from 2 public databases: the Kirby repository (KR) and Human Connectome Project (HCP). Elimination of erroneous fibers was attempted by gradually increasing the respective thresholds (fractional anisotropy [FA] and probabilistic index of connectivity [PICo]). The results were compared with predefined ground truth images based on corresponding anatomical scans. Two label overlap measures (false-positive error and Dice similarity coefficient) were used to evaluate the success of both methods in depicting the CN. Moreover, the differences between these parameters obtained from the KR and HCP (with higher angular resolution) databases were evaluated. Additionally, visualization of 10 CNs in 5 clinical cases was attempted with both methods and evaluated by comparing the depictions with intraoperative findings. RESULTS Maximum Dice similarity coefficients were significantly higher with probabilistic tracking (p < 0.001; Wilcoxon signed-rank test). The false

  20. Ultrafast Spectroscopy Evidence for Picosecond Ligand Exchange at the Binding Site of a Heme Protein: Heme-Based Sensor YddV.

    PubMed

    Lambry, Jean-Christophe; Stranava, Martin; Lobato, Laura; Martinkova, Marketa; Shimizu, Toru; Liebl, Ursula; Vos, Marten H

    2016-01-07

    An important question for the functioning of heme proteins is whether different ligands present within the protein moiety can readily exchange with heme-bound ligands. Studying the dynamics of the heme domain of the Escherichia coli sensor protein YddV upon dissociation of NO from the ferric heme by ultrafast spectroscopy, we demonstrate that when the hydrophobic leucine residue in the distal heme pocket is mutated to glycine, in a substantial fraction of the protein water replaces NO as an internal ligand in as fast as ∼4 ps. This process, which is near-barrierless and occurs orders of magnitude faster than the corresponding process in myoglobin, corresponds to a ligand swap of NO with a water molecule present in the heme pocket, as corroborated by molecular dynamics simulations. Our findings provide important new insight into ligand exchange in heme proteins that functionally interact with different external ligands.

  1. Mn(2+)-Ion Site Distribution of Zeolite Y (FAU, Si/Al = 1.56) Depending on the Ion-Exchange Ratio.

    PubMed

    Seo, Sung Man; Moon, Dae Jun; Suh, Jeong Min; Zhu, John; Lim, Woo Taik

    2016-05-01

    To investigate the tendency of Mn(2+)-ion exchange into zeolite Y, four single crystals of fully dehydrated Mn2+, Na(+)-exchanged zeolite Y (Si/Al = 1.56) were prepared by the exchange of Na75-Y (INa75I[Si117Al75,O384]-FAU) with aqueous of various concentrations by Mn2+ and Na+ in a total 0.05 M for molar ratios of 1:1 (crystal 1), 1:25 (crystal 2), 1:50 (crystal 3), and 1:100 (crystal 4), respectively, followed by vacuum dehydration at 400 degrees C. Their single-crystal structures were determined by synchrotron X-ray diffraction techniques in the cubic space group Fd3(-)m and were refined to the final error indices R1/wR2 = 0.0440/0.1545, 0.0369/0.1153, 0.0373/0.1091, and 0.0506/0.1667, respectively. Their unit-cell formulas are approximately LMn33.5Na8I[Si117Al75O384]-FAU, IMn20.5Na34I[Si117Al75O384]-FAU, IMn20.5Na34I[Si117Al75O384]-FAU, and IMn16.5Na42I[Si117Al75O384]-FAU, respectively. The degree of Mn2+-ion exchange increases from 44.3% to 89.1% with increasing the initial Mn2+ concentrations as Na+ content and the unit cell constant of the zeolite framework decrease.

  2. Requirements for functional models of the iron hydrogenase active site: D2/H2O exchange activity in ((mu-SMe)(mu-pdt)[Fe(CO)2(PMe3)]2+)[BF4-].

    PubMed

    Georgakaki, Irene P; Miller, Matthew L; Darensbourg, Marcetta Y

    2003-04-21

    Hydrogen uptake in hydrogenase enzymes can be assayed by H/D exchange reactivity in H(2)/D(2)O or H(2)/D(2)/H(2)O mixtures. Diiron(I) complexes that serve as structural models for the active site of iron hydrogenase are not active in such isotope scrambling but serve as precursors to Fe(II)Fe(II) complexes that are functional models of [Fe]H(2)ase. Using the same experimental protocol as used previously for ((mu-H)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-H(+) (Zhao et al. J. Am. Chem. Soc. 2001, 123, 9710), we now report the results of studies of ((mu-SMe)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-SMe(+), toward H/D exchange. The 1-SMe(+) complex can take up H(2) and catalyze the H/D exchange reaction in D(2)/H(2)O mixtures under photolytic, CO-loss conditions. Unlike 1-H(+), it does not catalyze H(2)/D(2) scrambling under anhydrous conditions. The molecular structure of 1-SMe(+) involves an elongated Fe.Fe separation, 3.11 A, relative to 2.58 A in 1-H(+). It is proposed that the strong SMe(-) bridging ligand results in catalytic activity localized on a single Fe(II) center, a scenario that is also a prominent possibility for the enzyme active site. The single requirement is an open site on Fe(II) available for binding of D(2) (or H(2)), followed by deprotonation by the external base H(2)O (or D(2)O).

  3. Casein Kinase 2 Binds to the C Terminus of Na+/H+ exchanger 3 (NHE3) and Stimulates NHE3 Basal Activity by Phosphorylating a Separate Site in NHE3

    PubMed Central

    Sarker, Rafiquel; Grønborg, Mads; Cha, Boyoung; Mohan, Sachin; Chen, Yueping; Pandey, Akhilesh; Litchfield, David

    2008-01-01

    Na+/H+ exchanger 3 (NHE3) is the epithelial-brush border isoform responsible for most intestinal and renal Na+ absorption. Its activity is both up- and down-regulated under normal physiological conditions, and it is inhibited in most diarrheal diseases. NHE3 is phosphorylated under basal conditions and Ser/Thr phosphatase inhibitors stimulate basal exchange activity; however, the kinases involved are unknown. To identify kinases that regulate NHE3 under basal conditions, NHE3 was immunoprecipitated; LC-MS/MS of trypsinized NHE3 identified a novel phosphorylation site at S719 of the C terminus, which was predicted to be a casein kinase 2 (CK2) phosphorylation site. This was confirmed by an in vitro kinase assay. The NHE3-S719A mutant but not NHE3-S719D had reduced NHE3 activity due to less plasma membrane NHE3. This was due to reduced exocytosis plus decreased plasma membrane delivery of newly synthesized NHE3. Also, NHE3 activity was inhibited by the CK2 inhibitor 2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole DMAT when wild-type NHE3 was expressed in fibroblasts and Caco-2 cells, but the NHE3-S719 mutant was fully resistant to DMAT. CK2 bound to the NHE3 C-terminal domain, between amino acids 590 and 667, a site different from the site it phosphorylates. CK2 binds to the NHE3 C terminus and stimulates basal NHE3 activity by phosphorylating a separate single site on the NHE3 C terminus (S719), which affects NHE3 trafficking. PMID:18614797

  4. Aquatic bacterial assemblage structure in Pozas Azules, Cuatro Cienegas Basin, Mexico: Deterministic vs. stochastic processes.

    PubMed

    Espinosa-Asuar, Laura; Escalante, Ana Elena; Gasca-Pineda, Jaime; Blaz, Jazmín; Peña, Lorena; Eguiarte, Luis E; Souza, Valeria

    2015-06-01

    The aim of this study was to determine the contributions of stochastic vs. deterministic processes in the distribution of microbial diversity in four ponds (Pozas Azules) within a temporally stable aquatic system in the Cuatro Cienegas Basin, State of Coahuila, Mexico. A sampling strategy for sites that were geographically delimited and had low environmental variation was applied to avoid obscuring distance effects. Aquatic bacterial diversity was characterized following a culture-independent approach (16S sequencing of clone libraries). The results showed a correlation between bacterial beta diversity (1-Sorensen) and geographic distance (distance decay of similarity), which indicated the influence of stochastic processes related to dispersion in the assembly of the ponds' bacterial communities. Our findings are the first to show the influence of dispersal limitation in the prokaryotic diversity distribution of Cuatro Cienegas Basin. Copyright© by the Spanish Society for Microbiology and Institute for Catalan Studies.

  5. Asymmetric and deterministic bidirectional remote state preparation under the supervision of a third party

    NASA Astrophysics Data System (ADS)

    Ma, Peng-Cheng; Chen, Gui-Bin; Li, Xiao-Wei; Zhan, You-Bang

    2017-09-01

    We present two schemes for asymmetric controlled bidirectional remote state preparation (CBRSP) with real and complex coefficients via seven- and ten-qubit entangled states, respectively, as the quantum channel. In these schemes, two distant parties—Alice and Bob—are not only senders but also receivers: Alice wants to remotely prepare a single-qubit state at Bob’s site; at the same time, Bob wishes to help Alice remotely prepare a two-qubit state. It is shown that the asymmetric CBRSP be can be completed successfully only if the two senders and the controller collaborate with each other. We demonstrate that, in our schemes, the total success probability of the asymmetric CBRSP can reach 1, that is, the schemes are deterministic.

  6. Sensitivities of immersion freezing: Reconciling classical nucleation theory and deterministic expressions

    NASA Astrophysics Data System (ADS)

    Ervens, Barbara; Feingold, Graham

    2013-06-01

    Ice particle number concentrations are often described deterministically, i.e., ice nucleation is singular and occurs on active sites unambiguously at a given temperature. Other approaches are based on classical nucleation theory (CNT) that describes ice nucleation stochastically as a function of time and nucleation rate. Sensitivity studies of CNT for immersion freezing performed here show that ice nucleation has by far the lowest sensitivity to time as compared to temperature, ice nucleus (IN) diameter, and contact angle. Sensitivities generally decrease with decreasing temperature. Our study helps to reconcile the apparent differences in stochastic and singular freezing behavior, and suggests that over a wide range of temperatures and IN parameters, time-independent CNT-based expressions for immersion freezing may be derived for use in large-scale models.

  7. Deterministic Aperiodic One-Dimensional Systems with All States Extended, One of Which is Periodic

    NASA Astrophysics Data System (ADS)

    Lindquist, Bruno; Riklund, Rolf

    1998-05-01

    A one-dimensional discrete tight-binding model with nearest-neighbour interaction is studied. We use the transfer model with variable hopping matrix elements, here assuming the two values t or -t, and constant on-site potential. Under this conditions all the eigenstates are known to be extended. It is shown that if the distribution of the off-diagonal matrix elements constitutes a deterministic aperiodic sequence, the eigenstate corresponding to the middle eigenvalue is periodic for some choices of the sequence, but not for all. The studied sequences that turn out to have a periodic middle state are the Thue-Morse sequence, the Rudin-Shapiro sequence and many of the generalised Thue-Morse sequences but not for instance the well known Fibonacci sequence.

  8. Spatial continuity measures for probabilistic and deterministic geostatistics

    SciTech Connect

    Isaaks, E.H.; Srivastava, R.M.

    1988-05-01

    Geostatistics has traditionally used a probabilistic framework, one in which expected values or ensemble averages are of primary importance. The less familiar deterministic framework views geostatistical problems in terms of spatial integrals. This paper outlines the two frameworks and examines the issue of which spatial continuity measure, the covariance C(h) or the variogram ..sigma..(h), is appropriate for each framework. Although C(h) and ..sigma..(h) were defined originally in terms of spatial integrals, the convenience of probabilistic notation made the expected value definitions more common. These now classical expected value definitions entail a linear relationship between C(h) and ..sigma..(h); the spatial integral definitions do not. In a probabilistic framework, where available sample information is extrapolated to domains other than the one which was sampled, the expected value definitions are appropriate; furthermore, within a probabilistic framework, reasons exist for preferring the variogram to the covariance function. In a deterministic framework, where available sample information is interpolated within the same domain, the spatial integral definitions are appropriate and no reasons are known for preferring the variogram. A case study on a Wiener-Levy process demonstrates differences between the two frameworks and shows that, for most estimation problems, the deterministic viewpoint is more appropriate. Several case studies on real data sets reveal that the sample covariance function reflects the character of spatial continuity better than the sample variogram. From both theoretical and practical considerations, clearly for most geostatistical problems, direct estimation of the covariance is better than the traditional variogram approach.

  9. Statistical methods of parameter estimation for deterministically chaotic time series.

    PubMed

    Pisarenko, V F; Sornette, D

    2004-03-01

    We discuss the possibility of applying some standard statistical methods (the least-square method, the maximum likelihood method, and the method of statistical moments for estimation of parameters) to deterministically chaotic low-dimensional dynamic system (the logistic map) containing an observational noise. A "segmentation fitting" maximum likelihood (ML) method is suggested to estimate the structural parameter of the logistic map along with the initial value x(1) considered as an additional unknown parameter. The segmentation fitting method, called "piece-wise" ML, is similar in spirit but simpler and has smaller bias than the "multiple shooting" previously proposed. Comparisons with different previously proposed techniques on simulated numerical examples give favorable results (at least, for the investigated combinations of sample size N and noise level). Besides, unlike some suggested techniques, our method does not require the a priori knowledge of the noise variance. We also clarify the nature of the inherent difficulties in the statistical analysis of deterministically chaotic time series and the status of previously proposed Bayesian approaches. We note the trade off between the need of using a large number of data points in the ML analysis to decrease the bias (to guarantee consistency of the estimation) and the unstable nature of dynamical trajectories with exponentially fast loss of memory of the initial condition. The method of statistical moments for the estimation of the parameter of the logistic map is discussed. This method seems to be the unique method whose consistency for deterministically chaotic time series is proved so far theoretically (not only numerically).

  10. Matching solute breakthrough with deterministic and stochastic aquifer models.

    PubMed

    Lemke, Lawrence D; Barrack, William A; Abriola, Linda M; Goovaerts, Pierre

    2004-01-01

    Two different deterministic and two alternative stochastic (i.e., geostatistical) approaches to modeling the distribution of hydraulic conductivity (K) in a nonuniform (sigma2ln(K)) = 0.29) glacial sand aquifer were used to explore the influence of conceptual model selection on simulations of three-dimensional tracer movement. The deterministic K models employed included a homogeneous effective K and a perfectly stratified 14 layer model. Stochastic K models were constructed using sequential Gaussian simulation and sequential i ndicator simulation conditioned to available K values estimated from measured grain size distributions. Standard simulation software packages MODFLOW, MT3DMS, and MODPATH were used to model three-dimensional ground water flow and transport in a field tracer test, where a pulse of bromide was injected through an array of three fully screened wells and extracted through a single fully screened well approximately 8 m away. Agreement between observed and simulated transport behavior was assessed through direct comparison of breakthrough curves (BTCs) and selected breakthrough metrics at the extraction well and at 26 individual multilevel sample ports distributed irregularly between the injection and extraction wells. Results indicate that conceptual models incorporating formation variability are better able to capture observed breakthrough behavior. Root mean square (RMS) error of the deterministic models bracketed the ensemble mean RMS error of stochastic models for simulated concentration vs. time series, but not for individual BTC characteristic metrics. The spatial variability models evaluated here may be better suited to simulating breakthrough behavior measured in wells screened over large intervals than at arbitrarily distributed observation points within a nonuniform aquifer domain.

  11. Optical image encryption technique based on deterministic phase masks

    NASA Astrophysics Data System (ADS)

    Zamrani, Wiam; Ahouzi, Esmail; Lizana, Angel; Campos, Juan; Yzuel, María J.

    2016-10-01

    The double-random phase encoding (DRPE) scheme, which is based on a 4f optical correlator system, is considered as a reference for the optical encryption field. We propose a modification of the classical DRPE scheme based on the use of a class of structured phase masks, the deterministic phase masks. In particular, we propose to conduct the encryption process by using two deterministic phase masks, which are built from linear combinations of several subkeys. For the decryption step, the input image is retrieved by using the complex conjugate of the deterministic phase masks, which were set in the encryption process. This concept of structured masks gives rise to encryption-decryption keys which are smaller and more compact than those required in the classical DRPE. In addition, we show that our method significantly improves the tolerance of the DRPE method to shifts of the decrypting phase mask-when no shift is applied, it provides similar performance to the DRPE scheme in terms of encryption-decryption results. This enhanced tolerance to the shift, which is proven by providing numerical simulation results for grayscale and binary images, may relax the rigidity of an encryption-decryption experimental implementation setup. To evaluate the effectiveness of the described method, the mean-square-error and the peak signal-to-noise ratio between the input images and the recovered images are calculated. Different studies based on simulated data are also provided to highlight the suitability and robustness of the method when applied to the image encryption-decryption processes.

  12. Deterministic side-branching during thermal dendritic growth

    NASA Astrophysics Data System (ADS)

    Mullis, Andrew M.

    2015-06-01

    The accepted view on dendritic side-branching is that side-branches grow as the result of selective amplification of thermal noise and that in the absence of such noise dendrites would grow without the development of side-arms. However, recently there has been renewed speculation about dendrites displaying deterministic side-branching [see e.g. ME Glicksman, Metall. Mater. Trans A 43 (2012) 391]. Generally, numerical models of dendritic growth, such as phase-field simulation, have tended to display behaviour which is commensurate with the former view, in that simulated dendrites do not develop side-branches unless noise is introduced into the simulation. However, here we present simulations at high undercooling that show that under certain conditions deterministic side-branching may occur. We use a model formulated in the thin interface limit and a range of advanced numerical techniques to minimise the numerical noise introduced into the solution, including a multigrid solver. Not only are multigrid solvers one of the most efficient means of inverting the large, but sparse, system of equations that results from implicit time-stepping, they are also very effective at smoothing noise at all wavelengths. This is in contrast to most Jacobi or Gauss-Seidel iterative schemes which are effective at removing noise with wavelengths comparable to the mesh size but tend to leave noise at longer wavelengths largely undamped. From an analysis of the tangential thermal gradients on the solid-liquid interface the mechanism for side-branching appears to be consistent with the deterministic model proposed by Glicksman.

  13. Deterministic Remote State Preparation via the χ State

    NASA Astrophysics Data System (ADS)

    Zhang, Pei; Li, Xian; Ma, Song-Ya; Qu, Zhi-Guo

    2017-05-01

    Two deterministic schemes using the χ state as the entangled channel are put forward to realize the remote preparation of arbitrary two- and three-qubit states. To design the schemes, we construct sets of ingenious measurement bases, which have no restrictions on the coefficients of the prepared state. At variance with the existing schemes via the χ state, the success probabilities of the proposed schemes are greatly improved. Supported by the National Natural Science Foundation of China under Grant Nos. 61201253, 61373131, 61572246, Priority Academic Program Development of Jiangsu Higher Education Institutions, and Collaborative Innovation Center of Atmospheric Environment and Equipment Technology

  14. CALTRANS: A parallel, deterministic, 3D neutronics code

    SciTech Connect

    Carson, L.; Ferguson, J.; Rogers, J.

    1994-04-01

    Our efforts to parallelize the deterministic solution of the neutron transport equation has culminated in a new neutronics code CALTRANS, which has full 3D capability. In this article, we describe the layout and algorithms of CALTRANS and present performance measurements of the code on a variety of platforms. Explicit implementation of the parallel algorithms of CALTRANS using both the function calls of the Parallel Virtual Machine software package (PVM 3.2) and the Meiko CS-2 tagged message passing library (based on the Intel NX/2 interface) are provided in appendices.

  15. Deterministic Smoluchowski-Feynman ratchets driven by chaotic noise.

    PubMed

    Chew, Lock Yue

    2012-01-01

    We have elucidated the effect of statistical asymmetry on the directed current in Smoluchowski-Feynman ratchets driven by chaotic noise. Based on the inhomogeneous Smoluchowski equation and its generalized version, we arrive at analytical expressions of the directed current that includes a source term. The source term indicates that statistical asymmetry can drive the system further away from thermodynamic equilibrium, as exemplified by the constant flashing, the state-dependent, and the tilted deterministic Smoluchowski-Feynman ratchets, with the consequence of an enhancement in the directed current.

  16. Deterministic regularization of three-dimensional optical diffraction tomography

    PubMed Central

    Sung, Yongjin; Dasari, Ramachandra R.

    2012-01-01

    In this paper we discuss a deterministic regularization algorithm to handle the missing cone problem of three-dimensional optical diffraction tomography (ODT). The missing cone problem arises in most practical applications of ODT and is responsible for elongation of the reconstructed shape and underestimation of the value of the refractive index. By applying positivity and piecewise-smoothness constraints in an iterative reconstruction framework, we effectively suppress the missing cone artifact and recover sharp edges rounded out by the missing cone, and we significantly improve the accuracy of the predictions of the refractive index. We also show the noise handling capability of our algorithm in the reconstruction process. PMID:21811316

  17. Non-deterministic analysis of ocean environment loads

    SciTech Connect

    Fang Huacan; Xu Fayan; Gao Guohua; Xu Xingping

    1995-12-31

    Ocean environment loads consist of the wind force, sea wave force etc. Sea wave force not only has randomness, but also has fuzziness. Hence the non-deterministic description of wave environment must be carried out, in designing of an offshore structure or evaluation of the safety of offshore structure members in service. In order to consider the randomness of sea wave, the wind speed single parameter sea wave spectrum is proposed in the paper. And a new fuzzy grading statistic method for considering fuzziness of sea wave height H and period T is given in this paper. The principle and process of calculating fuzzy random sea wave spectrum will be published lastly.

  18. Deterministic versus stochastic aspects of superexponential population growth models

    NASA Astrophysics Data System (ADS)

    Grosjean, Nicolas; Huillet, Thierry

    2016-08-01

    Deterministic population growth models with power-law rates can exhibit a large variety of growth behaviors, ranging from algebraic, exponential to hyperexponential (finite time explosion). In this setup, selfsimilarity considerations play a key role, together with two time substitutions. Two stochastic versions of such models are investigated, showing a much richer variety of behaviors. One is the Lamperti construction of selfsimilar positive stochastic processes based on the exponentiation of spectrally positive processes, followed by an appropriate time change. The other one is based on stable continuous-state branching processes, given by another Lamperti time substitution applied to stable spectrally positive processes.

  19. Nearly deterministic linear optical controlled-NOT gate.

    PubMed

    Nemoto, Kae; Munro, W J

    2004-12-17

    We show how to construct a near deterministic CNOT gate using several single photons sources, linear optics, photon number resolving quantum nondemolition detectors, and feed forward. This gate does not require the use of massively entangled states common to other implementations and is very efficient on resources with only one ancilla photon required. The key element of this gate is nondemolition detectors that use a weak cross-Kerr nonlinearity effect to conditionally generate a phase shift on a coherent probe if a photon is present in the signal mode. These potential phase shifts can then be measured using highly efficient homodyne detection.

  20. The deterministic optical alignment of the HERMES spectrograph

    NASA Astrophysics Data System (ADS)

    Gers, Luke; Staszak, Nicholas

    2014-07-01

    The High Efficiency and Resolution Multi Element Spectrograph (HERMES) is a four channel, VPH-grating spectrograph fed by two 400 fiber slit assemblies whose construction and commissioning has now been completed at the Anglo Australian Telescope (AAT). The size, weight, complexity, and scheduling constraints of the system necessitated that a fully integrated, deterministic, opto-mechanical alignment system be designed into the spectrograph before it was manufactured. This paper presents the principles about which the system was assembled and aligned, including the equipment and the metrology methods employed to complete the spectrograph integration.

  1. Role of infinite invariant measure in deterministic subdiffusion

    NASA Astrophysics Data System (ADS)

    Akimoto, Takuma; Miyaguchi, Tomoshige

    2010-09-01

    Statistical properties of the transport coefficient for deterministic subdiffusion are investigated from the viewpoint of infinite ergodic theory. We find that the averaged diffusion coefficient is characterized by the infinite invariant measure of the reduced map. We also show that when the time difference is much smaller than the total observation time, the time-averaged mean square displacement depends linearly on the time difference. Furthermore, the diffusion coefficient becomes a random variable and its limit distribution is characterized by the universal law called the Mittag-Leffler distribution.

  2. Demonstration of deterministic and high fidelity squeezing of quantum information

    SciTech Connect

    Yoshikawa, Jun-ichi; Takei, Nobuyuki; Furusawa, Akira; Hayashi, Toshiki; Akiyama, Takayuki; Huck, Alexander; Andersen, Ulrik L.

    2007-12-15

    By employing a recent proposal [R. Filip, P. Marek, and U.L. Andersen, Phys. Rev. A 71, 042308 (2005)] we experimentally demonstrate a universal, deterministic, and high-fidelity squeezing transformation of an optical field. It relies only on linear optics, homodyne detection, feedforward, and an ancillary squeezed vacuum state, thus direct interaction between a strong pump and the quantum state is circumvented. We demonstrate three different squeezing levels for a coherent state input. This scheme is highly suitable for the fault-tolerant squeezing transformation in a continuous variable quantum computer.

  3. Deterministic Ants in Labyrinth — Information Gained by Map Sharing

    NASA Astrophysics Data System (ADS)

    Malinowski, Janusz; Kantelhardt, Jan W.; Kułakowski, Krzysztof

    2013-06-01

    A few ant robots are placed in a labyrinth, formed by a square lattice with a small number of corridors removed. Ants move according to a deterministic algorithm designed to explore all corridors. Each ant remembers the shape of corridors which it has visited. Once two ants meet, they share the information acquired. We evaluate how the time of getting a complete information by an ant depends on the number of ants, and how the length known by an ant depends on time. Numerical results are presented in the form of scaling relations.

  4. Deterministic shape control in plasma-aided nanotip assembly

    NASA Astrophysics Data System (ADS)

    Tam, E.; Levchenko, I.; Ostrikov, K.

    2006-08-01

    The possibility of deterministic plasma-assisted reshaping of capped cylindrical seed nanotips by manipulating the plasma parameter-dependent sheath width is shown. Multiscale hybrid gas phase/solid surface numerical experiments reveal that under the wide-sheath conditions the nanotips widen at the base and when the sheath is narrow, they sharpen up. By combining the wide- and narrow-sheath stages in a single process, it turns out possible to synthesize wide-base nanotips with long- and narrow-apex spikes, ideal for electron microemitter applications. This plasma-based approach is generic and can be applied to a larger number of multipurpose nanoassemblies.

  5. Deterministic Models of Channel Headwall Erosion: Initiation and Propagation

    DTIC Science & Technology

    1991-06-14

    Port Ocean Div., Amer. Soc. Civil Engr. 106(WW3):369-389. Beltaos , S . 1976 Oblique impingement of plane turbulent jets. J. Hydr. Div. Amer. Soc. Civil...Engrs. 102(HY9): 1177-1192. Beltaos , S . and Rajaratnam. 1973. Plane turbulent impinging jets. J. Hydr. Res. 11:29-59. Bradford, J. M. and R. F. Priest...June 14, 1991 FINAL 7!5T Oy7- /%faq 4. TITLE AND SUBTITLE S . FUNDING NUMB ERS Deterministic Models of Channel Headwall Erosion: Initiation and

  6. A Deterministic Transport Code for Space Environment Electrons

    NASA Technical Reports Server (NTRS)

    Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamczyk, Anne M.

    2010-01-01

    A deterministic computational procedure has been developed to describe transport of space environment electrons in various shield media. This code is an upgrade and extension of an earlier electron code. Whereas the former code was formulated on the basis of parametric functions derived from limited laboratory data, the present code utilizes well established theoretical representations to describe the relevant interactions and transport processes. The shield material specification has been made more general, as have the pertinent cross sections. A combined mean free path and average trajectory approach has been used in the transport formalism. Comparisons with Monte Carlo calculations are presented.

  7. Lasing in an optimized deterministic aperiodic nanobeam cavity

    NASA Astrophysics Data System (ADS)

    Moon, Seul-Ki; Jeong, Kwang-Yong; Noh, Heeso; Yang, Jin-Kyu

    2016-12-01

    We have demonstrated lasing action from partially extended modes in deterministic aperiodic nanobeam cavities inflated by Rudin-Shapiro sequence with two different air holes at room temperature. By varying the size ratio of the holes and hence the structural aperiodicity, different optical lasing modes were obtained with maximized quality factors. The lasing characteristics of the partially extended modes were confirmed by numerical simulations based on scanning microscope images of the fabricated samples. We believe that this partially extended nanobeam modes will be useful for label-free optical biosensors.

  8. Macroreticular chelating ion-exchangers.

    PubMed

    Hirsch, R F; E Gancher, R; Russo, F R

    1970-06-01

    Two macroreticular chelating ion-exchangers have been prepared and characterized. One contains the iminodiacetate group and the second contains the arsonate group as the ion-exchanging site. The macroreticular resins show selectivities among metal ions similar to those of the commercially available naicroreticular chelating resins. Chromatographie separations on the new resins are rapid and sharp.

  9. Using a Regional Cluster of AmeriFlux Sites in Central California to Advance Our Knowledge on Decadal-Scale Ecosystem-Atmosphere Carbon Dioxide Exchange

    SciTech Connect

    Baldocchi, Dennis

    2015-03-24

    Continuous eddy convariance measurements of carbon dioxide, water vapor and heat were measured continuously between an oak savanna and an annual grassland in California over a 4 year period. These systems serve as representative sites for biomes in Mediterranean climates and experience much seasonal and inter-annual variability in temperature and precipitation. These sites hence serve as natural laboratories for how whole ecosystem will respond to warmer and drier conditions. The savanna proved to be a moderate sink of carbon, taking up about 150 gC m-2y-1 compared to the annual grassland, which tended to be carbon neutral and often a source during drier years. But this carbon sink by the savanna came at a cost. This ecosystem used about 100 mm more water per year than the grassland. And because the savanna was darker and rougher its air temperature was about 0.5 C warmer. In addition to our flux measurements, we collected vast amounts of ancillary data to interpret the site and fluxes, making this site a key site for model validation and parameterization. Datasets consist of terrestrial and airborne lidar for determining canopy structure, ground penetrating radar data on root distribution, phenology cameras monitoring leaf area index and its seasonality, predawn water potential, soil moisture, stem diameter and physiological capacity of photosynthesis.

  10. An advanced deterministic method for spent fuel criticality safety analysis

    SciTech Connect

    DeHart, M.D.

    1998-01-01

    Over the past two decades, criticality safety analysts have come to rely to a large extent on Monte Carlo methods for criticality calculations. Monte Carlo has become popular because of its capability to model complex, non-orthogonal configurations or fissile materials, typical of real world problems. Over the last few years, however, interest in determinist transport methods has been revived, due shortcomings in the stochastic nature of Monte Carlo approaches for certain types of analyses. Specifically, deterministic methods are superior to stochastic methods for calculations requiring accurate neutron density distributions or differential fluxes. Although Monte Carlo methods are well suited for eigenvalue calculations, they lack the localized detail necessary to assess uncertainties and sensitivities important in determining a range of applicability. Monte Carlo methods are also inefficient as a transport solution for multiple pin depletion methods. Discrete ordinates methods have long been recognized as one of the most rigorous and accurate approximations used to solve the transport equation. However, until recently, geometric constraints in finite differencing schemes have made discrete ordinates methods impractical for non-orthogonal configurations such as reactor fuel assemblies. The development of an extended step characteristic (ESC) technique removes the grid structure limitations of traditional discrete ordinates methods. The NEWT computer code, a discrete ordinates code built upon the ESC formalism, is being developed as part of the SCALE code system. This paper will demonstrate the power, versatility, and applicability of NEWT as a state-of-the-art solution for current computational needs.

  11. On the deterministic and stochastic use of hydrologic models

    NASA Astrophysics Data System (ADS)

    Farmer, William H.; Vogel, Richard M.

    2016-07-01

    Environmental simulation models, such as precipitation-runoff watershed models, are increasingly used in a deterministic manner for environmental and water resources design, planning, and management. In operational hydrology, simulated responses are now routinely used to plan, design, and manage a very wide class of water resource systems. However, all such models are calibrated to existing data sets and retain some residual error. This residual, typically unknown in practice, is often ignored, implicitly trusting simulated responses as if they are deterministic quantities. In general, ignoring the residuals will result in simulated responses with distributional properties that do not mimic those of the observed responses. This discrepancy has major implications for the operational use of environmental simulation models as is shown here. Both a simple linear model and a distributed-parameter precipitation-runoff model are used to document the expected bias in the distributional properties of simulated responses when the residuals are ignored. The systematic reintroduction of residuals into simulated responses in a manner that produces stochastic output is shown to improve the distributional properties of the simulated responses. Every effort should be made to understand the distributional behavior of simulation residuals and to use environmental simulation models in a stochastic manner.

  12. Deterministic direct reprogramming of somatic cells to pluripotency.

    PubMed

    Rais, Yoach; Zviran, Asaf; Geula, Shay; Gafni, Ohad; Chomsky, Elad; Viukov, Sergey; Mansour, Abed AlFatah; Caspi, Inbal; Krupalnik, Vladislav; Zerbib, Mirie; Maza, Itay; Mor, Nofar; Baran, Dror; Weinberger, Leehee; Jaitin, Diego A; Lara-Astiaso, David; Blecher-Gonen, Ronnie; Shipony, Zohar; Mukamel, Zohar; Hagai, Tzachi; Gilad, Shlomit; Amann-Zalcenstein, Daniela; Tanay, Amos; Amit, Ido; Novershtern, Noa; Hanna, Jacob H

    2013-10-03

    Somatic cells can be inefficiently and stochastically reprogrammed into induced pluripotent stem (iPS) cells by exogenous expression of Oct4 (also called Pou5f1), Sox2, Klf4 and Myc (hereafter referred to as OSKM). The nature of the predominant rate-limiting barrier(s) preventing the majority of cells to successfully and synchronously reprogram remains to be defined. Here we show that depleting Mbd3, a core member of the Mbd3/NuRD (nucleosome remodelling and deacetylation) repressor complex, together with OSKM transduction and reprogramming in naive pluripotency promoting conditions, result in deterministic and synchronized iPS cell reprogramming (near 100% efficiency within seven days from mouse and human cells). Our findings uncover a dichotomous molecular function for the reprogramming factors, serving to reactivate endogenous pluripotency networks while simultaneously directly recruiting the Mbd3/NuRD repressor complex that potently restrains the reactivation of OSKM downstream target genes. Subsequently, the latter interactions, which are largely depleted during early pre-implantation development in vivo, lead to a stochastic and protracted reprogramming trajectory towards pluripotency in vitro. The deterministic reprogramming approach devised here offers a novel platform for the dissection of molecular dynamics leading to establishing pluripotency at unprecedented flexibility and resolution.

  13. Forced Translocation of Polymer through Nanopore: Deterministic Model and Simulations

    NASA Astrophysics Data System (ADS)

    Wang, Yanqian; Panyukov, Sergey; Liao, Qi; Rubinstein, Michael

    2012-02-01

    We propose a new theoretical model of forced translocation of a polymer chain through a nanopore. We assume that DNA translocation at high fields proceeds too fast for the chain to relax, and thus the chain unravels loop by loop in an almost deterministic way. So the distribution of translocation times of a given monomer is controlled by the initial conformation of the chain (the distribution of its loops). Our model predicts the translocation time of each monomer as an explicit function of initial polymer conformation. We refer to this concept as ``fingerprinting''. The width of the translocation time distribution is determined by the loop distribution in initial conformation as well as by the thermal fluctuations of the polymer chain during the translocation process. We show that the conformational broadening δt of translocation times of m-th monomer δtm^1.5 is stronger than the thermal broadening δtm^1.25 The predictions of our deterministic model were verified by extensive molecular dynamics simulations

  14. On the deterministic and stochastic use of hydrologic models

    USGS Publications Warehouse

    Farmer, William H.; Vogel, Richard M.

    2016-01-01

    Environmental simulation models, such as precipitation-runoff watershed models, are increasingly used in a deterministic manner for environmental and water resources design, planning, and management. In operational hydrology, simulated responses are now routinely used to plan, design, and manage a very wide class of water resource systems. However, all such models are calibrated to existing data sets and retain some residual error. This residual, typically unknown in practice, is often ignored, implicitly trusting simulated responses as if they are deterministic quantities. In general, ignoring the residuals will result in simulated responses with distributional properties that do not mimic those of the observed responses. This discrepancy has major implications for the operational use of environmental simulation models as is shown here. Both a simple linear model and a distributed-parameter precipitation-runoff model are used to document the expected bias in the distributional properties of simulated responses when the residuals are ignored. The systematic reintroduction of residuals into simulated responses in a manner that produces stochastic output is shown to improve the distributional properties of the simulated responses. Every effort should be made to understand the distributional behavior of simulation residuals and to use environmental simulation models in a stochastic manner.

  15. Deterministic composite nanophotonic lattices in large area for broadband applications

    PubMed Central

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-01-01

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates. PMID:27941869

  16. Predictability of normal heart rhythms and deterministic chaos

    NASA Astrophysics Data System (ADS)

    Lefebvre, J. H.; Goodings, D. A.; Kamath, M. V.; Fallen, E. L.

    1993-04-01

    The evidence for deterministic chaos in normal heart rhythms is examined. Electrocardiograms were recorded of 29 subjects falling into four groups—a young healthy group, an older healthy group, and two groups of patients who had recently suffered an acute myocardial infarction. From the measured R-R intervals, a time series of 1000 first differences was constructed for each subject. The correlation integral of Grassberger and Procaccia was calculated for several subjects using these relatively short time series. No evidence was found for the existence of an attractor having a dimension less than about 4. However, a prediction method recently proposed by Sugihara and May and an autoregressive linear predictor both show that there is a measure of short-term predictability in the differenced R-R intervals. Further analysis revealed that the short-term predictability calculated by the Sugihara-May method is not consistent with the null hypothesis of a Gaussian random process. The evidence for a small amount of nonlinear dynamical behavior together with the short-term predictability suggest that there is an element of deterministic chaos in normal heart rhythms, although it is not strong or persistent. Finally, two useful parameters of the predictability curves are identified, namely, the `first step predictability' and the `predictability decay rate,' neither of which appears to be significantly correlated with the standard deviation of the R-R intervals.

  17. Deterministic composite nanophotonic lattices in large area for broadband applications.

    PubMed

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-12-12

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm(2)) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

  18. Made-to-order nanocarbons through deterministic plasma nanotechnology

    NASA Astrophysics Data System (ADS)

    Ren, Yuping; Xu, Shuyan; Rider, Amanda Evelyn; Ostrikov, Kostya (Ken)

    2011-02-01

    Through a combinatorial approach involving experimental measurement and plasma modelling, it is shown that a high degree of control over diamond-like nanocarbon film sp3/sp2 ratio (and hence film properties) may be exercised, starting at the level of electrons (through modification of the plasma electron energy distribution function). Hydrogenated amorphous carbon nanoparticle films with high percentages of diamond-like bonds are grown using a middle-frequency (2 MHz) inductively coupled Ar + CH4 plasma. The sp3 fractions measured by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy in the thin films are explained qualitatively using sp3/sp2 ratios 1) derived from calculated sp3 and sp2 hybridized precursor species densities in a global plasma discharge model and 2) measured experimentally. It is shown that at high discharge power and lower CH4 concentrations, the sp3/sp2 fraction is higher. Our results suggest that a combination of predictive modeling and experimental studies is instrumental to achieve deterministically grown made-to-order diamond-like nanocarbons suitable for a variety of applications spanning from nano-magnetic resonance imaging to spin-flip quantum information devices. This deterministic approach can be extended to graphene, carbon nanotips, nanodiamond and other nanocarbon materials for a variety of applications

  19. Deterministic photon-emitter coupling in chiral photonic circuits

    NASA Astrophysics Data System (ADS)

    Söllner, Immo; Mahmoodian, Sahand; Hansen, Sofie Lindskov; Midolo, Leonardo; Javadi, Alisa; Kiršanskė, Gabija; Pregnolato, Tommaso; El-Ella, Haitham; Lee, Eun Hye; Song, Jin Dong; Stobbe, Søren; Lodahl, Peter

    2015-09-01

    Engineering photon emission and scattering is central to modern photonics applications ranging from light harvesting to quantum-information processing. To this end, nanophotonic waveguides are well suited as they confine photons to a one-dimensional geometry and thereby increase the light-matter interaction. In a regular waveguide, a quantum emitter interacts equally with photons in either of the two propagation directions. This symmetry is violated in nanophotonic structures in which non-transversal local electric-field components imply that photon emission and scattering may become directional. Here we show that the helicity of the optical transition of a quantum emitter determines the direction of single-photon emission in a specially engineered photonic-crystal waveguide. We observe single-photon emission into the waveguide with a directionality that exceeds 90% under conditions in which practically all the emitted photons are coupled to the waveguide. The chiral light-matter interaction enables deterministic and highly directional photon emission for experimentally achievable on-chip non-reciprocal photonic elements. These may serve as key building blocks for single-photon optical diodes, transistors and deterministic quantum gates. Furthermore, chiral photonic circuits allow the dissipative preparation of entangled states of multiple emitters for experimentally achievable parameters, may lead to novel topological photon states and could be applied for directional steering of light.

  20. Deterministic Stress Modeling of Hot Gas Segregation in a Turbine

    NASA Technical Reports Server (NTRS)

    Busby, Judy; Sondak, Doug; Staubach, Brent; Davis, Roger

    1998-01-01

    Simulation of unsteady viscous turbomachinery flowfields is presently impractical as a design tool due to the long run times required. Designers rely predominantly on steady-state simulations, but these simulations do not account for some of the important unsteady flow physics. Unsteady flow effects can be modeled as source terms in the steady flow equations. These source terms, referred to as Lumped Deterministic Stresses (LDS), can be used to drive steady flow solution procedures to reproduce the time-average of an unsteady flow solution. The goal of this work is to investigate the feasibility of using inviscid lumped deterministic stresses to model unsteady combustion hot streak migration effects on the turbine blade tip and outer air seal heat loads using a steady computational approach. The LDS model is obtained from an unsteady inviscid calculation. The LDS model is then used with a steady viscous computation to simulate the time-averaged viscous solution. Both two-dimensional and three-dimensional applications are examined. The inviscid LDS model produces good results for the two-dimensional case and requires less than 10% of the CPU time of the unsteady viscous run. For the three-dimensional case, the LDS model does a good job of reproducing the time-averaged viscous temperature migration and separation as well as heat load on the outer air seal at a CPU cost that is 25% of that of an unsteady viscous computation.

  1. Deterministic doping and the exploration of spin qubits

    SciTech Connect

    Schenkel, T.; Weis, C. D.; Persaud, A.; Lo, C. C.; Chakarov, I.; Schneider, D. H.; Bokor, J.

    2015-01-09

    Deterministic doping by single ion implantation, the precise placement of individual dopant atoms into devices, is a path for the realization of quantum computer test structures where quantum bits (qubits) are based on electron and nuclear spins of donors or color centers. We present a donor - quantum dot type qubit architecture and discuss the use of medium and highly charged ions extracted from an Electron Beam Ion Trap/Source (EBIT/S) for deterministic doping. EBIT/S are attractive for the formation of qubit test structures due to the relatively low emittance of ion beams from an EBIT/S and due to the potential energy associated with the ions' charge state, which can aid single ion impact detection. Following ion implantation, dopant specific diffusion mechanisms during device processing affect the placement accuracy and coherence properties of donor spin qubits. For bismuth, range straggling is minimal but its relatively low solubility in silicon limits thermal budgets for the formation of qubit test structures.

  2. Using MCBEND for neutron or gamma-ray deterministic calculations

    NASA Astrophysics Data System (ADS)

    Geoff, Dobson; Adam, Bird; Brendan, Tollit; Paul, Smith

    2017-09-01

    MCBEND 11 is the latest version of the general radiation transport Monte Carlo code from AMEC Foster Wheeler's ANSWERS® Software Service. MCBEND is well established in the UK shielding community for radiation shielding and dosimetry assessments. MCBEND supports a number of acceleration techniques, for example the use of an importance map in conjunction with Splitting/Russian Roulette. MCBEND has a well established automated tool to generate this importance map, commonly referred to as the MAGIC module using a diffusion adjoint solution. This method is fully integrated with the MCBEND geometry and material specification, and can easily be run as part of a normal MCBEND calculation. An often overlooked feature of MCBEND is the ability to use this method for forward scoping calculations, which can be run as a very quick deterministic method. Additionally, the development of the Visual Workshop environment for results display provides new capabilities for the use of the forward calculation as a productivity tool. In this paper, we illustrate the use of the combination of the old and new in order to provide an enhanced analysis capability. We also explore the use of more advanced deterministic methods for scoping calculations used in conjunction with MCBEND, with a view to providing a suite of methods to accompany the main Monte Carlo solver.

  3. Deterministic composite nanophotonic lattices in large area for broadband applications

    NASA Astrophysics Data System (ADS)

    Xavier, Jolly; Probst, Jürgen; Becker, Christiane

    2016-12-01

    Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

  4. Made-to-order nanocarbons through deterministic plasma nanotechnology.

    PubMed

    Ren, Yuping; Xu, Shuyan; Rider, Amanda Evelyn; Ostrikov, Kostya Ken

    2011-02-01

    Through a combinatorial approach involving experimental measurement and plasma modelling, it is shown that a high degree of control over diamond-like nanocarbon film sp3/sp2 ratio (and hence film properties) may be exercised, starting at the level of electrons (through modification of the plasma electron energy distribution function). Hydrogenated amorphous carbon nanoparticle films with high percentages of diamond-like bonds are grown using a middle-frequency (2 MHz) inductively coupled Ar+CH4 plasma. The sp3 fractions measured by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy in the thin films are explained qualitatively using sp3/sp2 ratios 1) derived from calculated sp3 and sp2 hybridized precursor species densities in a global plasma discharge model and 2) measured experimentally. It is shown that at high discharge power and lower CH4 concentrations, the sp3/sp2 fraction is higher. Our results suggest that a combination of predictive modeling and experimental studies is instrumental to achieve deterministically grown made-to-order diamond-like nanocarbons suitable for a variety of applications spanning from nano-magnetic resonance imaging to spin-flip quantum information devices. This deterministic approach can be extended to graphene, carbon nanotips, nanodiamond and other nanocarbon materials for a variety of applications.

  5. A deterministic approach to modeling a scintillator cell for NICADD

    NASA Astrophysics Data System (ADS)

    Barendregt, Alan Carl

    CERN uses many detectors in the particle accelerator to find the building blocks of the universe. One type of detector used is a scintillator cell. These detectors are being optimized by NICADD to have a uniform detection range at the lowest cost. To assist in this endeavor, computer modeling gives the designer the ability to test many designs in a virtual environment prior to making a physical prototype design. Current virtual models for this field have been stochastic, which means the designer will have to repeatedly run the same simulation many times to get rid of the statistical "noise" in the results. In the field of nuclear science engineering, deterministic softwares have proven themselves to be a valid prediction tool for such problems as neutron embrittlement. These models account for the probabilities up front and will provide a single result that can help confirm improvements in design in a single step. This has advantages especially when it comes to comparing two different models. This thesis discusses the method of using TransMED, a deterministic software, to assist NICADD in optimizing scintillator cell design. This thesis provides a road-map on how NICADD can use TransMED in there design work for this project and other anisotripic scattering problems as well.

  6. Stochastic and deterministic causes of streamer branching in liquid dielectrics

    SciTech Connect

    Jadidian, Jouya; Zahn, Markus; Lavesson, Nils; Widlund, Ola; Borg, Karl

    2013-08-14

    Streamer branching in liquid dielectrics is driven by stochastic and deterministic factors. The presence of stochastic causes of streamer branching such as inhomogeneities inherited from noisy initial states, impurities, or charge carrier density fluctuations is inevitable in any dielectric. A fully three-dimensional streamer model presented in this paper indicates that deterministic origins of branching are intrinsic attributes of streamers, which in some cases make the branching inevitable depending on shape and velocity of the volume charge at the streamer frontier. Specifically, any given inhomogeneous perturbation can result in streamer branching if the volume charge layer at the original streamer head is relatively thin and slow enough. Furthermore, discrete nature of electrons at the leading edge of an ionization front always guarantees the existence of a non-zero inhomogeneous perturbation ahead of the streamer head propagating even in perfectly homogeneous dielectric. Based on the modeling results for streamers propagating in a liquid dielectric, a gauge on the streamer head geometry is introduced that determines whether the branching occurs under particular inhomogeneous circumstances. Estimated number, diameter, and velocity of the born branches agree qualitatively with experimental images of the streamer branching.

  7. Deterministic nature of the underlying dynamics of surface wind fluctuations

    NASA Astrophysics Data System (ADS)

    Sreelekshmi, R. C.; Asokan, K.; Satheesh Kumar, K.

    2012-10-01

    Modelling the fluctuations of the Earth's surface wind has a significant role in understanding the dynamics of atmosphere besides its impact on various fields ranging from agriculture to structural engineering. Most of the studies on the modelling and prediction of wind speed and power reported in the literature are based on statistical methods or the probabilistic distribution of the wind speed data. In this paper we investigate the suitability of a deterministic model to represent the wind speed fluctuations by employing tools of nonlinear dynamics. We have carried out a detailed nonlinear time series analysis of the daily mean wind speed data measured at Thiruvananthapuram (8.483° N,76.950° E) from 2000 to 2010. The results of the analysis strongly suggest that the underlying dynamics is deterministic, low-dimensional and chaotic suggesting the possibility of accurate short-term prediction. As most of the chaotic systems are confined to laboratories, this is another example of a naturally occurring time series showing chaotic behaviour.

  8. Deterministic photon-emitter coupling in chiral photonic circuits.

    PubMed

    Söllner, Immo; Mahmoodian, Sahand; Hansen, Sofie Lindskov; Midolo, Leonardo; Javadi, Alisa; Kiršanskė, Gabija; Pregnolato, Tommaso; El-Ella, Haitham; Lee, Eun Hye; Song, Jin Dong; Stobbe, Søren; Lodahl, Peter

    2015-09-01

    Engineering photon emission and scattering is central to modern photonics applications ranging from light harvesting to quantum-information processing. To this end, nanophotonic waveguides are well suited as they confine photons to a one-dimensional geometry and thereby increase the light-matter interaction. In a regular waveguide, a quantum emitter interacts equally with photons in either of the two propagation directions. This symmetry is violated in nanophotonic structures in which non-transversal local electric-field components imply that photon emission and scattering may become directional. Here we show that the helicity of the optical transition of a quantum emitter determines the direction of single-photon emission in a specially engineered photonic-crystal waveguide. We observe single-photon emission into the waveguide with a directionality that exceeds 90% under conditions in which practically all the emitted photons are coupled to the waveguide. The chiral light-matter interaction enables deterministic and highly directional photon emission for experimentally achievable on-chip non-reciprocal photonic elements. These may serve as key building blocks for single-photon optical diodes, transistors and deterministic quantum gates. Furthermore, chiral photonic circuits allow the dissipative preparation of entangled states of multiple emitters for experimentally achievable parameters, may lead to novel topological photon states and could be applied for directional steering of light.

  9. Shock-induced explosive chemistry in a deterministic sample configuration.

    SciTech Connect

    Stuecker, John Nicholas; Castaneda, Jaime N.; Cesarano, Joseph, III; Trott, Wayne Merle; Baer, Melvin R.; Tappan, Alexander Smith

    2005-10-01

    Explosive initiation and energy release have been studied in two sample geometries designed to minimize stochastic behavior in shock-loading experiments. These sample concepts include a design with explosive material occupying the hole locations of a close-packed bed of inert spheres and a design that utilizes infiltration of a liquid explosive into a well-defined inert matrix. Wave profiles transmitted by these samples in gas-gun impact experiments have been characterized by both velocity interferometry diagnostics and three-dimensional numerical simulations. Highly organized wave structures associated with the characteristic length scales of the deterministic samples have been observed. Initiation and reaction growth in an inert matrix filled with sensitized nitromethane (a homogeneous explosive material) result in wave profiles similar to those observed with heterogeneous explosives. Comparison of experimental and numerical results indicates that energetic material studies in deterministic sample geometries can provide an important new tool for validation of models of energy release in numerical simulations of explosive initiation and performance.

  10. Station descriptions and availability of discharge and water-quality data through 1985 for eastern Montana stream sites not included in the National Water Data Exchange Program

    USGS Publications Warehouse

    Groskinsky Link, B. L.; Cary, L.E.

    1988-01-01

    Stations were selected to monitor water discharge and water quality of streams in eastern Montana. This report describes the stations and indicates the availability of hydrologic data through 1985. Included are stations that are operated by organizations that do not belong to the National Water Data Exchange (NAWDEX) program operated by the U.S. Geological Survey. Each station description contains a narration of the station 's history including location, drainage area, elevation, operator, period of record, type of equipment and instruments used at the station, and data availability. The data collected at each station have been identified according to type: water discharge, chemical quality, and suspended sediment. Descriptions are provided for 113 stations. These data have potential uses in characterizing small hydrologic basins, as well as other uses. A map of eastern Montana shows the location of the stations selected. (USGS)

  11. Organizational Uses of Health Information Exchange to Change Cost and Utilization Outcomes: A Typology from a Multi-Site Qualitative Analysis.

    PubMed

    Vest, Joshua R; Abramson, Erika

    2015-01-01

    Health information exchange (HIE) systems facilitate access to patient information for a variety of health care organizations, end users, and clinical and organizational goals. While a complex intervention, organizations' usage of HIE is often conceptualized and measured narrowly. We sought to provide greater specificity to the concept of HIE as an intervention by formulating a typology of organizational HIE usage. We interviewed representatives of a regional health information organization and health care organizations actively using HIE information to change patient utilization and costs. The resultant typology includes three dimensions: user role, usage initiation, and patient set. This approach to categorizing how health care organizations are actually applying HIE information to clinical and business tasks provides greater clarity about HIE as an intervention and helps elucidate the conceptual linkage between HIE an organizational and patient outcomes.

  12. Ion-exchanged binuclear Ca2OX clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolites.

    PubMed

    Larin, A V; Zhidomirov, G M; Trubnikov, D N; Vercauteren, D P

    2010-01-30

    A new series of calcium oxide clusters Ca(2)O(X) (X = 1-4) at cationic positions of mordenite (MOR) and faujasite (FAU) is studied via the isolated cluster approach. Active oxide framework fragments are represented via 8-membered window (8R) in MOR, and two 6R and 4R windows (6R+4R) possessing one common Si-O-Si moiety in FAU. Structural similarities between the Ca(2)O(X)(8R) and Ca(2)O(X)(6R+4R) moieties are considered up to X = 4. High oxidation possibilities of the Ca(2)O(2)(nR) and Ca(2)O(3)(nR) systems are demonstrated relative to CO, whose oxidation over the Ca-exchanged zeolite forms is well studied experimentally. Relevance of the oxide cluster models with respect to trapping and desorption of singlet dioxygen is discussed. Copyright 2009 Wiley Periodicals, Inc.

  13. The role of intra- and inter-site exchange correlations in the extended Falicov-Kimball model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Kumar, Sant; Yadav, Umesh K.; Maitra, T.; Singh, Ishwar

    2016-02-01

    Ground state magnetic properties of the spin-dependent Falicov-Kimball model (FKM) are studied by incorporating the intrasite exchange correlation J (between itinerant d- and localized f-electrons) and intersite (superexchange) correlation Jse (between localized f-electrons) on a triangular lattice for two different fillings. Numerical diagonalization and Monte-Carlo techniques are used to determine the ground state magnetic properties. Transitions from antiferromagnetic to ferromagnetic and again to re-entrant antiferromagnetic phase is observed in a wide range of parameter space. The magnetic moments of d- and f-electrons are observed to depend strongly on the value of J, Jse and also on the total number of d-electrons (Nd).

  14. Influence of Human Activity Patterns, particle composition, and residential air exchange rates on modeled distributions of PM 2.5 exposure compared with central-site monitoring data

    EPA Science Inventory

    Central-site monitors do not account for factors such as outdoor-to-indoor transport and human activity patterns that influence personal exposures to ambient fine-particulate matter (PM2.5). We describe and compare different ambient PM2.5 exposure estimation...

  15. Using model analyses and surface-atmosphere exchange measurements from the Howland AmeriFlux Site in Maine, USA, to improve understanding of forest ecosystem C cycling

    SciTech Connect

    Hollinger, David Y.; Davidson, Eric A.; Richardson, Andrew D.; Dail, D. B.; Scott, N.

    2013-03-25

    Summary of research carried out under Interagency Agreement DE-AI02-07ER64355 with the USDA Forest Service at the Howland Forest AmeriFlux site in central Maine. Includes a list of publications resulting in part or whole from this support.

  16. Influence of Human Activity Patterns, particle composition, and residential air exchange rates on modeled distributions of PM 2.5 exposure compared with central-site monitoring data

    EPA Science Inventory

    Central-site monitors do not account for factors such as outdoor-to-indoor transport and human activity patterns that influence personal exposures to ambient fine-particulate matter (PM2.5). We describe and compare different ambient PM2.5 exposure estimation...

  17. Validation of Deterministic Broadband Ground Motion and Variability with Ground Motion Prediction Equations and Empirical Proxies

    NASA Astrophysics Data System (ADS)

    Withers, K.; Olsen, K. B.; Day, S. M.; Shi, Z.

    2016-12-01

    The decay of energy at high frequencies, decay as a function of distance, source model, and complementary relations between scattering and apparent attenuation are all important features that simulations need to accurately capture to be used for engineering purposes. With the recent addition of realistic fault topography in 3D simulations of earthquake source models, ground motion can be deterministically calculated more realistically up to higher frequencies. Here, we model dynamic rupture propagation for both a generic strike-slip event and blind thrust scenario earthquakes matching the fault geometry of the 1994 Mw 6.7 Northridge earthquake along rough faults up to 7.5 Hz. We include frequency-dependent attenuation via a power law above a reference frequency in the form Q0fn and include nonlinear effects via Drucker-Prager plasticity. We model the region surrounding the fault with and without small-scale medium complexity in both a 1D layered model characteristic of southern California rock and a 3D medium extracted from the SCEC CVM-4.26 model including a near-surface geotechnical layer. However, before the broadband deterministic simulations can be used for engineering applications, validation is required to demonstrate that the energy decay in the synthetics as a function of distance is similar to that for observed ground motions. Here, in addition to comparing with GMPEs, we compare with simple proxy metrics to evaluate the performance of our deterministic models and to determine the importance of the different complexities within our model. We find that 3D media heterogeneity, at both the long and short scale, is necessary to agree with data, and should be included in future simulations to best model the earthquake ground motion and variability. We also measure the decay of energy at high frequencies, known as k, and find realistic results across a narrow bandwidth. We introduce a shallow layer with frequency-independent Q layer in the near surface that

  18. Radiation exchange

    SciTech Connect

    Taylor, J.H. )

    1990-01-01

    This book deals with radiation laws, the phenomena of radiation exchange, the quantification of radiation, and the mechanisms whereby radiation is attenuated in passing through the earth's atmosphere. Applications of radiation exchange are discussed, such as the measurement of the effective radiating temperature of the ozonosphere. Also presented is the development of the concept of atmospheric windows and atmospheric transmittance. Radiation exchange experiments between Earth and space are presented and their interpretations given. The book fives detailed, step-by-step procedures for carrying out the radiometric calibration of an infrared prism spectrometer and a radiation thermopile.

  19. Ground Motion and Variability from 3-D Deterministic Broadband Simulations

    NASA Astrophysics Data System (ADS)

    Withers, Kyle Brett

    The accuracy of earthquake source descriptions is a major limitation in high-frequency (> 1 Hz) deterministic ground motion prediction, which is critical for performance-based design by building engineers. With the recent addition of realistic fault topography in 3D simulations of earthquake source models, ground motion can be deterministically calculated more realistically up to higher frequencies. We first introduce a technique to model frequency-dependent attenuation and compare its impact on strong ground motions recorded for the 2008 Chino Hills earthquake. Then, we model dynamic rupture propagation for both a generic strike-slip event and blind thrust scenario earthquakes matching the fault geometry of the 1994 Mw 6.7 Northridge earthquake along rough faults up to 8 Hz. We incorporate frequency-dependent attenuation via a power law above a reference frequency in the form Q0fn, with high accuracy down to Q values of 15, and include nonlinear effects via Drucker-Prager plasticity. We model the region surrounding the fault with and without small-scale medium complexity in both a 1D layered model characteristic of southern California rock and a 3D medium extracted from the SCEC CVMSi.426 including a near-surface geotechnical layer. We find that the spectral acceleration from our models are within 1-2 interevent standard deviations from recent ground motion prediction equations (GMPEs) and compare well with that of recordings from strong ground motion stations at both short and long periods. At periods shorter than 1 second, Q(f) is needed to match the decay of spectral acceleration seen in the GMPEs as a function of distance from the fault. We find that the similarity between the intraevent variability of our simulations and observations increases when small-scale heterogeneity and plasticity are included, extremely important as uncertainty in ground motion estimates dominates the overall uncertainty in seismic risk. In addition to GMPEs, we compare with simple

  20. Exchange Network

    EPA Pesticide Factsheets

    The Environmental Information Exchange Network (EIEN) is an Internet-based system used by state, tribal and territorial partners to securely share environmental and health information with one another and EPA.

  1. HEAT EXCHANGER

    DOEpatents

    Fox, T.H. III; Richey, T. Jr.; Winders, G.R.

    1962-10-23

    A heat exchanger is designed for use in the transfer of heat between a radioactive fiuid and a non-radioactive fiuid. The exchanger employs a removable section containing the non-hazardous fluid extending into the section designed to contain the radioactive fluid. The removable section is provided with a construction to cancel out thermal stresses. The stationary section is pressurized to prevent leakage of the radioactive fiuid and to maintain a safe, desirable level for this fiuid. (AEC)

  2. Ion exchange technology assessment report

    SciTech Connect

    Duhn, E.F.

    1992-01-01

    In the execution of its charter, the SRS Ion Exchange Technology Assessment Team has determined that ion exchange (IX) technology has evolved to the point where it should now be considered as a viable alternative to the SRS reference ITP/LW/PH process. The ion exchange media available today offer the ability to design ion exchange processing systems tailored to the unique physical and chemical properties of SRS soluble HLW's. The technical assessment of IX technology and its applicability to the processing of SRS soluble HLW has demonstrated that IX is unquestionably a viable technology. A task team was chartered to evaluate the technology of ion exchange and its potential for replacing the present In-Tank Precipitation and proposed Late Wash processes to remove Cs, Sr, and Pu from soluble salt solutions at the Savannah River Site. This report documents the ion exchange technology assessment and conclusions of the task team.

  3. Ion exchange technology assessment report

    SciTech Connect

    Duhn, E.F.

    1992-12-31

    In the execution of its charter, the SRS Ion Exchange Technology Assessment Team has determined that ion exchange (IX) technology has evolved to the point where it should now be considered as a viable alternative to the SRS reference ITP/LW/PH process. The ion exchange media available today offer the ability to design ion exchange processing systems tailored to the unique physical and chemical properties of SRS soluble HLW`s. The technical assessment of IX technology and its applicability to the processing of SRS soluble HLW has demonstrated that IX is unquestionably a viable technology. A task team was chartered to evaluate the technology of ion exchange and its potential for replacing the present In-Tank Precipitation and proposed Late Wash processes to remove Cs, Sr, and Pu from soluble salt solutions at the Savannah River Site. This report documents the ion exchange technology assessment and conclusions of the task team.

  4. Deterministic simulation of thermal neutron radiography and tomography

    NASA Astrophysics Data System (ADS)

    Pal Chowdhury, Rajarshi; Liu, Xin

    2016-05-01

    In recent years, thermal neutron radiography and tomography have gained much attention as one of the nondestructive testing methods. However, the application of thermal neutron radiography and tomography is hindered by their technical complexity, radiation shielding, and time-consuming data collection processes. Monte Carlo simulations have been developed in the past to improve the neutron imaging facility's ability. In this paper, a new deterministic simulation approach has been proposed and demonstrated to simulate neutron radiographs numerically using a ray tracing algorithm. This approach has made the simulation of neutron radiographs much faster than by previously used stochastic methods (i.e., Monte Carlo methods). The major problem with neutron radiography and tomography simulation is finding a suitable scatter model. In this paper, an analytic scatter model has been proposed that is validated by a Monte Carlo simulation.

  5. Additivity Principle in High-Dimensional Deterministic Systems

    NASA Astrophysics Data System (ADS)

    Saito, Keiji; Dhar, Abhishek

    2011-12-01

    The additivity principle (AP), conjectured by Bodineau and Derrida [Phys. Rev. Lett. 92, 180601 (2004)PRLTAO0031-900710.1103/PhysRevLett.92.180601], is discussed for the case of heat conduction in three-dimensional disordered harmonic lattices to consider the effects of deterministic dynamics, higher dimensionality, and different transport regimes, i.e., ballistic, diffusive, and anomalous transport. The cumulant generating function (CGF) for heat transfer is accurately calculated and compared with the one given by the AP. In the diffusive regime, we find a clear agreement with the conjecture even if the system is high dimensional. Surprisingly, even in the anomalous regime the CGF is also well fitted by the AP. Lower-dimensional systems are also studied and the importance of three dimensionality for the validity is stressed.

  6. Additivity principle in high-dimensional deterministic systems.

    PubMed

    Saito, Keiji; Dhar, Abhishek

    2011-12-16

    The additivity principle (AP), conjectured by Bodineau and Derrida [Phys. Rev. Lett. 92, 180601 (2004)], is discussed for the case of heat conduction in three-dimensional disordered harmonic lattices to consider the effects of deterministic dynamics, higher dimensionality, and different transport regimes, i.e., ballistic, diffusive, and anomalous transport. The cumulant generating function (CGF) for heat transfer is accurately calculated and compared with the one given by the AP. In the diffusive regime, we find a clear agreement with the conjecture even if the system is high dimensional. Surprisingly, even in the anomalous regime the CGF is also well fitted by the AP. Lower-dimensional systems are also studied and the importance of three dimensionality for the validity is stressed.

  7. Validation of a Deterministic Vibroacoustic Response Prediction Model

    NASA Technical Reports Server (NTRS)

    Caimi, Raoul E.; Margasahayam, Ravi

    1997-01-01

    This report documents the recently completed effort involving validation of a deterministic theory for the random vibration problem of predicting the response of launch pad structures in the low-frequency range (0 to 50 hertz). Use of the Statistical Energy Analysis (SEA) methods is not suitable in this range. Measurements of launch-induced acoustic loads and subsequent structural response were made on a cantilever beam structure placed in close proximity (200 feet) to the launch pad. Innovative ways of characterizing random, nonstationary, non-Gaussian acoustics are used for the development of a structure's excitation model. Extremely good correlation was obtained between analytically computed responses and those measured on the cantilever beam. Additional tests are recommended to bound the problem to account for variations in launch trajectory and inclination.

  8. Working Memory and Its Relation to Deterministic Sequence Learning

    PubMed Central

    Martini, Markus; Furtner, Marco R.; Sachse, Pierre

    2013-01-01

    Is there a relation between working memory (WM) and incidental sequence learning? Nearly all of the earlier investigations in the role of WM capacity (WMC) in sequence learning suggest no correlations in incidental learning conditions. However, the theoretical view of WM and operationalization of WMC made strong progress in recent years. The current study related performance in a coordination and transformation task to sequence knowledge in a four-choice incidental deterministic serial reaction time (SRT) task and a subsequent free generation task. The response-to-stimulus interval (RSI) was varied between 0 ms and 300 ms. Our results show correlations between WMC and error rates in condition RSI 0 ms. For condition RSI 300 ms we found relations between WMC and sequence knowledge in the SRT task as well as between WMC and generation task performance. Theoretical implications of these findings for ongoing processes during sequence learning and retrieval of sequence knowledge are discussed. PMID:23409148

  9. YALINA analytical benchmark analyses using the deterministic ERANOS code system.

    SciTech Connect

    Gohar, Y.; Aliberti, G.; Nuclear Engineering Division

    2009-08-31

    The growing stockpile of nuclear waste constitutes a severe challenge for the mankind for more than hundred thousand years. To reduce the radiotoxicity of the nuclear waste, the Accelerator Driven System (ADS) has been proposed. One of the most important issues of ADSs technology is the choice of the appropriate neutron spectrum for the transmutation of Minor Actinides (MA) and Long Lived Fission Products (LLFP). This report presents the analytical analyses obtained with the deterministic ERANOS code system for the YALINA facility within: (a) the collaboration between Argonne National Laboratory (ANL) of USA and the Joint Institute for Power and Nuclear Research (JIPNR) Sosny of Belarus; and (b) the IAEA coordinated research projects for accelerator driven systems (ADS). This activity is conducted as a part of the Russian Research Reactor Fuel Return (RRRFR) Program and the Global Threat Reduction Initiative (GTRI) of DOE/NNSA.

  10. Deterministic Production of Photon Number States via Quantum Feedback Control

    NASA Astrophysics Data System (ADS)

    Geremia, J. M.

    2006-05-01

    It is well-known that measurements reduce the state of a quantum system, at least approximately, to an eigenstate of the operator associated with the physical property being measured. Here, we employ a continuous measurement of cavity photon number to achieve a robust, nondestructively verifiable procedure for preparing number states of an optical cavity mode. Such Fock states are highly sought after for the enabling role they play in quantum computing, networking and precision metrology. Furthermore, we demonstrate that the particular Fock state produced in each application of the continuous photon number measurement can be controlled using techniques from real-time quantum feedback control. The result of the feedback- stabilized measurement is a deterministic source of (nearly ideal) cavity Fock states. An analysis of feedback stability and the experimental viability of a quantum optical implementation currently underway at the University of New Mexico will be presented.

  11. Capillary-mediated interface perturbations: Deterministic pattern formation

    NASA Astrophysics Data System (ADS)

    Glicksman, Martin E.

    2016-09-01

    Leibniz-Reynolds analysis identifies a 4th-order capillary-mediated energy field that is responsible for shape changes observed during melting, and for interface speed perturbations during crystal growth. Field-theoretic principles also show that capillary-mediated energy distributions cancel over large length scales, but modulate the interface shape on smaller mesoscopic scales. Speed perturbations reverse direction at specific locations where they initiate inflection and branching on unstable interfaces, thereby enhancing pattern complexity. Simulations of pattern formation by several independent groups of investigators using a variety of numerical techniques confirm that shape changes during both melting and growth initiate at locations predicted from interface field theory. Finally, limit cycles occur as an interface and its capillary energy field co-evolve, leading to synchronized branching. Synchronous perturbations produce classical dendritic structures, whereas asynchronous perturbations observed in isotropic and weakly anisotropic systems lead to chaotic-looking patterns that remain nevertheless deterministic.

  12. Deterministic entanglement generation from driving through quantum phase transitions

    NASA Astrophysics Data System (ADS)

    Luo, Xin-Yu; Zou, Yi-Quan; Wu, Ling-Na; Liu, Qi; Han, Ming-Fei; Tey, Meng Khoon; You, Li

    2017-02-01

    Many-body entanglement is often created through the system evolution, aided by nonlinear interactions between the constituting particles. These very dynamics, however, can also lead to fluctuations and degradation of the entanglement if the interactions cannot be controlled. Here, we demonstrate near-deterministic generation of an entangled twin-Fock condensate of ~11,000 atoms by driving a rubidium-87 Bose-Einstein condensate undergoing spin mixing through two consecutive quantum phase transitions (QPTs). We directly observe number squeezing of 10.7 ± 0.6 decibels and normalized collective spin length of 0.99 ± 0.01. Together, these observations allow us to infer an entanglement-enhanced phase sensitivity of ~6 decibels beyond the standard quantum limit and an entanglement breadth of ~910 atoms. Our work highlights the power of generating large-scale useful entanglement by taking advantage of the different entanglement landscapes separated by QPTs.

  13. Deterministic spin-wave interferometer based on the Rydberg blockade

    SciTech Connect

    Wei Ran; Deng Youjin; Pan Jianwei; Zhao Bo; Chen Yuao

    2011-06-15

    The spin-wave (SW) N-particle path-entangled |N,0>+|0,N> (NOON) state is an N-particle Fock state with two atomic spin-wave modes maximally entangled. Attributed to the property that the phase is sensitive to collective atomic motion, the SW NOON state can be utilized as an atomic interferometer and has promising application in quantum enhanced measurement. In this paper we propose an efficient protocol to deterministically produce the atomic SW NOON state by employing the Rydberg blockade. Possible errors in practical manipulations are analyzed. A feasible experimental scheme is suggested. Our scheme is far more efficient than the recent experimentally demonstrated one, which only creates a heralded second-order SW NOON state.

  14. Safe microburst penetration techniques: A deterministic, nonlinear, optimal control approach

    NASA Technical Reports Server (NTRS)

    Psiaki, Mark L.

    1987-01-01

    A relatively large amount of computer time was used for the calculation of a optimal trajectory, but it is subject to reduction with moderate effort. The Deterministic, Nonlinear, Optimal Control algorithm yielded excellent aircraft performance in trajectory tracking for the given microburst. It did so by varying the angle of attack to counteract the lift effects of microburst induced airspeed variations. Throttle saturation and aerodynamic stall limits were not a problem for the case considered, proving that the aircraft's performance capabilities were not violated by the given wind field. All closed loop control laws previously considered performed very poorly in comparison, and therefore do not come near to taking full advantage of aircraft performance.

  15. Robust Audio Watermarking Scheme Based on Deterministic Plus Stochastic Model

    NASA Astrophysics Data System (ADS)

    Dhar, Pranab Kumar; Kim, Cheol Hong; Kim, Jong-Myon

    Digital watermarking has been widely used for protecting digital contents from unauthorized duplication. This paper proposes a new watermarking scheme based on spectral modeling synthesis (SMS) for copyright protection of digital contents. SMS defines a sound as a combination of deterministic events plus a stochastic component that makes it possible for a synthesized sound to attain all of the perceptual characteristics of the original sound. In our proposed scheme, watermarks are embedded into the highest prominent peak of the magnitude spectrum of each non-overlapping frame in peak trajectories. Simulation results indicate that the proposed watermarking scheme is highly robust against various kinds of attacks such as noise addition, cropping, re-sampling, re-quantization, and MP3 compression and achieves similarity values ranging from 17 to 22. In addition, our proposed scheme achieves signal-to-noise ratio (SNR) values ranging from 29 dB to 30 dB.

  16. Deterministic secure communications using two-mode squeezed states

    SciTech Connect

    Marino, Alberto M.; Stroud, C. R. Jr.

    2006-08-15

    We propose a scheme for quantum cryptography that uses the squeezing phase of a two-mode squeezed state to transmit information securely between two parties. The basic principle behind this scheme is the fact that each mode of the squeezed field by itself does not contain any information regarding the squeezing phase. The squeezing phase can only be obtained through a joint measurement of the two modes. This, combined with the fact that it is possible to perform remote squeezing measurements, makes it possible to implement a secure quantum communication scheme in which a deterministic signal can be transmitted directly between two parties while the encryption is done automatically by the quantum correlations present in the two-mode squeezed state.

  17. Qubit-mediated deterministic nonlinear gates for quantum oscillators.

    PubMed

    Park, Kimin; Marek, Petr; Filip, Radim

    2017-09-14

    Quantum nonlinear operations for harmonic oscillator systems play a key role in the development of analog quantum simulators and computers. Since strong highly nonlinear operations are often unavailable in the existing physical systems, it is a common practice to approximate them by using conditional measurement-induced methods. The conditional approach has several drawbacks, the most severe of which is the exponentially decreasing success rate of the strong and complex nonlinear operations. We show that by using a suitable two level system sequentially interacting with the oscillator, it is possible to resolve these issues and implement a nonlinear operation both nearly deterministically and nearly perfectly. We explicitly demonstrate the approach by constructing self-Kerr and cross-Kerr couplings in a realistic situation, which require a feasible dispersive coupling between the two-level system and the oscillator.

  18. Deterministic generation of a cluster state of entangled photons

    NASA Astrophysics Data System (ADS)

    Schwartz, I.; Cogan, D.; Schmidgall, E. R.; Don, Y.; Gantz, L.; Kenneth, O.; Lindner, N. H.; Gershoni, D.

    2016-10-01

    Photonic cluster states are a resource for quantum computation based solely on single-photon measurements. We use semiconductor quantum dots to deterministically generate long strings of polarization-entangled photons in a cluster state by periodic timed excitation of a precessing matter qubit. In each period, an entangled photon is added to the cluster state formed by the matter qubit and the previously emitted photons. In our prototype device, the qubit is the confined dark exciton, and it produces strings of hundreds of photons in which the entanglement persists over five sequential photons. The measured process map characterizing the device has a fidelity of 0.81 with that of an ideal device. Further feasible improvements of this device may reduce the resources needed for optical quantum information processing.

  19. More on exact state reconstruction in deterministic digital control systems

    NASA Technical Reports Server (NTRS)

    Polites, Michael E.

    1988-01-01

    Presented is a special form of the Ideal State Reconstructor for deterministic digital control systems which is simpler to implement than the most general form. The Ideal State Reconstructor is so named because, if the plant parameters are known exactly, its output will exactly equal, not just approximate, the true state of the plant and accomplish this without any knowledge of the plant's initial state. Besides this, it adds no new states or eigenvalues to the system. Nor does it affect the plant equation for the system in any way; it affects the measurement equation only. It is characterized by the fact that discrete measurements are generated every T/N seconds and input into a multi-input/multi-output moving-average (MA) process. The output of this process is sampled every T seconds and utilized in reconstructing the state of the system.

  20. Derivation Of Probabilistic Damage Definitions From High Fidelity Deterministic Computations

    SciTech Connect

    Leininger, L D

    2004-10-26

    This paper summarizes a methodology used by the Underground Analysis and Planning System (UGAPS) at Lawrence Livermore National Laboratory (LLNL) for the derivation of probabilistic damage curves for US Strategic Command (USSTRATCOM). UGAPS uses high fidelity finite element and discrete element codes on the massively parallel supercomputers to predict damage to underground structures from military interdiction scenarios. These deterministic calculations can be riddled with uncertainty, especially when intelligence, the basis for this modeling, is uncertain. The technique presented here attempts to account for this uncertainty by bounding the problem with reasonable cases and using those bounding cases as a statistical sample. Probability of damage curves are computed and represented that account for uncertainty within the sample and enable the war planner to make informed decisions. This work is flexible enough to incorporate any desired damage mechanism and can utilize the variety of finite element and discrete element codes within the national laboratory and government contractor community.

  1. Entanglement and deterministic quantum computing with one qubit

    NASA Astrophysics Data System (ADS)

    Boyer, Michel; Brodutch, Aharon; Mor, Tal

    2017-02-01

    The role of entanglement and quantum correlations in complex physical systems and quantum information processing devices has become a topic of intense study in the past two decades. In this work we present tools for learning about entanglement and quantum correlations in dynamical systems where the quantum states are mixed and the eigenvalue spectrum is highly degenerate. We apply these results to the deterministic quantum computing with one qubit (DQC1) computation model and show that the states generated in a DQC1 circuit have an eigenvalue structure that makes them difficult to entangle, even when they are relatively far from the completely mixed state. Our results strengthen the conjecture that it may be possible to find quantum algorithms that do not generate entanglement and yet still have an exponential advantage over their classical counterparts.

  2. Location deterministic biosensing from quantum-dot-nanowire assemblies

    SciTech Connect

    Liu, Chao; Kim, Kwanoh; Fan, D. L.

    2014-08-25

    Semiconductor quantum dots (QDs) with high fluorescent brightness, stability, and tunable sizes, have received considerable interest for imaging, sensing, and delivery of biomolecules. In this research, we demonstrate location deterministic biochemical detection from arrays of QD-nanowire hybrid assemblies. QDs with diameters less than 10 nm are manipulated and precisely positioned on the tips of the assembled Gold (Au) nanowires. The manipulation mechanisms are quantitatively understood as the synergetic effects of dielectrophoretic (DEP) and alternating current electroosmosis (ACEO) due to AC electric fields. The QD-nanowire hybrid sensors operate uniquely by concentrating bioanalytes to QDs on the tips of nanowires before detection, offering much enhanced efficiency and sensitivity, in addition to the position-predictable rationality. This research could result in advances in QD-based biomedical detection and inspires an innovative approach for fabricating various QD-based nanodevices.

  3. Sensitivity analysis in a Lassa fever deterministic mathematical model

    NASA Astrophysics Data System (ADS)

    Abdullahi, Mohammed Baba; Doko, Umar Chado; Mamuda, Mamman

    2015-05-01

    Lassa virus that causes the Lassa fever is on the list of potential bio-weapons agents. It was recently imported into Germany, the Netherlands, the United Kingdom and the United States as a consequence of the rapid growth of international traffic. A model with five mutually exclusive compartments related to Lassa fever is presented and the basic reproduction number analyzed. A sensitivity analysis of the deterministic model is performed. This is done in order to determine the relative importance of the model parameters to the disease transmission. The result of the sensitivity analysis shows that the most sensitive parameter is the human immigration, followed by human recovery rate, then person to person contact. This suggests that control strategies should target human immigration, effective drugs for treatment and education to reduced person to person contact.

  4. Deterministic single-file dynamics in collisional representation.

    PubMed

    Marchesoni, F; Taloni, A

    2007-12-01

    We re-examine numerically the diffusion of a deterministic, or ballistic single file with preassigned velocity distribution (Jepsen's gas) from a collisional viewpoint. For a two-modal velocity distribution, where half the particles have velocity +/-c, the collisional statistics is analytically proven to reproduce the continuous time representation. For a three-modal velocity distribution with equal fractions, where less than 12 of the particles have velocity +/-c, with the remaining particles at rest, the collisional process is shown to be inhomogeneous; its stationary properties are discussed here by combining exact and phenomenological arguments. Collisional memory effects are then related to the negative power-law tails in the velocity autocorrelation functions, predicted earlier in the continuous time formalism. Numerical and analytical results for Gaussian and four-modal Jepsen's gases are also reported for the sake of a comparison.

  5. Integrating Clonal Selection and Deterministic Sampling for Efficient Associative Classification

    PubMed Central

    Elsayed, Samir A. Mohamed; Rajasekaran, Sanguthevar; Ammar, Reda A.

    2013-01-01

    Traditional Associative Classification (AC) algorithms typically search for all possible association rules to find a representative subset of those rules. Since the search space of such rules may grow exponentially as the support threshold decreases, the rules discovery process can be computationally expensive. One effective way to tackle this problem is to directly find a set of high-stakes association rules that potentially builds a highly accurate classifier. This paper introduces AC-CS, an AC algorithm that integrates the clonal selection of the immune system along with deterministic data sampling. Upon picking a representative sample of the original data, it proceeds in an evolutionary fashion to populate only rules that are likely to yield good classification accuracy. Empirical results on several real datasets show that the approach generates dramatically less rules than traditional AC algorithms. In addition, the proposed approach is significantly more efficient than traditional AC algorithms while achieving a competitive accuracy. PMID:24500504

  6. Testing for chaos in deterministic systems with noise

    NASA Astrophysics Data System (ADS)

    Gottwald, Georg A.; Melbourne, Ian

    2005-12-01

    Recently, we introduced a new test for distinguishing regular from chaotic dynamics in deterministic dynamical systems and argued that the test had certain advantages over the traditional test for chaos using the maximal Lyapunov exponent. In this paper, we investigate the capability of the test to cope with moderate amounts of noisy data. Comparisons are made between an improved version of our test and both the “tangent space method” and “direct method” for computing the maximal Lyapunov exponent. The evidence of numerical experiments, ranging from the logistic map to an eight-dimensional Lorenz system of differential equations (the Lorenz 96 system), suggests that our method is superior to tangent space methods and that it compares very favourably with direct methods.

  7. Classification and unification of the microscopic deterministic traffic models

    NASA Astrophysics Data System (ADS)

    Yang, Bo; Monterola, Christopher

    2015-10-01

    We identify a universal mathematical structure in microscopic deterministic traffic models (with identical drivers), and thus we show that all such existing models in the literature, including both the two-phase and three-phase models, can be understood as special cases of a master model by expansion around a set of well-defined ground states. This allows any two traffic models to be properly compared and identified. The three-phase models are characterized by the vanishing of leading orders of expansion within a certain density range, and as an example the popular intelligent driver model is shown to be equivalent to a generalized optimal velocity (OV) model. We also explore the diverse solutions of the generalized OV model that can be important both for understanding human driving behaviors and algorithms for autonomous driverless vehicles.

  8. A deterministic computational procedure for space environment electron transport

    NASA Astrophysics Data System (ADS)

    Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamczyk, Anne M.

    2010-08-01

    A deterministic computational procedure for describing the transport of electrons in condensed media is formulated to simulate the effects and exposures from spectral distributions typical of electrons trapped in planetary magnetic fields. The primary purpose for developing the procedure is to provide a means of rapidly performing numerous repetitive transport calculations essential for electron radiation exposure assessments for complex space structures. The present code utilizes well-established theoretical representations to describe the relevant interactions and transport processes. A combined mean free path and average trajectory approach is used in the transport formalism. For typical space environment spectra, several favorable comparisons with Monte Carlo calculations are made which have indicated that accuracy is not compromised at the expense of the computational speed.

  9. Reinforcement learning output feedback NN control using deterministic learning technique.

    PubMed

    Xu, Bin; Yang, Chenguang; Shi, Zhongke

    2014-03-01

    In this brief, a novel adaptive-critic-based neural network (NN) controller is investigated for nonlinear pure-feedback systems. The controller design is based on the transformed predictor form, and the actor-critic NN control architecture includes two NNs, whereas the critic NN is used to approximate the strategic utility function, and the action NN is employed to minimize both the strategic utility function and the tracking error. A deterministic learning technique has been employed to guarantee that the partial persistent excitation condition of internal states is satisfied during tracking control to a periodic reference orbit. The uniformly ultimate boundedness of closed-loop signals is shown via Lyapunov stability analysis. Simulation results are presented to demonstrate the effectiveness of the proposed control.

  10. A Deterministic Computational Procedure for Space Environment Electron Transport

    NASA Technical Reports Server (NTRS)

    Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamcyk, Anne M.

    2010-01-01

    A deterministic computational procedure for describing the transport of electrons in condensed media is formulated to simulate the effects and exposures from spectral distributions typical of electrons trapped in planetary magnetic fields. The primary purpose for developing the procedure is to provide a means of rapidly performing numerous repetitive transport calculations essential for electron radiation exposure assessments for complex space structures. The present code utilizes well-established theoretical representations to describe the relevant interactions and transport processes. A combined mean free path and average trajectory approach is used in the transport formalism. For typical space environment spectra, several favorable comparisons with Monte Carlo calculations are made which have indicated that accuracy is not compromised at the expense of the computational speed.

  11. Deterministic Direct Aperture Optimization Using Multiphase Piecewise Constant Segmentation

    NASA Astrophysics Data System (ADS)

    Nguyen, Dan Minh

    Purpose: Direct Aperture Optimization (DAO) attempts to incorporate machine constraints in the inverse optimization to eliminate the post-processing steps in fluence map optimization (FMO) that degrade plan quality. Current commercial DAO methods utilize a stochastic or greedy approach to search a small aperture solution space. In this study, we propose a novel deterministic direct aperture optimization that integrates the segmentation of fluence map in the optimization problem using the multiphase piecewise constant Mumford-Shah formulation. Methods: The deterministic DAO problem was formulated to include an L2-norm dose fidelity term to penalize differences between the projected dose and the prescribed dose, an anisotropic total variation term to promote piecewise continuity in the fluence maps, and the multiphase piecewise constant Mumford-Shah function to partition the fluence into pairwise discrete segments. A proximal-class, first-order primal-dual solver was implemented to solve the large scale optimization problem, and an alternating module strategy was implemented to update fluence and delivery segments. Three patients of varying complexity-one glioblastoma multiforme (GBM) patient, one lung (LNG) patient, and one bilateral head and neck (H&N) patient with 3 PTVs-were selected to test the new DAO method. For comparison, a popular and successful approach to DAO known as simulated annealing-a stochastic approach-was replicated. Each patient was planned using the Mumford-Shah based DAO (DAOMS) and the simulated annealing based DAO (DAOSA). PTV coverage, PTV homogeneity (D95/D5), and OAR sparing were assessed for each plan. In addition, high dose spillage, defined as the 50% isodose volume divided by the tumor volume, as well as conformity, defined as the van't Riet conformation number, were evaluated. Results: DAOMS achieved essentially the same OAR doses compared with the DAOSA plans for the GBM case. The average difference of OAR Dmax and Dmean between the

  12. Conservative deterministic spectral Boltzmann solver near the grazing collisions limit

    NASA Astrophysics Data System (ADS)

    Haack, Jeffrey R.; Gamba, Irene M.

    2012-11-01

    We present new results building on the conservative deterministic spectral method for the space homogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. Within this framework we have extended the formulation to the case of more general case of collision operators with anisotropic scattering mechanisms, which requires a new formulation of the convolution weights. We also derive the grazing collisions limit for the method, and show that it is consistent with the Fokker-Planck-Landau equations as the grazing collisions parameter goes to zero.

  13. Use of Seismotectonic Information for the Seismic Hazard Analysis for Surat City, Gujarat, India: Deterministic and Probabilistic Approach

    NASA Astrophysics Data System (ADS)

    Thaker, T. P.; Rathod, Ganesh W.; Rao, K. S.; Gupta, K. K.

    2012-01-01

    Surat, the financial capital of Gujarat, India, is a mega city with a population exceeding five millions. The city falls under Zone III of the Seismic Zoning Map of India. After the devastating 2001 Bhuj earthquake of Mw 7.7, much attention is paid towards the seismic microzonation activity in the state of Gujarat. In this work, an attempt has been made to evaluate the seismic hazard for Surat City (21.170 N, 72.830 E) based on the probabilistic and deterministic seismic hazard analysis. After collecting a catalogue of historical earthquakes in a 350 km radius around the city and after analyzing a database statistically, deterministic analysis has been carried out considering known tectonic sources; a further recurrence relationship for the control region is found out. Probabilistic seismic hazard analyses were then carried out for the Surat region considering five seismotectonic sources selected from a deterministic approach. The final results of the present investigations are presented in the form of peak ground acceleration and response spectra at bed rock level considering the local site conditions. Rock level Peak Ground Acceleration (PGA) and spectral acceleration values at 0.01 s and 1.0 s corresponding to 10% and 2% probability of exceedance in 50 years have been calculated. Further Uniform Hazard Response Spectrum (UHRS) at rock level for 5% damping, and 10% and 2% probability of exceedance in 50 years, were also developed for the city considering all site classes. These results can be directly used by engineers as basic inputs in earthquake-resistant design of structures in and around the city.

  14. Application of Stochastic and Deterministic Approaches to Modeling Interstellar Chemistry

    NASA Astrophysics Data System (ADS)

    Pei, Yezhe

    This work is about simulations of interstellar chemistry using the deterministic rate equation (RE) method and the stochastic moment equation (ME) method. Primordial metal-poor interstellar medium (ISM) is of our interest and the socalled “Population-II” stars could have been formed in this environment during the “Epoch of Reionization” in the baby universe. We build a gas phase model using the RE scheme to describe the ionization-powered interstellar chemistry. We demonstrate that OH replaces CO as the most abundant metal-bearing molecule in such interstellar clouds of the early universe. Grain surface reactions play an important role in the studies of astrochemistry. But the lack of an accurate yet effective simulation method still presents a challenge, especially for large, practical gas-grain system. We develop a hybrid scheme of moment equations and rate equations (HMR) for large gas-grain network to model astrochemical reactions in the interstellar clouds. Specifically, we have used a large chemical gas-grain model, with stochastic moment equations to treat the surface chemistry and deterministic rate equations to treat the gas phase chemistry, to simulate astrochemical systems as of the ISM in the Milky Way, the Large Magellanic Cloud (LMC) and Small Magellanic Cloud (SMC). We compare the results to those of pure rate equations and modified rate equations and present a discussion about how moment equations improve our theoretical modeling and how the abundances of the assorted species are changed by varied metallicity. We also model the observed composition of H2O, CO and CO2 ices toward Young Stellar Objects in the LMC and show that the HMR method gives a better match to the observation than the pure RE method.

  15. Deterministic Earthquake Hazard Assessment by Public Agencies in California

    NASA Astrophysics Data System (ADS)

    Mualchin, L.

    2005-12-01

    Even in its short recorded history, California has experienced a number of damaging earthquakes that have resulted in new codes and other legislation for public safety. In particular, the 1971 San Fernando earthquake produced some of the most lasting results such as the Hospital Safety Act, the Strong Motion Instrumentation Program, the Alquist-Priolo Special Studies Zone Act, and the California Department of Transportation (Caltrans') fault-based deterministic seismic hazard (DSH) map. The latter product provides values for earthquake ground motions based on Maximum Credible Earthquakes (MCEs), defined as the largest earthquakes that can reasonably be expected on faults in the current tectonic regime. For surface fault rupture displacement hazards, detailed study of the same faults apply. Originally, hospital, dam, and other critical facilities used seismic design criteria based on deterministic seismic hazard analyses (DSHA). However, probabilistic methods grew and took hold by introducing earthquake design criteria based on time factors and quantifying "uncertainties", by procedures such as logic trees. These probabilistic seismic hazard analyses (PSHA) ignored the DSH approach. Some agencies were influenced to adopt only the PSHA method. However, deficiencies in the PSHA method are becoming recognized, and the use of the method is now becoming a focus of strong debate. Caltrans is in the process of producing the fourth edition of its DSH map. The reason for preferring the DSH method is that Caltrans believes it is more realistic than the probabilistic method for assessing earthquake hazards that may affect critical facilities, and is the best available method for insuring public safety. Its time-invariant values help to produce robust design criteria that are soundly based on physical evidence. And it is the method for which there is the least opportunity for unwelcome surprises.

  16. Deterministic diffusion fiber tracking improved by quantitative anisotropy.

    PubMed

    Yeh, Fang-Cheng; Verstynen, Timothy D; Wang, Yibao; Fernández-Miranda, Juan C; Tseng, Wen-Yih Isaac

    2013-01-01

    Diffusion MRI tractography has emerged as a useful and popular tool for mapping connections between brain regions. In this study, we examined the performance of quantitative anisotropy (QA) in facilitating deterministic fiber tracking. Two phantom studies were conducted. The first phantom study examined the susceptibility of fractional anisotropy (FA), generalized factional anisotropy (GFA), and QA to various partial volume effects. The second phantom study examined the spatial resolution of the FA-aided, GFA-aided, and QA-aided tractographies. An in vivo study was conducted to track the arcuate fasciculus, and two neurosurgeons blind to the acquisition and analysis settings were invited to identify false tracks. The performance of QA in assisting fiber tracking was compared with FA, GFA, and anatomical information from T1-weighted images. Our first phantom study showed that QA is less sensitive to the partial volume effects of crossing fibers and free water, suggesting that it is a robust index. The second phantom study showed that the QA-aided tractography has better resolution than the FA-aided and GFA-aided tractography. Our in vivo study further showed that the QA-aided tractography outperforms the FA-aided, GFA-aided, and anatomy-aided tractographies. In the shell scheme (HARDI), the FA-aided, GFA-aided, and anatomy-aided tractographies have 30.7%, 32.6%, and 24.45% of the false tracks, respectively, while the QA-aided tractography has 16.2%. In the grid scheme (DSI), the FA-aided, GFA-aided, and anatomy-aided tractographies have 12.3%, 9.0%, and 10.93% of the false tracks, respectively, while the QA-aided tractography has 4.43%. The QA-aided deterministic fiber tracking may assist fiber tracking studies and facilitate the advancement of human connectomics.

  17. Comparative hydrogen-deuterium exchange for a mesophilic vs thermophilic dihydrofolate reductase at 25 °C: identification of a single active site region with enhanced flexibility in the mesophilic protein.

    PubMed

    Oyeyemi, Olayinka A; Sours, Kevin M; Lee, Thomas; Kohen, Amnon; Resing, Katheryn A; Ahn, Natalie G; Klinman, Judith P

    2011-09-27

    The technique of hydrogen-deuterium exchange coupled to mass spectrometry (HDX-MS) has been applied to a mesophilic (E. coli) dihydrofolate reductase under conditions that allow direct comparison to a thermophilic (B. stearothermophilus) ortholog, Ec-DHFR and Bs-DHFR, respectively. The analysis of hydrogen-deuterium exchange patterns within proteolytically derived peptides allows spatial resolution, while requiring a series of controls to compare orthologous proteins with only ca. 40% sequence identity. These controls include the determination of primary structure effects on intrinsic rate constants for HDX as well as the use of existing 3-dimensional structures to evaluate the distance of each backbone amide hydrogen to the protein surface. Only a single peptide from the Ec-DHFR is found to be substantially more flexible than the Bs-DHFR at 25 °C in a region located within the protein interior at the intersection of the cofactor and substrate-binding sites. The surrounding regions of the enzyme are either unchanged or more flexible in the thermophilic DHFR from B. stearothermophilus. The region with increased flexibility in Ec-DHFR corresponds to one of two regions previously proposed to control the enthalpic barrier for hydride transfer in Bs-DHFR [Oyeyemi et al. (2010) Proc. Natl. Acad. Sci. U.S.A. 107, 10074].

  18. Localization of the labile disulfide bond between SU and TM of the murine leukemia virus envelope protein complex to a highly conserved CWLC motif in SU that resembles the active-site sequence of thiol-disulfide exchange enzymes.

    PubMed Central

    Pinter, A; Kopelman, R; Li, Z; Kayman, S C; Sanders, D A

    1997-01-01

    Previous studies have indicated that the surface (SU) and transmembrane (TM) subunits of the envelope protein (Env) of murine leukemia viruses (MuLVs) are joined by a labile disulfide bond that can be stabilized by treatment of virions with thiol-specific reagents. In the present study this observation was extended to the Envs of additional classes of MuLV, and the cysteines of SU involved in this linkage were mapped by proteolytic fragmentation analyses to the CWLC sequence present at the beginning of the C-terminal domain of SU. This sequence is highly conserved across a broad range of distantly related retroviruses and resembles the CXXC motif present at the active site of thiol-disulfide exchange enzymes. A model is proposed in which rearrangements of the SU-TM intersubunit disulfide linkage, mediated by the CWLC sequence, play roles in the assembly and function of the Env complex. PMID:9311907

  19. Cross-validation based single response adaptive design of experiments for Kriging metamodeling of deterministic computer simulations

    SciTech Connect

    Aute, Vikrant; Saleh, Khaled; Abdelaziz, Omar; Azarm, Shapour; Radermacher, Reinhard

    2013-01-01

    A new approach for single response adaptive design of deterministic computer experiments is presented. The approach is called SFCVT, for Space-Filling CrossValidation Tradeoff. SFCVT uses metamodeling to obtain an estimate of cross-validation errors, which are maximized subject to a constraint on space filling to determine sample points in the design space. The proposed method is compared, using a test suite of forty four numerical examples, with three DOE methods from the literature. The numerical test examples can be classified into symmetric and asymmetric functions. Symmetric examples refer to functions for which the extreme points are located symmetrically in the design space and asymmetric examples are those for which the extreme regions are not located in a symmetric fashion in the design space. Based upon the comparison results for the numerical examples, it is shown that SFCVT performs better than an existing adaptive and a non-adaptive DOE method for asymmetric multimodal functions with high nonlinearity near the boundary, and is comparable for symmetric multimodal functions and other test problems. The proposed approach is integrated with a multi-scale heat exchanger optimization tool to reduce the computational effort involved in the design of novel air-to-water heat exchangers. In conclusion, the resulting designs are shown to be significantly more compact than mainstream heat exchanger designs.

  20. From scale invariance to deterministic chaos in DNA sequences: towards a deterministic description of gene organization in the human genome

    NASA Astrophysics Data System (ADS)

    Nicolay, S.; Brodie of Brodie, E. B.; Touchon, M.; d'Aubenton-Carafa, Y.; Thermes, C.; Arneodo, A.

    2004-10-01

    We use the continuous wavelet transform to perform a space-scale analysis of the AT and GC skews (strand asymmetries) in human genomic sequences, which have been shown to correlate with gene transcription. This study reveals the existence of a characteristic scale ℓ c≃25±10 kb that separates a monofractal long-range correlated noisy regime at small scales (ℓ<ℓ c) from relaxational oscillatory behavior at large-scale (ℓ>ℓ c). We show that these large scale nonlinear oscillations enlighten an organization of the human genome into adjacent domains ( ≈400 kb) with preferential gene orientation. When using classical techniques from dynamical systems theory, we demonstrate that these relaxational oscillations display all the characteristic properties of the chaotic strange attractor behavior observed nearby homoclinic orbits of Shil'nikov type. We discuss the possibility that replication and gene regulation processes are governed by a low-dimensional dynamical system that displays deterministic chaos.

  1. Deterministic and Stochastic Analysis of a Prey-Dependent Predator-Prey System

    ERIC Educational Resources Information Center

    Maiti, Alakes; Samanta, G. P.

    2005-01-01

    This paper reports on studies of the deterministic and stochastic behaviours of a predator-prey system with prey-dependent response function. The first part of the paper deals with the deterministic analysis of uniform boundedness, permanence, stability and bifurcation. In the second part the reproductive and mortality factors of the prey and…

  2. Deterministic and Stochastic Analysis of a Prey-Dependent Predator-Prey System

    ERIC Educational Resources Information Center

    Maiti, Alakes; Samanta, G. P.

    2005-01-01

    This paper reports on studies of the deterministic and stochastic behaviours of a predator-prey system with prey-dependent response function. The first part of the paper deals with the deterministic analysis of uniform boundedness, permanence, stability and bifurcation. In the second part the reproductive and mortality factors of the prey and…

  3. Gas exchange and chlorophyll fluorescence of pea (Pisum sativum L.) plants in response to ambient ozone at a rural site in Egypt.

    PubMed

    Ismail, I M; Basahi, J M; Hassan, I A

    2014-11-01

    Egyptian pea cultivars (Pisum sativum L. cultivars Little Marvel, Perfection and Victory) grown in open-top chambers were exposed to either charcoal-filtered (FA) or non-filtered air (NF) for five consecutive years (2009-2013) at a rural site in northern Egypt. Net photosynthetic rates (PN), stomatal conductance (gs), intercellular CO2 (Ci) and chlorophyll fluorescence were measured. Ozone (O3) was found to be the most prevalent pollutant common at the rural site and is suspected to be involved in the alteration of the physiological parameters measured in the present investigation. PN of different cultivars were found to respond similarly; decreases of 23, 29 and 39% were observed in the cultivars Perfection, Little Marvel and Victory, respectively (averaged over the five years) due to ambient O3. The maximum impairment in PN was recorded in the cultivar Victory (46%) in 2013 when the highest O3 levels were recorded (90 nL L(-1)). The average stomatal conductance decreased by 20 and 18% in the cultivars Little Marvel and Perfection, respectively, while the average stomatal conductance increased on average by 27% in the cultivar Victory. A significant correlation was found between PN and Ci, indicating the importance of non-stomatal limitations of photosynthesis, especially in the cultivar Victory. The PN vs. Ci curves were fitted to a non-rectangular hyperbolic model. The actual quantum yield (ΦPSII) and photochemical quenching coefficient (qP) were significantly decreased in the leaves of plants exposed to NF air. Non-photochemical quenching (NPQ) was increased in all cultivars. Exposure to NF air caused reductions in chlorophyll (Chl a) of 19, 16 and 30% in the Little Marvel, Perfection and Victory cultivars, respectively.

  4. Deterministic approach for multiple-source tsunami hazard assessment for Sines, Portugal

    NASA Astrophysics Data System (ADS)

    Wronna, M.; Omira, R.; Baptista, M. A.

    2015-11-01

    In this paper, we present a deterministic approach to tsunami hazard assessment for the city and harbour of Sines, Portugal, one of the test sites of project ASTARTE (Assessment, STrategy And Risk Reduction for Tsunamis in Europe). Sines has one of the most important deep-water ports, which has oil-bearing, petrochemical, liquid-bulk, coal, and container terminals. The port and its industrial infrastructures face the ocean southwest towards the main seismogenic sources. This work considers two different seismic zones: the Southwest Iberian Margin and the Gloria Fault. Within these two regions, we selected a total of six scenarios to assess the tsunami impact at the test site. The tsunami simulations are computed using NSWING, a Non-linear Shallow Water model wIth Nested Grids. In this study, the static effect of tides is analysed for three different tidal stages: MLLW (mean lower low water), MSL (mean sea level), and MHHW (mean higher high water). For each scenario, the tsunami hazard is described by maximum values of wave height, flow depth, drawback, maximum inundation area and run-up. Synthetic waveforms are computed at virtual tide gauges at specific locations outside and inside the harbour. The final results describe the impact at the Sines test site considering the single scenarios at mean sea level, the aggregate scenario, and the influence of the tide on the aggregate scenario. The results confirm the composite source of Horseshoe and Marques de Pombal faults as the worst-case scenario, with wave heights of over 10 m, which reach the coast approximately 22 min after the rupture. It dominates the aggregate scenario by about 60 % of the impact area at the test site, considering maximum wave height and maximum flow depth. The HSMPF scenario inundates a total area of 3.5 km2.

  5. Nonadiabatic exchange dynamics during adiabatic frequency sweeps.

    PubMed

    Barbara, Thomas M

    2016-04-01

    A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.

  6. Electromagnetic field enhancement and light localization in deterministic aperiodic nanostructures

    NASA Astrophysics Data System (ADS)

    Gopinath, Ashwin

    The control of light matter interaction in periodic and random media has been investigated in depth during the last few decades, yet structures with controlled degree of disorder such as Deterministic Aperiodic Nano Structures (DANS) have been relatively unexplored. DANS are characterized by non-periodic yet long-range correlated (deterministic) morphologies and can be generated by the mathematical rules of symbolic dynamics and number theory. In this thesis, I have experimentally investigated the unique light transport and localization properties in planar dielectric and metal (plasmonics) DANS. In particular, I have focused on the design, nanofabrication and optical characterization of DANS, formed by arranging metal/dielectric nanoparticles in an aperiodic lattice. This effort is directed towards development of on-chip nanophotonic applications with emphasis on label-free bio-sensing and enhanced light emission. The DANS designed as Surface Enhanced Raman Scattering (SERS) substrate is composed of multi-scale aperiodic nanoparticle arrays fabricated by e-beam lithography and are capable of reproducibly demonstrating enhancement factors as high as ˜107. Further improvement of SERS efficiency is achieved by combining DANS formed by top-down approach with bottom-up reduction of gold nanoparticles, to fabricate novel nanostructures called plasmonic "nano-galaxies" which increases the SERS enhancement factors by 2--3 orders of magnitude while preserving the reproducibility. In this thesis, along with presenting details of fabrication and SERS characterization of these "rationally designed" SERS substrates, I will also present results on using these substrates for detection of DNA nucleobases, as well as reproducible label-free detection of pathogenic bacteria with species specificity. In addition to biochemical detection, the combination of broadband light scattering behavior and the ability for the generation of reproducible high fields in DANS make these

  7. Heat exchanger

    DOEpatents

    Wolowodiuk, Walter

    1976-01-06

    A heat exchanger of the straight tube type in which different rates of thermal expansion between the straight tubes and the supply pipes furnishing fluid to those tubes do not result in tube failures. The supply pipes each contain a section which is of helical configuration.

  8. Heat exchanger

    DOEpatents

    Daman, Ernest L.; McCallister, Robert A.

    1979-01-01

    A heat exchanger is provided having first and second fluid chambers for passing primary and secondary fluids. The chambers are spaced apart and have heat pipes extending from inside one chamber to inside the other chamber. A third chamber is provided for passing a purge fluid, and the heat pipe portion between the first and second chambers lies within the third chamber.

  9. Pu Anion Exchange Process Intensification

    SciTech Connect

    Taylor-Pashow, K.

    2015-10-08

    This project seeks to improve the efficiency of the plutonium anion-exchange process for purifying Pu through the development of alternate ion-exchange media. The objective of the project in FY15 was to develop and test a porous foam monolith material that could serve as a replacement for the current anion-exchange resin, Reillex® HPQ, used at the Savannah River Site (SRS) for purifying Pu. The new material provides advantages in efficiency over the current resin by the elimination of diffusive mass transport through large granular resin beads. By replacing the large resin beads with a porous foam there is much more efficient contact between the Pu solution and the anion-exchange sites present on the material. Several samples of a polystyrene based foam grafted with poly(4-vinylpyridine) were prepared and the Pu sorption was tested in batch contact tests.

  10. Deterministic entanglement generation from driving through quantum phase transitions.

    PubMed

    Luo, Xin-Yu; Zou, Yi-Quan; Wu, Ling-Na; Liu, Qi; Han, Ming-Fei; Tey, Meng Khoon; You, Li

    2017-02-10

    Many-body entanglement is often created through the system evolution, aided by nonlinear interactions between the constituting particles. These very dynamics, however, can also lead to fluctuations and degradation of the entanglement if the interactions cannot be controlled. Here, we demonstrate near-deterministic generation of an entangled twin-Fock condensate of ~11,000 atoms by driving a arubidium-87 Bose-Einstein condensate undergoing spin mixing through two consecutive quantum phase transitions (QPTs). We directly observe number squeezing of 10.7 ± 0.6 decibels and normalized collective spin length of 0.99 ± 0.01. Together, these observations allow us to infer an entanglement-enhanced phase sensitivity of ~6 decibels beyond the standard quantum limit and an entanglement breadth of ~910 atoms. Our work highlights the power of generating large-scale useful entanglement by taking advantage of the different entanglement landscapes separated by QPTs. Copyright © 2017, American Association for the Advancement of Science.

  11. Mesoscopic quantum emitters from deterministic aggregates of conjugated polymers

    PubMed Central

    Stangl, Thomas; Wilhelm, Philipp; Remmerssen, Klaas; Höger, Sigurd; Vogelsang, Jan; Lupton, John M.

    2015-01-01

    An appealing definition of the term “molecule” arises from consideration of the nature of fluorescence, with discrete molecular entities emitting a stream of single photons. We address the question of how large a molecular object may become by growing deterministic aggregates from single conjugated polymer chains. Even particles containing dozens of individual chains still behave as single quantum emitters due to efficient excitation energy transfer, whereas the brightness is raised due to the increased absorption cross-section of the suprastructure. Excitation energy can delocalize between individual polymer chromophores in these aggregates by both coherent and incoherent coupling, which are differentiated by their distinct spectroscopic fingerprints. Coherent coupling is identified by a 10-fold increase in excited-state lifetime and a corresponding spectral red shift. Exciton quenching due to incoherent FRET becomes more significant as aggregate size increases, resulting in single-aggregate emission characterized by strong blinking. This mesoscale approach allows us to identify intermolecular interactions which do not exist in isolated chains and are inaccessible in bulk films where they are present but masked by disorder. PMID:26417079

  12. Entrepreneurs, chance, and the deterministic concentration of wealth.

    PubMed

    Fargione, Joseph E; Lehman, Clarence; Polasky, Stephen

    2011-01-01

    In many economies, wealth is strikingly concentrated. Entrepreneurs--individuals with ownership in for-profit enterprises--comprise a large portion of the wealthiest individuals, and their behavior may help explain patterns in the national distribution of wealth. Entrepreneurs are less diversified and more heavily invested in their own companies than is commonly assumed in economic models. We present an intentionally simplified individual-based model of wealth generation among entrepreneurs to assess the role of chance and determinism in the distribution of wealth. We demonstrate that chance alone, combined with the deterministic effects of compounding returns, can lead to unlimited concentration of wealth, such that the percentage of all wealth owned by a few entrepreneurs eventually approaches 100%. Specifically, concentration of wealth results when the rate of return on investment varies by entrepreneur and by time. This result is robust to inclusion of realities such as differing skill among entrepreneurs. The most likely overall growth rate of the economy decreases as businesses become less diverse, suggesting that high concentrations of wealth may adversely affect a country's economic growth. We show that a tax on large inherited fortunes, applied to a small portion of the most fortunate in the population, can efficiently arrest the concentration of wealth at intermediate levels.

  13. Deterministic versus evidence-based attitude towards clinical diagnosis.

    PubMed

    Soltani, Akbar; Moayyeri, Alireza

    2007-08-01

    Generally, two basic classes have been proposed for scientific explanation of events. Deductive reasoning emphasizes on reaching conclusions about a hypothesis based on verification of universal laws pertinent to that hypothesis, while inductive or probabilistic reasoning explains an event by calculation of some probabilities for that event to be related to a given hypothesis. Although both types of reasoning are used in clinical practice, evidence-based medicine stresses on the advantages of the second approach for most instances in medical decision making. While 'probabilistic or evidence-based' reasoning seems to involve more mathematical formulas at the first look, this attitude is more dynamic and less imprisoned by the rigidity of mathematics comparing with 'deterministic or mathematical attitude'. In the field of medical diagnosis, appreciation of uncertainty in clinical encounters and utilization of likelihood ratio as measure of accuracy seem to be the most important characteristics of evidence-based doctors. Other characteristics include use of series of tests for refining probability, changing diagnostic thresholds considering external evidences and nature of the disease, and attention to confidence intervals to estimate uncertainty of research-derived parameters.

  14. The dynamical system of weathering: deterministic and stochastic analysis

    NASA Astrophysics Data System (ADS)

    Calabrese, S.; Parolari, A.; Porporato, A. M.

    2016-12-01

    The critical zone is fundamental to human society as it provides most of the ecosystem services such as food and fresh water. However, climate change and intense land use are threatening the critical zone, so that theoretical frameworks, to predict its future response, are needed. In this talk, a new modeling approach to evaluate the effect of hydrologic fluctuations on soil water chemistry and weathering reactions is analyzed by means of a dynamical system approach. In this model, equilibrium is assumed for the aqueous carbonate system while a kinetic law is adopted for the weathering reaction. Also, through an algebraic manipulation, we eliminate the equilibrium reactions and reduce the order of the system. We first analyze the deterministic temporal evolution, and study the stability of the nonlinear system and its trajectories, as a function of the hydro-climatic parameters. By introducing a stochastic rainfall forcing, we then analyze the system probabilistically, and through averaging techniques determine the inter-annual response of the nonlinear stochastic system to the climatic regime and hydrologic parameters (e.g., ET, soil texture). Some fundamental thermodynamic aspects of the chemical reactions are also discussed. By introducing the weathering reaction into the system, any mineral, such as calcium carbonate or a silicate mineral, can be considered.

  15. Non-Deterministic Modelling of Food-Web Dynamics

    PubMed Central

    Planque, Benjamin; Lindstrøm, Ulf; Subbey, Sam

    2014-01-01

    A novel approach to model food-web dynamics, based on a combination of chance (randomness) and necessity (system constraints), was presented by Mullon et al. in 2009. Based on simulations for the Benguela ecosystem, they concluded that observed patterns of ecosystem variability may simply result from basic structural constraints within which the ecosystem functions. To date, and despite the importance of these conclusions, this work has received little attention. The objective of the present paper is to replicate this original model and evaluate the conclusions that were derived from its simulations. For this purpose, we revisit the equations and input parameters that form the structure of the original model and implement a comparable simulation model. We restate the model principles and provide a detailed account of the model structure, equations, and parameters. Our model can reproduce several ecosystem dynamic patterns: pseudo-cycles, variation and volatility, diet, stock-recruitment relationships, and correlations between species biomass series. The original conclusions are supported to a large extent by the current replication of the model. Model parameterisation and computational aspects remain difficult and these need to be investigated further. Hopefully, the present contribution will make this approach available to a larger research community and will promote the use of non-deterministic-network-dynamics models as ‘null models of food-webs’ as originally advocated. PMID:25299245

  16. Experimental evidence for deterministic chaos in thermal pulse combustion

    SciTech Connect

    Daw, C.S.; Thomas, J.F.; Richards, G.A.; Narayanaswami, L.L.

    1994-12-31

    Given the existence of chaotic oscillations in reacting chemical systems, it is reasonable to ask whether or not similar phenomena can occur in combustion. In this paper, the authors present experimental evidence that kinetically driven chaos occurs in a highly simplified thermal pulse combustor. The combustor is a well-stirred reactor with a tailpipe extending from one end. Fuel and air are injected into the combustion chamber through orifices in the end opposite the tailpipe. Propane with the fuel used in all cases. From the experimental data analyses, it is clear that deterministic chaos is an important factor in thermal pulse combustor dynamics. While the authors have only observed such behavior in this particular type combustor to date, they infer from their understanding of the origins of the chaos that it is likely to exist in other pulse combustors and even nonpulsing combustion. They speculate that realization of the importance of chaos in affecting flame stability could lead to significant changes in combustor design and control.

  17. Entrepreneurs, Chance, and the Deterministic Concentration of Wealth

    PubMed Central

    Fargione, Joseph E.; Lehman, Clarence; Polasky, Stephen

    2011-01-01

    In many economies, wealth is strikingly concentrated. Entrepreneurs–individuals with ownership in for-profit enterprises–comprise a large portion of the wealthiest individuals, and their behavior may help explain patterns in the national distribution of wealth. Entrepreneurs are less diversified and more heavily invested in their own companies than is commonly assumed in economic models. We present an intentionally simplified individual-based model of wealth generation among entrepreneurs to assess the role of chance and determinism in the distribution of wealth. We demonstrate that chance alone, combined with the deterministic effects of compounding returns, can lead to unlimited concentration of wealth, such that the percentage of all wealth owned by a few entrepreneurs eventually approaches 100%. Specifically, concentration of wealth results when the rate of return on investment varies by entrepreneur and by time. This result is robust to inclusion of realities such as differing skill among entrepreneurs. The most likely overall growth rate of the economy decreases as businesses become less diverse, suggesting that high concentrations of wealth may adversely affect a country's economic growth. We show that a tax on large inherited fortunes, applied to a small portion of the most fortunate in the population, can efficiently arrest the concentration of wealth at intermediate levels. PMID:21814540

  18. A deterministic method for transient, three-dimensional neutron transport

    NASA Astrophysics Data System (ADS)

    Goluoglu, Sedat

    A deterministic method for solving the time-dependent, three-dimensional Boltzmann transport equation with explicit representation of delayed neutrons has been developed and evaluated. The methodology used in this study for the time variable is the improved quasi-static (IQS) method. The position, energy, and angle variables of the neutron flux are computed using the three-dimensional (3-D) discrete ordinates code TORT. The resulting time-dependent, 3-D code is called TDTORT. The flux shape calculated by TORT is used to compute the point kinetics parameters (e.g., reactivity, generation time, etc.). The amplitude function is calculated by solving the point kinetics equations using LSODE (Livermore Solver of Ordinary differential Equations). Several transient 1-D, 2-D, and 3-D benchmark problems are used to verify TDTORT. The results show that methodology and code developed in this work have sufficient accuracy and speed to serve as a benchmarking tool for other less accurate models and codes. More importantly, a new computational tool based on transport theory now exists for analyzing the dynamic behavior of complex neutronic systems.

  19. Insights into the deterministic skill of air quality ensembles ...

    EPA Pesticide Factsheets

    Simulations from chemical weather models are subject to uncertainties in the input data (e.g. emission inventory, initial and boundary conditions) as well as those intrinsic to the model (e.g. physical parameterization, chemical mechanism). Multi-model ensembles can improve the forecast skill, provided that certain mathematical conditions are fulfilled. In this work, four ensemble methods were applied to two different datasets, and their performance was compared for ozone (O3), nitrogen dioxide (NO2) and particulate matter (PM10). Apart from the unconditional ensemble average, the approach behind the other three methods relies on adding optimum weights to members or constraining the ensemble to those members that meet certain conditions in time or frequency domain. The two different datasets were created for the first and second phase of the Air Quality Model Evaluation International Initiative (AQMEII). The methods are evaluated against ground level observations collected from the EMEP (European Monitoring and Evaluation Programme) and AirBase databases. The goal of the study is to quantify to what extent we can extract predictable signals from an ensemble with superior skill over the single models and the ensemble mean. Verification statistics show that the deterministic models simulate better O3 than NO2 and PM10, linked to different levels of complexity in the represented processes. The unconditional ensemble mean achieves higher skill compared to each stati

  20. Deterministic quantum nonlinear optics with single atoms and virtual photons

    NASA Astrophysics Data System (ADS)

    Kockum, Anton Frisk; Miranowicz, Adam; Macrı, Vincenzo; Savasta, Salvatore; Nori, Franco

    2017-06-01

    We show how analogs of a large number of well-known nonlinear-optics phenomena can be realized with one or more two-level atoms coupled to one or more resonator modes. Through higher-order processes, where virtual photons are created and annihilated, an effective deterministic coupling between two states of such a system can be created. In this way, analogs of three-wave mixing, four-wave mixing, higher-harmonic and -subharmonic generation (i.e., up- and down-conversion), multiphoton absorption, parametric amplification, Raman and hyper-Raman scattering, the Kerr effect, and other nonlinear processes can be realized. In contrast to most conventional implementations of nonlinear optics, these analogs can reach unit efficiency, only use a minimal number of photons (they do not require any strong external drive), and do not require more than two atomic levels. The strength of the effective coupling in our proposed setups becomes weaker the more intermediate transition steps are needed. However, given the recent experimental progress in ultrastrong light-matter coupling and improvement of coherence times for engineered quantum systems, especially in the field of circuit quantum electrodynamics, we estimate that many of these nonlinear-optics analogs can be realized with currently available technology.

  1. Rapid detection of small oscillation faults via deterministic learning.

    PubMed

    Wang, Cong; Chen, Tianrui

    2011-08-01

    Detection of small faults is one of the most important and challenging tasks in the area of fault diagnosis. In this paper, we present an approach for the rapid detection of small oscillation faults based on a recently proposed deterministic learning (DL) theory. The approach consists of two phases: the training phase and the test phase. In the training phase, the system dynamics underlying normal and fault oscillations are locally accurately approximated through DL. The obtained knowledge of system dynamics is stored in constant radial basis function (RBF) networks. In the diagnosis phase, rapid detection is implemented. Specially, a bank of estimators are constructed using the constant RBF neural networks to represent the training normal and fault modes. By comparing the set of estimators with the test monitored system, a set of residuals are generated, and the average L(1) norms of the residuals are taken as the measure of the differences between the dynamics of the monitored system and the dynamics of the training normal mode and oscillation faults. The occurrence of a test oscillation fault can be rapidly detected according to the smallest residual principle. A rigorous analysis of the performance of the detection scheme is also given. The novelty of the paper lies in that the modeling uncertainty and nonlinear fault functions are accurately approximated and then the knowledge is utilized to achieve rapid detection of small oscillation faults. Simulation studies are included to demonstrate the effectiveness of the approach.

  2. Estimating interdependences in networks of weakly coupled deterministic systems

    NASA Astrophysics Data System (ADS)

    de Feo, Oscar; Carmeli, Cristian

    2008-02-01

    The extraction of information from measured data about the interactions taking place in a network of systems is a key topic in modern applied sciences. This topic has been traditionally addressed by considering bivariate time series, providing methods which are sometimes difficult to extend to multivariate data, the limiting factor being the computational complexity. Here, we present a computationally viable method based on black-box modeling which, while theoretically applicable only when a deterministic hypothesis about the processes behind the recordings is plausible, proves to work also when this assumption is severely affected. Conceptually, the method is very simple and is composed of three independent steps: in the first step a state-space reconstruction is performed separately on each measured signal; in the second step, a local model, i.e., a nonlinear dynamical system, is fitted separately on each (reconstructed) measured signal; afterward, a linear model of the dynamical interactions is obtained by cross-relating the (reconstructed) measured variables to the dynamics unexplained by the local models. The method is successfully validated on numerically generated data. An assessment of its sensitivity to data length and modeling and measurement noise intensity, and of its applicability to large-scale systems, is also provided.

  3. Agent-Based Deterministic Modeling of the Bone Marrow Homeostasis

    PubMed Central

    2016-01-01

    Modeling of stem cells not only describes but also predicts how a stem cell's environment can control its fate. The first stem cell populations discovered were hematopoietic stem cells (HSCs). In this paper, we present a deterministic model of bone marrow (that hosts HSCs) that is consistent with several of the qualitative biological observations. This model incorporates stem cell death (apoptosis) after a certain number of cell divisions and also demonstrates that a single HSC can potentially populate the entire bone marrow. It also demonstrates that there is a production of sufficient number of differentiated cells (RBCs, WBCs, etc.). We prove that our model of bone marrow is biologically consistent and it overcomes the biological feasibility limitations of previously reported models. The major contribution of our model is the flexibility it allows in choosing model parameters which permits several different simulations to be carried out in silico without affecting the homeostatic properties of the model. We have also performed agent-based simulation of the model of bone marrow system proposed in this paper. We have also included parameter details and the results obtained from the simulation. The program of the agent-based simulation of the proposed model is made available on a publicly accessible website. PMID:27340402

  4. Method to deterministically study photonic nanostructures in different experimental instruments.

    PubMed

    Husken, B H; Woldering, L A; Blum, C; Vos, W L

    2009-01-01

    We describe an experimental method to recover a single, deterministically fabricated nanostructure in various experimental instruments without the use of artificially fabricated markers, with the aim to study photonic structures. Therefore, a detailed map of the spatial surroundings of the nanostructure is made during the fabrication of the structure. These maps are made using a series of micrographs with successively decreasing magnifications. The graphs reveal intrinsic and characteristic geometric features that can subsequently be used in different setups to act as markers. As an illustration, we probe surface cavities with radii of 65 nm on a silica opal photonic crystal with various setups: a focused ion beam workstation; a scanning electron microscope (SEM); a wide field optical microscope and a confocal microscope. We use cross-correlation techniques to recover a small area imaged with the SEM in a large area photographed with the optical microscope, which provides a possible avenue to automatic searching. We show how both structural and optical reflectivity data can be obtained from one and the same nanostructure. Since our approach does not use artificial grids or markers, it is of particular interest for samples whose structure is not known a priori, like samples created solely by self-assembly. In addition, our method is not restricted to conducting samples.

  5. Agent-Based Deterministic Modeling of the Bone Marrow Homeostasis.

    PubMed

    Kurhekar, Manish; Deshpande, Umesh

    2016-01-01

    Modeling of stem cells not only describes but also predicts how a stem cell's environment can control its fate. The first stem cell populations discovered were hematopoietic stem cells (HSCs). In this paper, we present a deterministic model of bone marrow (that hosts HSCs) that is consistent with several of the qualitative biological observations. This model incorporates stem cell death (apoptosis) after a certain number of cell divisions and also demonstrates that a single HSC can potentially populate the entire bone marrow. It also demonstrates that there is a production of sufficient number of differentiated cells (RBCs, WBCs, etc.). We prove that our model of bone marrow is biologically consistent and it overcomes the biological feasibility limitations of previously reported models. The major contribution of our model is the flexibility it allows in choosing model parameters which permits several different simulations to be carried out in silico without affecting the homeostatic properties of the model. We have also performed agent-based simulation of the model of bone marrow system proposed in this paper. We have also included parameter details and the results obtained from the simulation. The program of the agent-based simulation of the proposed model is made available on a publicly accessible website.

  6. Deterministic methods for multi-control fuel loading optimization

    NASA Astrophysics Data System (ADS)

    Rahman, Fariz B. Abdul

    We have developed a multi-control fuel loading optimization code for pressurized water reactors based on deterministic methods. The objective is to flatten the fuel burnup profile, which maximizes overall energy production. The optimal control problem is formulated using the method of Lagrange multipliers and the direct adjoining approach for treatment of the inequality power peaking constraint. The optimality conditions are derived for a multi-dimensional multi-group optimal control problem via calculus of variations. Due to the Hamiltonian having a linear control, our optimal control problem is solved using the gradient method to minimize the Hamiltonian and a Newton step formulation to obtain the optimal control. We are able to satisfy the power peaking constraint during depletion with the control at beginning of cycle (BOC) by building the proper burnup path forward in time and utilizing the adjoint burnup to propagate the information back to the BOC. Our test results show that we are able to achieve our objective and satisfy the power peaking constraint during depletion using either the fissile enrichment or burnable poison as the control. Our fuel loading designs show an increase of 7.8 equivalent full power days (EFPDs) in cycle length compared with 517.4 EFPDs for the AP600 first cycle.

  7. Automated optimum design of wing structures. Deterministic and probabilistic approaches

    NASA Technical Reports Server (NTRS)

    Rao, S. S.

    1982-01-01

    The automated optimum design of airplane wing structures subjected to multiple behavior constraints is described. The structural mass of the wing is considered the objective function. The maximum stress, wing tip deflection, root angle of attack, and flutter velocity during the pull up maneuver (static load), the natural frequencies of the wing structure, and the stresses induced in the wing structure due to landing and gust loads are suitably constrained. Both deterministic and probabilistic approaches are used for finding the stresses induced in the airplane wing structure due to landing and gust loads. A wing design is represented by a uniform beam with a cross section in the form of a hollow symmetric double wedge. The airfoil thickness and chord length are the design variables, and a graphical procedure is used to find the optimum solutions. A supersonic wing design is represented by finite elements. The thicknesses of the skin and the web and the cross sectional areas of the flanges are the design variables, and nonlinear programming techniques are used to find the optimum solution.

  8. Efficient Deterministic Finite Automata Minimization Based on Backward Depth Information

    PubMed Central

    Liu, Desheng; Huang, Zhiping; Zhang, Yimeng; Guo, Xiaojun; Su, Shaojing

    2016-01-01

    Obtaining a minimal automaton is a fundamental issue in the theory and practical implementation of deterministic finite automatons (DFAs). A minimization algorithm is presented in this paper that consists of two main phases. In the first phase, the backward depth information is built, and the state set of the DFA is partitioned into many blocks. In the second phase, the state set is refined using a hash table. The minimization algorithm has a lower time complexity O(n) than a naive comparison of transitions O(n2). Few states need to be refined by the hash table, because most states have been partitioned by the backward depth information in the coarse partition. This method achieves greater generality than previous methods because building the backward depth information is independent of the topological complexity of the DFA. The proposed algorithm can be applied not only to the minimization of acyclic automata or simple cyclic automata, but also to automata with high topological complexity. Overall, the proposal has three advantages: lower time complexity, greater generality, and scalability. A comparison to Hopcroft’s algorithm demonstrates experimentally that the algorithm runs faster than traditional algorithms. PMID:27806102

  9. Chemical exchange program analysis.

    SciTech Connect

    Waffelaert, Pascale

    2007-09-01

    As part of its EMS, Sandia performs an annual environmental aspects/impacts analysis. The purpose of this analysis is to identify the environmental aspects associated with Sandia's activities, products, and services and the potential environmental impacts associated with those aspects. Division and environmental programs established objectives and targets based on the environmental aspects associated with their operations. In 2007 the most significant aspect identified was Hazardous Materials (Use and Storage). The objective for Hazardous Materials (Use and Storage) was to improve chemical handling, storage, and on-site movement of hazardous materials. One of the targets supporting this objective was to develop an effective chemical exchange program, making a business case for it in FY07, and fully implementing a comprehensive chemical exchange program in FY08. A Chemical Exchange Program (CEP) team was formed to implement this target. The team consists of representatives from the Chemical Information System (CIS), Pollution Prevention (P2), the HWMF, Procurement and the Environmental Management System (EMS). The CEP Team performed benchmarking and conducted a life-cycle analysis of the current management of chemicals at SNL/NM and compared it to Chemical Exchange alternatives. Those alternatives are as follows: (1) Revive the 'Virtual' Chemical Exchange Program; (2) Re-implement a 'Physical' Chemical Exchange Program using a Chemical Information System; and (3) Transition to a Chemical Management Services System. The analysis and benchmarking study shows that the present management of chemicals at SNL/NM is significantly disjointed and a life-cycle or 'Cradle-to-Grave' approach to chemical management is needed. This approach must consider the purchasing and maintenance costs as well as the cost of ultimate disposal of the chemicals and materials. A chemical exchange is needed as a mechanism to re-apply chemicals on site. This will not only reduce the quantity of

  10. Stochastic model of tumor-induced angiogenesis: Ensemble averages and deterministic equations

    NASA Astrophysics Data System (ADS)

    Terragni, F.; Carretero, M.; Capasso, V.; Bonilla, L. L.

    2016-02-01

    A recent conceptual model of tumor-driven angiogenesis including branching, elongation, and anastomosis of blood vessels captures some of the intrinsic multiscale structures of this complex system, yet allowing one to extract a deterministic integro-partial-differential description of the vessel tip density [Phys. Rev. E 90, 062716 (2014), 10.1103/PhysRevE.90.062716]. Here we solve the stochastic model, show that ensemble averages over many realizations correspond to the deterministic equations, and fit the anastomosis rate coefficient so that the total number of vessel tips evolves similarly in the deterministic and ensemble-averaged stochastic descriptions.

  11. Hybrid Monte Carlo-Deterministic Methods for Nuclear Reactor-Related Criticality Calculations

    SciTech Connect

    Edward W. Larson

    2004-02-17

    The overall goal of this project is to develop, implement, and test new Hybrid Monte Carlo-deterministic (or simply Hybrid) methods for the more efficient and more accurate calculation of nuclear engineering criticality problems. These new methods will make use of two (philosophically and practically) very different techniques - the Monte Carlo technique, and the deterministic technique - which have been developed completely independently during the past 50 years. The concept of this proposal is to merge these two approaches and develop fundamentally new computational techniques that enhance the strengths of the individual Monte Carlo and deterministic approaches, while minimizing their weaknesses.

  12. Generality of Deterministic Chaos, Exponential Spectra, and Lorentzian Pulses in Magnetically Confined Plasmas

    NASA Astrophysics Data System (ADS)

    Maggs, J. E.; Morales, G. J.

    2011-10-01

    The dynamics of transport at the edge of magnetized plasmas is deterministic chaos. The connection is made by a previous survey [M. A. Pedrosa , Phys. Rev. Lett. 82, 3621 (1999)PRLTAO0031-900710.1103/PhysRevLett.82.3621] of measurements of fluctuations that is shown to exhibit power spectra with exponential frequency dependence over a broad range, which is the signature of deterministic chaos. The exponential character arises from Lorentzian pulses. The results suggest that the generalization to complex times used in studies of deterministic chaos is a representation of Lorentzian pulses emerging from the chaotic dynamics.

  13. Region-specific deterministic and probabilistic seismic hazard analysis of Kanpur city

    NASA Astrophysics Data System (ADS)

    P, Anbazhagan; Bajaj, Ketan; Dutta, Nairwita; R Moustafa, Sayed S.; N Al-Arifi, Nassir S.

    2017-02-01

    A seismic hazard map of Kanpur city has been developed considering the region-specific seismotectonic parameters within a 500-km radius by deterministic and probabilistic approaches. The maximum probable earthquake magnitude ( M max) for each seismic source has been estimated by considering the regional rupture characteristics method and has been compared with the maximum magnitude observed ({M_{max }^{ {obs}}} ), M_{max }^{ {obs}} +0.5 and Kijko method. The best suitable ground motion prediction equations (GMPE) were selected from 27 applicable GMPEs based on the `efficacy test'. Furthermore, different weight factors were assigned to different M max values and the selected GMPE to calculate the final hazard value. Peak ground acceleration and spectral acceleration at 0.2 and 1 s were estimated and mapped for worst-case scenario and 2 and 10% probability of exceedance for 50 years. Peak ground acceleration (PGA) showed a variation from 0.04 to 0.36 g for DSHA, from 0.02 to 0.32 g and 0.092 to 0.1525 g for 2 and 10% probability in 50 years, respectively. A normalised site-specific design spectrum has been developed considering three vulnerable sources based on deaggregation at the city center and the results are compared with the recent 2011 Sikkim and 2015 Nepal earthquakes, and the Indian seismic code IS 1893.

  14. Lévy-like behaviour in deterministic models of intelligent agents exploring heterogeneous environments

    NASA Astrophysics Data System (ADS)

    Boyer, D.; Miramontes, O.; Larralde, H.

    2009-10-01

    Many studies on animal and human movement patterns report the existence of scaling laws and power-law distributions. Whereas a number of random walk models have been proposed to explain observations, in many situations individuals actually rely on mental maps to explore strongly heterogeneous environments. In this work, we study a model of a deterministic walker, visiting sites randomly distributed on the plane and with varying weight or attractiveness. At each step, the walker minimizes a function that depends on the distance to the next unvisited target (cost) and on the weight of that target (gain). If the target weight distribution is a power law, p(k) ~ k-β, in some range of the exponent β, the foraging medium induces movements that are similar to Lévy flights and are characterized by non-trivial exponents. We explore variations of the choice rule in order to test the robustness of the model and argue that the addition of noise has a limited impact on the dynamics in strongly disordered media.

  15. Self-aligned deterministic coupling of single quantum emitter to nanofocused plasmonic modes.

    PubMed

    Gong, Su-Hyun; Kim, Je-Hyung; Ko, Young-Ho; Rodriguez, Christophe; Shin, Jonghwa; Lee, Yong-Hee; Dang, Le Si; Zhang, Xiang; Cho, Yong-Hoon

    2015-04-28

    The quantum plasmonics field has emerged and been growing increasingly, including study of single emitter-light coupling using plasmonic system and scalable quantum plasmonic circuit. This offers opportunity for the quantum control of light with compact device footprint. However, coupling of a single emitter to highly localized plasmonic mode with nanoscale precision remains an important challenge. Today, the spatial overlap between metallic structure and single emitter mostly relies either on chance or on advanced nanopositioning control. Here, we demonstrate deterministic coupling between three-dimensionally nanofocused plasmonic modes and single quantum dots (QDs) without any positioning for single QDs. By depositing a thin silver layer on a site-controlled pyramid QD wafer, three-dimensional plasmonic nanofocusing on each QD at the pyramid apex is geometrically achieved through the silver-coated pyramid facets. Enhancement of the QD spontaneous emission rate as high as 22 ± 16 is measured for all processed QDs emitting over ∼150-meV spectral range. This approach could apply to high fabrication yield on-chip devices for wide application fields, e.g., high-efficiency light-emitting devices and quantum information processing.

  16. Self-aligned deterministic coupling of single quantum emitter to nanofocused plasmonic modes

    PubMed Central

    Gong, Su-Hyun; Kim, Je-Hyung; Ko, Young-Ho; Rodriguez, Christophe; Shin, Jonghwa; Lee, Yong-Hee; Dang, Le Si; Zhang, Xiang; Cho, Yong-Hoon

    2015-01-01

    The quantum plasmonics field has emerged and been growing increasingly, including study of single emitter–light coupling using plasmonic system and scalable quantum plasmonic circuit. This offers opportunity for the quantum control of light with compact device footprint. However, coupling of a single emitter to highly localized plasmonic mode with nanoscale precision remains an important challenge. Today, the spatial overlap between metallic structure and single emitter mostly relies either on chance or on advanced nanopositioning control. Here, we demonstrate deterministic coupling between three-dimensionally nanofocused plasmonic modes and single quantum dots (QDs) without any positioning for single QDs. By depositing a thin silver layer on a site-controlled pyramid QD wafer, three-dimensional plasmonic nanofocusing on each QD at the pyramid apex is geometrically achieved through the silver-coated pyramid facets. Enhancement of the QD spontaneous emission rate as high as 22 ± 16 is measured for all processed QDs emitting over ∼150-meV spectral range. This approach could apply to high fabrication yield on-chip devices for wide application fields, e.g., high-efficiency light-emitting devices and quantum information processing. PMID:25870303

  17. Application of dynamic linear regression to improve the skill of ensemble-based deterministic ozone forecasts

    SciTech Connect

    Pagowski, M O; Grell, G A; Devenyi, D; Peckham, S E; McKeen, S A; Gong, W; Monache, L D; McHenry, J N; McQueen, J; Lee, P

    2006-02-02

    Forecasts from seven air quality models and surface ozone data collected over the eastern USA and southern Canada during July and August 2004 provide a unique opportunity to assess benefits of ensemble-based ozone forecasting and devise methods to improve ozone forecasts. In this investigation, past forecasts from the ensemble of models and hourly surface ozone measurements at over 350 sites are used to issue deterministic 24-h forecasts using a method based on dynamic linear regression. Forecasts of hourly ozone concentrations as well as maximum daily 8-h and 1-h averaged concentrations are considered. It is shown that the forecasts issued with the application of this method have reduced bias and root mean square error and better overall performance scores than any of the ensemble members and the ensemble average. Performance of the method is similar to another method based on linear regression described previously by Pagowski et al., but unlike the latter, the current method does not require measurements from multiple monitors since it operates on individual time series. Improvement in the forecasts can be easily implemented and requires minimal computational cost.

  18. Broadband seismic monitoring of active volcanoes using deterministic and stochastic approaches

    NASA Astrophysics Data System (ADS)

    Kumagai, H.; Nakano, M.; Maeda, T.; Yepes, H.; Palacios, P.; Ruiz, M. C.; Arrais, S.; Vaca, M.; Molina, I.; Yamashina, T.

    2009-12-01

    We systematically used two approaches to analyze broadband seismic signals observed at active volcanoes: one is waveform inversion of very-long-period (VLP) signals in the frequency domain assuming possible source mechanisms; the other is a source location method of long-period (LP) and tremor using their amplitudes. The deterministic approach of the waveform inversion is useful to constrain the source mechanism and location, but is basically only applicable to VLP signals with periods longer than a few seconds. The source location method uses seismic amplitudes corrected for site amplifications and assumes isotropic radiation of S waves. This assumption of isotropic radiation is apparently inconsistent with the hypothesis of crack geometry at the LP source. Using the source location method, we estimated the best-fit source location of a VLP/LP event at Cotopaxi using a frequency band of 7-12 Hz and Q = 60. This location was close to the best-fit source location determined by waveform inversion of the VLP/LP event using a VLP band of 5-12.5 s. The waveform inversion indicated that a crack mechanism better explained the VLP signals than an isotropic mechanism. These results indicated that isotropic radiation is not inherent to the source and only appears at high frequencies. We also obtained a best-fit location of an explosion event at Tungurahua when using a frequency band of 5-10 Hz and Q = 60. This frequency band and Q value also yielded reasonable locations for the sources of tremor signals associated with lahars and pyroclastic flows at Tungurahua. The isotropic radiation assumption may be valid in a high frequency range in which the path effect caused by the scattering of seismic waves results in an isotropic radiation pattern of S waves. The source location method may be categorized as a stochastic approach based on the nature of scattering waves. We further applied the waveform inversion to VLP signals observed at only two stations during a volcanic crisis

  19. Insights into the deterministic skill of air quality ensembles from the analysis of AQMEII data

    NASA Astrophysics Data System (ADS)

    Kioutsioukis, Ioannis; Im, Ulas; Solazzo, Efisio; Bianconi, Roberto; Badia, Alba; Balzarini, Alessandra; Baró, Rocío; Bellasio, Roberto; Brunner, Dominik; Chemel, Charles; Curci, Gabriele; Denier van der Gon, Hugo; Flemming, Johannes; Forkel, Renate; Giordano, Lea; Jiménez-Guerrero, Pedro; Hirtl, Marcus; Jorba, Oriol; Manders-Groot, Astrid; Neal, Lucy; Pérez, Juan L.; Pirovano, Guidio; San Jose, Roberto; Savage, Nicholas; Schroder, Wolfram; Sokhi, Ranjeet S.; Syrakov, Dimiter; Tuccella, Paolo; Werhahn, Johannes; Wolke, Ralf; Hogrefe, Christian; Galmarini, Stefano

    2016-12-01

    Simulations from chemical weather models are subject to uncertainties in the input data (e.g. emission inventory, initial and boundary conditions) as well as those intrinsic to the model (e.g. physical parameterization, chemical mechanism). Multi-model ensembles can improve the forecast skill, provided that certain mathematical conditions are fulfilled. In this work, four ensemble methods were applied to two different datasets, and their performance was compared for ozone (O3), nitrogen dioxide (NO2) and particulate matter (PM10). Apart from the unconditional ensemble average, the approach behind the other three methods relies on adding optimum weights to members or constraining the ensemble to those members that meet certain conditions in time or frequency domain. The two different datasets were created for the first and second phase of the Air Quality Model Evaluation International Initiative (AQMEII). The methods are evaluated against ground level observations collected from the EMEP (European Monitoring and Evaluation Programme) and AirBase databases. The goal of the study is to quantify to what extent we can extract predictable signals from an ensemble with superior skill over the single models and the ensemble mean. Verification statistics show that the deterministic models simulate better O3 than NO2 and PM10, linked to different levels of complexity in the represented processes. The unconditional ensemble mean achieves higher skill compared to each station's best deterministic model at no more than 60 % of the sites, indicating a combination of members with unbalanced skill difference and error dependence for the rest. The promotion of the right amount of accuracy and diversity within the ensemble results in an average additional skill of up to 31 % compared to using the full ensemble in an unconditional way. The skill improvements were higher for O3 and lower for PM10, associated with the extent of potential changes in the joint distribution of accuracy

  20. Parkinson's disease classification using gait analysis via deterministic learning.

    PubMed

    Zeng, Wei; Liu, Fenglin; Wang, Qinghui; Wang, Ying; Ma, Limin; Zhang, Yu

    2016-10-28

    Gait analysis plays an important role in maintaining the well-being of human mobility and health care, and is a valuable tool for obtaining quantitative information on motor deficits in Parkinson's disease (PD). In this paper, we propose a method to classify (diagnose) patients with PD and healthy control subjects using gait analysis via deterministic learning theory. The classification approach consists of two phases: a training phase and a classification phase. In the training phase, gait characteristics represented by the gait dynamics are derived from the vertical ground reaction forces under the usual and self-selected paces of the subjects. The gait dynamics underlying gait patterns of healthy controls and PD patients are locally accurately approximated by radial basis function (RBF) neural networks. The obtained knowledge of approximated gait dynamics is stored in constant RBF networks. The gait patterns of healthy controls and PD patients constitute a training set. In the classification phase, a bank of dynamical estimators is constructed for all the training gait patterns. Prior knowledge of gait dynamics represented by the constant RBF networks is embedded in the estimators. By comparing the set of estimators with a test gait pattern of a certain PD patient to be classified (diagnosed), a set of classification errors are generated. The average L1 norms of the errors are taken as the classification measure between the dynamics of the training gait patterns and the dynamics of the test PD gait pattern according to the smallest error principle. When the gait patterns of 93 PD patients and 73 healthy controls are classified with five-fold cross-validation method, the accuracy, sensitivity and specificity of the results are 96.39%, 96.77% and 95.89%, respectively. Based on the results, it may be claimed that the features and the classifiers used in the present study could effectively separate the gait patterns between the groups of PD patients and healthy