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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. Environmental indifference? A critique of environmentally deterministic theories of peatland archaeological site construction in Ireland

    NASA Astrophysics Data System (ADS)

    Plunkett, G.; McDermott, C.; Swindles, G. T.; Brown, D. M.

    2013-02-01

    Climate change, whether gradual or sudden, has frequently been invoked as a causal factor to explain many aspects of cultural change during the prehistoric and early historic periods. Critiquing such theories has often proven difficult, not least because of the imprecise dating of many aspects of the palaeoclimate or archaeological records and the difficulties of merging the two strands of research. Here we consider one example of the archaeological record - peatland site construction in Ireland - which has previously been interpreted in terms of social response to climate change and examine whether close scrutiny of the archaeological and palaeoenvironmental records upholds the climatically deterministic hypotheses. We evaluate evidence for phasing in the temporal distribution of trackways and related sites in Irish peatlands, of which more than 3500 examples have been recorded, through the examination of ˜350 dendrochronological and 14C dates from these structures. The role of climate change in influencing when such sites were constructed is assessed by comparing visually and statistically the frequency of sites over the last 4500 years with well-dated, multiproxy climate reconstructions from Irish peatlands. We demonstrate that national patterns of “peatland activity” exist that indicate that the construction of sites in bogs was neither a constant nor random phenomenon. Phases of activity (i.e. periods in which the number of structures increased), as well as the ‘lulls’ that separate them, show no consistent correlation with periods of wetter or drier conditions on the bogs, suggesting that the impetus for the start or cessation of such activity was not climatically-determined. We propose that trigger(s) for peatland site construction in Ireland must instead also be sought within the wider, contemporary social background. Perhaps not surprisingly, a comparison with archaeological and palynological evidence shows that peatland activity tends to occur at

  3. 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

  4. 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

  5. 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

  6. Two-site exchange revisited: a new method for extracting exchange parameters in biological systems.

    PubMed Central

    Mulkern, R V; Bleier, A R; Adzamli, I K; Spencer, R G; Sandor, T; Jolesz, F A

    1989-01-01

    A new analysis is presented which links real volume fractions, relaxation rates, and intracompartmental exchange rates directly with apparent volume fractions and relaxation rates obtained from biexponential fits of transverse magnetization decay curves. The analysis differs from previous methods in that measurements from two paramagnetic doping levels are used to close the two-site exchange equations. Both the new method and one previously described by Herbst and Goldstein (HG) have been applied to paramagnetically doped whole-blood data sets. Significant differences in the calculated exchange parameters are found between the two methods. A small dependence of the intracellular relaxation rate on extracellular paramagnetic agent concentration, assumed nonexistent with the HG method, is inferred from the new analysis. The analysis was also applied to published data on perfused rat hearts, and we obtained a limited assessment of two-site exchange in this system. PMID:2713436

  7. Exchange interactions in systems with multiple magnetic sites.

    PubMed

    Paul, Satadal; Misra, Anirban

    2010-06-24

    Nonequivalent magnetic interactions in systems with multiple magnetic centers can be explored through a proper description of exchange coupling. The magnetic exchange coupling constant (J) in systems with two magnetic sites is reliably estimated using Heisenberg-Dirac-van Vleck (HDVV) model through broken symmetry approach (BS) within a density functional theory (DFT) framework. However, in case of systems with multiple magnetic centers, exchange coupling constants, evaluated through state-of-the-art techniques, are often found to be inadequate to produce a correct fingerprint of the nature of magnetic interactions therein. This work suggests a new scheme to estimate exchange coupling constants in such systems. In this strategy, distribution of spins on magnetic sites in the ground state of systems with multiple magnetic centers is computed. On the basis of this spin mapping, exchange coupling constants between specific pairs are estimated through BS-DFT approach while keeping all other paramagnetic atoms magnetically inactive. Nonetheless, the effect of magnetically inert paramagnetic sites is already taken into account by the process of spin mapping, which is further justified through expressing the HDVV Hamiltonian in terms of spin density operators. We employ this technique to hypothetical benchmark systems, H(3)He(3) and H(4)He(4) followed by real molecules, cationic manganese trimer, 1,3,5-benzenetriyltris (N-tert-butyl nitroxide), and a pentanuclear manganese complex. Results are found to be concordant with the already established nature of magnetic interaction in these systems. This strategy is different from the most popular scheme to compute J in systems with multiple magnetic centers in the sense that it avoids the formation of a large matrix out of different spin configurations and thus provides a reliable and computationally economic way to address the magnetic interactions in non isotropic systems with multiple magnetic sites. PMID:20496941

  8. 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.

  9. 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.

  10. 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.

  11. 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...

  12. 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

  13. 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

  14. 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.

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

    PubMed

    Liao, Jun; Marinelli, Fabrizio; Lee, Changkeun; Huang, Yihe; Faraldo-Gómez, José D; Jiang, Youxing

    2016-06-01

    Na(+)/Ca(2+) exchangers use the Na(+) electrochemical gradient across the plasma membrane to extrude intracellular Ca(2+) and play a central role in Ca(2+) 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(+), Ca(2+) or Sr(2+) 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 3:1 Na(+)/Ca(2+)-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, thereby explaining the emergence of strictly coupled Na(+)/Ca(2+) antiport. PMID:27183196

  16. 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

  17. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... with the instructions set forth in 31 CFR part 321. The transmittals must be accompanied by appropriate... 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...

  18. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... with the instructions set forth in 31 CFR part 321. The transmittals must be accompanied by appropriate... 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...

  19. 31 CFR 330.8 - Payment or redemption-exchange by a TRS Site.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... with the instructions set forth in 31 CFR part 321. The transmittals must be accompanied by appropriate... 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...

  20. 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.

  1. Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical Exchange Spectroscopy

    PubMed Central

    Rosenfeld, Daniel E.; Kwak, Kyungwon; Gengeliczki, Zsolt

    2010-01-01

    Hydrogen bonded complexes between phenol and phenylacetylene are studied using ultrafast two-dimensional infrared (2D IR) chemical exchange spectroscopy. Phenylacetylene has two possible π 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 ∼5 ps, and is assigned to direct hydrogen bond migration along the phenylacetylene molecule. Other non-migration 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. PMID:20121275

  2. Tubulin exchanges divalent cations at both guanine nucleotide-binding sites.

    PubMed

    Correia, J J; Beth, A H; Williams, R C

    1988-08-01

    The tubulin heterodimer binds a molecule of GTP at the nonexchangeable nucleotide-binding site (N-site) and either GDP or GTP at the exchangeable nucleotide-binding site (E-site). Mg2+ is known to be tightly linked to the binding of GTP at the E-site (Correia, J. J., Baty, L. T., and Williams, R. C., Jr. (1987) J. Biol. Chem. 262, 17278-17284). Measurements of the exchange of Mn2+ for bound Mg2+ (as monitored by atomic absorption and EPR) demonstrate that tubulin which has GDP at the E-site possesses one high affinity metal-binding site and that tubulin which has GTP at the E-site possesses two such sites. The apparent association constants are 0.7-1.1 x 10(6) M-1 for Mg2+ and approximately 4.1-4.9 x 10(7) M-1 for Mn2+. Divalent cations do bind to GDP at the E-site, but with much lower affinity (2.0-2.3 x 10(3) M-1 for Mg2+ and 3.9-6.6 x 10(3) M-1 for Mn2+). These data suggest that divalent cations are involved in GTP binding to both the N- and E-sites of tubulin. The N-site metal exchanges slowly (kapp = 0.020 min-1), suggesting a mechanism involving protein "breathing" or heterodimer dissociation. The N-site metal exchange rate is independent of the concentration of protein and metal, an observation consistent with the possibility that a dynamic breathing process is the rate-limiting step. The exchange of Mn2+ for Mg2+ has no effect on the secondary structure of tubulin at 4 degrees C or on the ability of tubulin to form microtubules. These results have important consequences for the interpretation of distance measurements within the tubulin dimer using paramagnetic ions. They are also relevant to the detailed mechanism of divalent cation release from microtubules after GTP hydrolysis. PMID:3392036

  3. 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

  4. Information Exchange and Information Disclosure in Social Networking Web Sites: Mediating Role of Trust

    ERIC Educational Resources Information Center

    Mital, Monika; Israel, D.; Agarwal, Shailja

    2010-01-01

    Purpose: The purpose of this paper is to examine the mediating effect of trust on the relationship between the type of information exchange (IE) and information disclosure (ID) on social networking web sites (SNWs). Design/methodology/approach: Constructs were developed for type of IE and trust. To understand the mediating role of trust a…

  5. "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…

  6. 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

  7. 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.

  8. Deterministic hierarchical networks

    NASA Astrophysics Data System (ADS)

    Barrière, L.; Comellas, F.; Dalfó, C.; Fiol, M. A.

    2016-06-01

    It has been shown that many networks associated with complex systems are small-world (they have both a large local clustering coefficient and a small diameter) and also scale-free (the degrees are distributed according to a power law). Moreover, these networks are very often hierarchical, as they describe the modularity of the systems that are modeled. Most of the studies for complex networks are based on stochastic methods. However, a deterministic method, with an exact determination of the main relevant parameters of the networks, has proven useful. Indeed, this approach complements and enhances the probabilistic and simulation techniques and, therefore, it provides a better understanding of the modeled systems. In this paper we find the radius, diameter, clustering coefficient and degree distribution of a generic family of deterministic hierarchical small-world scale-free networks that has been considered for modeling real-life complex systems.

  9. 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

  10. Deterministic Brownian Motion

    NASA Astrophysics Data System (ADS)

    Trefan, Gyorgy

    1993-01-01

    The goal of this thesis is to contribute to the ambitious program of the foundation of developing statistical physics using chaos. We build a deterministic model of Brownian motion and provide a microscopic derivation of the Fokker-Planck equation. Since the Brownian motion of a particle is the result of the competing processes of diffusion and dissipation, we create a model where both diffusion and dissipation originate from the same deterministic mechanism--the deterministic interaction of that particle with its environment. We show that standard diffusion which is the basis of the Fokker-Planck equation rests on the Central Limit Theorem, and, consequently, on the possibility of deriving it from a deterministic process with a quickly decaying correlation function. The sensitive dependence on initial conditions, one of the defining properties of chaos insures this rapid decay. We carefully address the problem of deriving dissipation from the interaction of a particle with a fully deterministic nonlinear bath, that we term the booster. We show that the solution of this problem essentially rests on the linear response of a booster to an external perturbation. This raises a long-standing problem concerned with Kubo's Linear Response Theory and the strong criticism against it by van Kampen. Kubo's theory is based on a perturbation treatment of the Liouville equation, which, in turn, is expected to be totally equivalent to a first-order perturbation treatment of single trajectories. Since the boosters are chaotic, and chaos is essential to generate diffusion, the single trajectories are highly unstable and do not respond linearly to weak external perturbation. We adopt chaotic maps as boosters of a Brownian particle, and therefore address the problem of the response of a chaotic booster to an external perturbation. We notice that a fully chaotic map is characterized by an invariant measure which is a continuous function of the control parameters of the map

  11. Deterministic Bilinear System Identification

    NASA Astrophysics Data System (ADS)

    Lee, Cheh-Han; Juang, Jer-Nan

    2013-12-01

    A unified identification method is proposed for system realization of a deterministic continuous-time/discrete-time bilinear models from input and output measurement data. A generalized Hankel matrix is formed with the output measurements obtained by applying a set of repeated input sequences to a bilinear system. A computational procedure is developed to extract a time varying discrete-time state-space model from the generalized Hankel matrix. The bilinear system models are realized by transforming the identified time varying discrete-time model to the bilinear models. Numerical simulations are given to show the effectiveness of the proposed identification method.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. An approach estimating bidirectional air-surface exchange for gaseous elemental mercury at AMNet sites

    NASA Astrophysics Data System (ADS)

    Wright, L. Paige; Zhang, Leiming

    2015-03-01

    The bidirectional air-surface exchange for gaseous elemental mercury (GEM) and existing measurements of the compensation points over a variety of canopy types are reviewed. Deposition and emission of GEM are dependent on several factors such as the type of canopy, temperature, season, atmospheric GEM concentrations, and meteorological conditions, with compensation points varying between 0.5 and 33 ng m-3. Emissions tend to increase from the spring to summer seasons, as the GEM accumulates in the foliage of the vegetation. A strong dependence on solar radiation has been observed, with higher emissions under light conditions. A bidirectional air-surface exchange flux model is proposed for estimating GEM fluxes at a two-hourly time resolution for the National Atmospheric Deposition Program's, Atmospheric Mercury Network (AMNet) sites. Compared to the unidirectional dry deposition model used in Zhang et al. (2012), two additional parameters, stomatal and soil emission potential, were needed in the bidirectional model and were chosen based on knowledge gained in the literature review and model sensitivity test results. Application of this bidirectional model to AMNet sites have produced annual net deposition fluxes comparable to those estimated in Zhang et al. (2012) at the majority of the sites. In this study, the net GEM dry deposition has been estimated separately for each dominant land use type surrounding each site, and this approach is also recommended for future calculations for easy application of the results to assessments of the mercury effects on various ecosystems.

  18. 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.

  19. 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.

  20. An antibody binding site on cytochrome c defined by hydrogen exchange and two-dimensional NMR

    SciTech Connect

    Paterson, Y.; Englander, S.W.; Roder, H. )

    1990-08-17

    The interaction of a protein antigen, horse cytochrome c (cyt c), with a monoclonal antibody has been studied by hydrogen-deuterium (H-D) exchange labeling and two-dimensional nuclear magnetic resonance (2D NMR) methods. The H-exchange rate of residues in three discontiguous regions of the cyt c polypeptide backbone was slowed by factors up to 340-fold in the antibody-antigen complex compared with free cyt c. The protected residues, 36 to 38, 59, 60, 64 to 67, 100, and 101, and their hydrogen-bond acceptors, are brought together in the three-dimensional structure to form a contiguous, largely exposed protein surface with an area of about 750 square angstroms. The interaction site determined in this way is consistent with prior epitope mapping studies and includes several residues that were not previously identified. The hydrogen exchange labeling approach can be used to map binding sites on small proteins in antibody-antigen complexes and may be applicable to protein-protein and protein-ligand interactions in general.

  1. 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.

  2. Deterministic Switching in Bismuth Ferrite Nanoislands.

    PubMed

    Morelli, Alessio; Johann, Florian; Burns, Stuart R; Douglas, Alan; Gregg, J Marty

    2016-08-10

    We report deterministic selection of polarization variant in bismuth BiFeO3 nanoislands via a two-step scanning probe microscopy procedure. The polarization orientation in a nanoisland is toggled to the desired variant after a reset operation by scanning a conductive atomic force probe in contact over the surface while a bias is applied. The final polarization variant is determined by the direction of the inhomogeneous in-plane trailing field associated with the moving probe tip. This work provides the framework for better control of switching in rhombohedral ferroelectrics and for a deeper understanding of exchange coupling in multiferroic nanoscale heterostructures toward the realization of magnetoelectric devices. PMID:27454612

  3. Site-specific transformation of Drosophila via phiC31 integrase-mediated cassette exchange.

    PubMed

    Bateman, Jack R; Lee, Anne M; Wu, C-ting

    2006-06-01

    Position effects can complicate transgene analyses. This is especially true when comparing transgenes that have inserted randomly into different genomic positions and are therefore subject to varying position effects. Here, we introduce a method for the precise targeting of transgenic constructs to predetermined genomic sites in Drosophila using the C31 integrase system in conjunction with recombinase-mediated cassette exchange (RMCE). We demonstrate the feasibility of this system using two donor cassettes, one carrying the yellow gene and the other carrying GFP. At all four genomic sites tested, we observed exchange of donor cassettes with an integrated target cassette carrying the mini-white gene. Furthermore, because RMCE-mediated integration of the donor cassette is necessarily accompanied by loss of the target cassette, we were able to identify integrants simply by the loss of mini-white eye color. Importantly, this feature of the technology will permit integration of unmarked constructs into Drosophila, even those lacking functional genes. Thus, C31 integrase-mediated RMCE should greatly facilitate transgene analysis as well as permit new experimental designs. PMID:16547094

  4. 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.

  5. Stacking multiple transgenes at a selected genomic site via repeated recombinase-mediated DNA cassette exchanges.

    PubMed

    Li, Zhongsen; Moon, Bryan P; Xing, Aiqiu; Liu, Zhan-Bin; McCardell, Richard P; Damude, Howard G; Falco, S Carl

    2010-10-01

    Recombinase-mediated DNA cassette exchange (RMCE) has been successfully used to insert transgenes at previously characterized genomic sites in plants. Following the same strategy, groups of transgenes can be stacked to the same site through multiple rounds of RMCE. A gene-silencing cassette, designed to simultaneously silence soybean (Glycine max) genes fatty acid ω-6 desaturase 2 (FAD2) and acyl-acyl carrier protein thioesterase 2 (FATB) to improve oleic acid content, was first inserted by RMCE at a precharacterized genomic site in soybean. Selected transgenic events were subsequently retransformed with the second DNA construct containing a Yarrowia lipolytica diacylglycerol acyltransferase gene (DGAT1) to increase oil content by the enhancement of triacylglycerol biosynthesis and three other genes, a Corynebacterium glutamicum dihydrodipicolinate synthetase gene (DHPS), a barley (Hordeum vulgare) high-lysine protein gene (BHL8), and a truncated soybean cysteine synthase gene (CGS), to improve the contents of the essential amino acids lysine and methionine. Molecular characterization confirmed that the second RMCE successfully stacked the four overexpression cassettes to the previously integrated FAD2-FATB gene-silencing cassette. Phenotypic analyses indicated that all the transgenes expressed expected phenotypes. PMID:20720171

  6. Impact: a case study examining the closure of a large urban fixed site needle exchange in Canada

    PubMed Central

    2010-01-01

    Introduction In 2008, one of the oldest fixed site needle exchanges in a large urban city in Canada was closed due to community pressure. This service had been in existence for over 20 years. Case Description This case study focuses on the consequences of the switch to mobile needle exchange services immediately after the closure and examines the impact of the closure on changes in risk behavior related to drug use, needle distribution and access to services The context surrounding the closure was also examined. Discussion and Evaluation After the closure of the fixed site exchange, access to needle exchange services decreased as evidenced by the sharp decline in numbers of clients reached, and the numbers of needles distributed and collected monthly. Reports related to needle reuse and selling of syringes suggest changes in risk behaviors. Thousands of needles remain unaccounted for in the community. To date, a new fixed site has not been found. Conclusion Closing the fixed site needle exchange had an adverse effect on already vulnerable clients and reduced access to comprehensive harm reduction services. While official public policy supports a fixed site, politicization of the issue has meant a significant setback for harm reduction with reduced potential to meet public health targets related to reducing the spread of blood borne diseases. This situation is unacceptable from a public health perspective. PMID:20500870

  7. Site-specific cassette exchange systems in the Aedes aegypti mosquito and the Plutella xylostella moth.

    PubMed

    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

  8. 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

  9. Deterministic methods in radiation transport

    SciTech Connect

    Rice, A.F.; Roussin, R.W.

    1992-06-01

    The Seminar on Deterministic Methods in Radiation Transport was held February 4--5, 1992, in Oak Ridge, Tennessee. Eleven presentations were made and the full papers are published in this report, along with three that were submitted but not given orally. These papers represent a good overview of the state of the art in the deterministic solution of radiation transport problems for a variety of applications of current interest to the Radiation Shielding Information Center user community.

  10. A cation exchange model to describe Cs+ sorption at high ionic strength in subsurface sediments at Hanford site, USA.

    PubMed

    Liu, Chongxuan; Zachara, John M; Smith, Steve C

    2004-02-01

    A theoretical and experimental study of cation exchange in high ionic strength electrolytes was performed using pristine subsurface sediments from the U.S. Department of Energy Hanford site. These sediments are representative of the site contaminated sediments impacted by release of high level waste (HLW) solutions containing 137Cs+ in NaNO3 brine. The binary exchange behavior of Cs+-Na+, Cs+-K+, and Na+-K+ was measured over a range in electrolyte concentration. Vanselow selectivity coefficients (Kv) that were calculated from the experimental data using Pitzer model ion activity corrections for aqueous species showed monotonic increases with increasing electrolyte concentrations. The influence of electrolyte concentration was greater on the exchange of Na+-Cs+ than K+-Cs+, an observation consistent with the differences in ion hydration energy of the exchanging cations. A previously developed two-site ion exchange model [Geochimica et Cosmochimica Acta 66 (2002) 193] was modified to include solvent (water) activity changes in the exchanger phase through application of the Gibbs-Duhem equation. This water activity-corrected model well described the ionic strength effect on binary Cs+ exchange, and was extended to the ternary exchange system of Cs+-Na+-K+ on the pristine sediment. The model was also used to predict 137Cs+ distribution between sediment and aqueous phase (Kd) beneath a leaked HLW tank in Hanfordd's S-SX tank using the analytical aqueous data from the field and the binary ion exchange coefficients for the pristine sediment. The Kd predictions closely followed the trend in the field data and were improved by consideration of water activity effects that were considerable in certain regions of the vadose zone plume. PMID:14734247

  11. A cation exchange model to describe Cs + sorption at high ionic strength in subsurface sediments at Hanford site, USA

    NASA Astrophysics Data System (ADS)

    Liu, Chongxuan; Zachara, John M.; Smith, Steve C.

    2004-02-01

    A theoretical and experimental study of cation exchange in high ionic strength electrolytes was performed using pristine subsurface sediments from the U.S. Department of Energy Hanford site. These sediments are representative of the site contaminated sediments impacted by release of high level waste (HLW) solutions containing 137Cs + in NaNO 3 brine. The binary exchange behavior of Cs +-Na +, Cs +-K +, and Na +-K + was measured over a range in electrolyte concentration. Vanselow selectivity coefficients ( Kv) that were calculated from the experimental data using Pitzer model ion activity corrections for aqueous species showed monotonic increases with increasing electrolyte concentrations. The influence of electrolyte concentration was greater on the exchange of Na +-Cs + than K +-Cs +, an observation consistent with the differences in ion hydration energy of the exchanging cations. A previously developed two-site ion exchange model [Geochimica et Cosmochimica Acta 66 (2002) 193] was modified to include solvent (water) activity changes in the exchanger phase through application of the Gibbs-Duhem equation. This water activity-corrected model well described the ionic strength effect on binary Cs + exchange, and was extended to the ternary exchange system of Cs +-Na +-K + on the pristine sediment. The model was also used to predict 137Cs + distribution between sediment and aqueous phase ( Kd) beneath a leaked HLW tank in Hanfordd's S-SX tank using the analytical aqueous data from the field and the binary ion exchange coefficients for the pristine sediment. The Kd predictions closely followed the trend in the field data and were improved by consideration of water activity effects that were considerable in certain regions of the vadose zone plume.

  12. Multiparty Controlled Deterministic Secure Quantum Communication Through Entanglement Swapping

    NASA Astrophysics Data System (ADS)

    Dong, Li; Xiu, Xiao-Ming; Gao, Ya-Jun; Chi, Feng

    A three-party controlled deterministic secure quantum communication scheme through entanglement swapping is proposed firstly. In the scheme, the sender needs to prepare a class of Greenberger-Horne-Zeilinger (GHZ) states which are used as quantum channel. The two communicators may securely communicate under the control of the controller if the quantum channel is safe. The roles of the sender, the receiver, and the controller can be exchanged owing to the symmetry of the quantum channel. Different from other controlled quantum secure communication schemes, the scheme needs lesser additional classical information for transferring secret information. Finally, it is generalized to a multiparty controlled deterministic secure quantum communication scheme.

  13. Shape-Controlled Deterministic Assembly of Nanowires.

    PubMed

    Zhao, Yunlong; Yao, Jun; Xu, Lin; Mankin, Max N; Zhu, Yinbo; Wu, Hengan; Mai, Liqiang; Zhang, Qingjie; Lieber, Charles M

    2016-04-13

    Large-scale, deterministic assembly of nanowires and nanotubes with rationally controlled geometries could expand the potential applications of one-dimensional nanomaterials in bottom-up integrated nanodevice arrays and circuits. Control of the positions of straight nanowires and nanotubes has been achieved using several assembly methods, although simultaneous control of position and geometry has not been realized. Here, we demonstrate a new concept combining simultaneous assembly and guided shaping to achieve large-scale, high-precision shape controlled deterministic assembly of nanowires. We lithographically pattern U-shaped trenches and then shear transfer nanowires to the patterned substrate wafers, where the trenches serve to define the positions and shapes of transferred nanowires. Studies using semicircular trenches defined by electron-beam lithography yielded U-shaped nanowires with radii of curvature defined by inner surface of the trenches. Wafer-scale deterministic assembly produced U-shaped nanowires for >430,000 sites with a yield of ∼90%. In addition, mechanistic studies and simulations demonstrate that shaping results in primarily elastic deformation of the nanowires and show clearly the diameter-dependent limits achievable for accessible forces. Last, this approach was used to assemble U-shaped three-dimensional nanowire field-effect transistor bioprobe arrays containing 200 individually addressable nanodevices. By combining the strengths of wafer-scale top-down fabrication with diverse and tunable properties of one-dimensional building blocks in novel structural configurations, shape-controlled deterministic nanowire assembly is expected to enable new applications in many areas including nanobioelectronics and nanophotonics. PMID:26999059

  14. Deterministic multidimensional nonuniform gap sampling

    NASA Astrophysics Data System (ADS)

    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.

  15. Exact solution of Heisenberg model with site-dependent exchange couplings and Dzyloshinsky-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Yang, Li-Jun; Cao, Jun-Peng; Yang, Wen-Li

    2015-10-01

    We propose an integrable spin-1/2 Heisenberg model where the exchange couplings and Dzyloshinky-Moriya interactions are dependent on the sites. By employing the quantum inverse scattering method, we obtain the eigenvalues and the Bethe ansatz equation of the system with the periodic boundary condition. Furthermore, we obtain the exact solution and study the boundary effect of the system with the anti-periodic boundary condition via the off-diagonal Bethe ansatz. The operator identities of the transfer matrix at the inhomogeneous points are proved at the operator level. We construct the T-Q relation based on them. From which, we obtain the energy spectrum of the system. The corresponding eigenstates are also constructed. We find an interesting coherence state that is induced by the topological boundary. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174335, 11375141, 11374334, and 11434013) and the National Program for Basic Research of China and the Fund from the Chinese Academy of Sciences.

  16. 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. PMID:26443821

  17. 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.

  18. 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.

  19. 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.

  20. Crystal structure and magnetic properties of Cu(TIM)CuBr 4: An alternating site-alternating exchange chain system

    NASA Astrophysics Data System (ADS)

    Willett, Roger D.; Gomez-Garcia, Carlos J.

    2007-09-01

    The title compound, Cu(TIM)CuBr 4 (where TIM is a macrocycle ligand) is a member of the Cu(TIM)MX 4 family, which contains linear chain structures with ⋯Cu⋯X-M-X⋯Cu⋯X-M-⋯ linkages. This chain structure defines an alternating exchange/alternating site 1d system. For M=Cu, alternating FM/AFM chains are formed with JFM>| JAFM|. Structural and magnetic data are presented, along with an analysis of the exchange pathways.

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

    PubMed

    Scheff, Nicole N; Gold, Michael S

    2015-06-01

    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. PMID:26041911

  2. Quantification of iopamidol multi-site chemical exchange properties for ratiometric chemical exchange saturation transfer (CEST) imaging of pH

    NASA Astrophysics Data System (ADS)

    Zhe Sun, Phillip; Livio Longo, Dario; Hu, Wei; Xiao, Gang; Wu, Renhua

    2014-08-01

    pH-sensitive chemical exchange saturation transfer (CEST) MRI holds great promise for in vivo applications. However, the CEST effect depends on not only exchange rate and hence pH, but also on the contrast agent concentration, which must be determined independently for pH quantification. Ratiometric CEST MRI normalizes the concentration effect by comparing CEST measurements of multiple labile protons to simplify pH determination. Iopamidol, a commonly used x-ray contrast agent, has been explored as a ratiometric CEST agent for imaging pH. However, iopamidol CEST properties have not been solved, determination of which is important for optimization and quantification of iopamidol pH imaging. Our study numerically solved iopamidol multi-site pH-dependent chemical exchange properties. We found that iopamidol CEST MRI is suitable for measuring pH between 6 and 7.5 despite that T1 and T2 measurements varied substantially with pH and concentration. The pH MRI precision decreased with pH and concentration. The standard deviation of pH determined from MRI was 0.2 and 0.4 pH unit for 40 and 20 mM iopamidol solution of pH 6, and it improved to be less than 0.1 unit for pH above 7. Moreover, we determined base-catalyzed chemical exchange for 2-hydrooxypropanamido (ksw = 1.2*10pH-4.1) and amide (ksw = 1.2*10pH-4.6) protons that are statistically different from each other (P < 0.01, ANCOVA), understanding of which should help guide in vivo translation of iopamidol pH imaging.

  3. 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.

  4. 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.

  5. Deterministic relativistic quantum bit commitment

    NASA Astrophysics Data System (ADS)

    Adlam, Emily; Kent, Adrian

    2015-06-01

    We describe new unconditionally secure bit commitment schemes whose security is based on Minkowski causality and the monogamy of quantum entanglement. We first describe an ideal scheme that is purely deterministic, in the sense that neither party needs to generate any secret randomness at any stage. We also describe a variant that allows the committer to proceed deterministically, requires only local randomness generation from the receiver, and allows the commitment to be verified in the neighborhood of the unveiling point. We show that these schemes still offer near-perfect security in the presence of losses and errors, which can be made perfect if the committer uses an extra single random secret bit. We discuss scenarios where these advantages are significant.

  6. 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.

  7. A Binding Site on IL-17A for Inhibitory Macrocycles Revealed by Hydrogen/Deuterium Exchange Mass Spectrometry.

    PubMed

    Espada, Alfonso; Broughton, Howard; Jones, Spencer; Chalmers, Michael J; Dodge, Jeffrey A

    2016-03-10

    Computational assessment of the IL-17A structure identified two distinct binding pockets, the β-hairpin pocket and the α-helix pocket. The β-hairpin pocket was hypothesized to be the site of binding for peptide macrocycles. Support for this hypothesis was obtained using HDX-MS which revealed protection to exchange only within the β-hairpin pocket. This data represents the first direct structural evidence of a small molecule binding site on IL-17A that functions to disrupt the interaction with its receptor. PMID:26854023

  8. Theoretical Calculations for Magnetic Property of FeRh Inter-Metallic Compound with Site-Exchange Defects

    NASA Astrophysics Data System (ADS)

    Kaneta, Yasunori; Ishino, Shiori; Chen, Ying; Iwata, Shuichi; Iwase, Akihiro

    2011-10-01

    To clarify the relationship between a magnetic property and a defect structure in FeRh inter-metallic compound theoretically, energy band calculations are performed based on the density functional theory. Under the assumption that the majority of defect structure is a type of site-exchanged one between Fe and Rh atoms, total energy for various magnetic structures is evaluated within a super-cell of 2×2×2 cubic cells. Due to the site-exchange defect pair of nearest neighbor Fe and Rh atoms in 12.5%/f.u. (f.u.: formula unit) density, the total energy increases by 1.91 eV/pair in the anti-ferromagnetic structure and 0.88 eV/pair in the ferromagnetic structure. Although the anti-ferromagnetic structure is the stable state at low temperatures in defect-free FeRh, it becomes unstable with an amount of the site-exchange defect density. Threshold defect density to stabilize ferromagnetic state is estimated to be 0.8%/f.u. This phenomenon is expected in ion irradiated FeRh.

  9. Site-directed point mutations in embryonic stem cells: a gene-targeting tag-and-exchange strategy.

    PubMed Central

    Askew, G R; Doetschman, T; Lingrel, J B

    1993-01-01

    Sequential gene targeting was used to introduce point mutations into one alpha 2 isoform Na,K-ATPase homolog in mouse embryonic stem (ES) cells. In the first round of targeted replacement, the gene was tagged with selectable markers by insertion of a Neor/HSV-tk gene cassette, and this event was selected for by gain of neomycin (G418) resistance. In the second targeted replacement event, the tagged genomic sequence was exchanged with a vector consisting of homologous genomic sequences carrying five site-directed nucleotide substitutions. Embryonic stem cell clones modified by exchange with the mutation vector were selected for loss of the HSV-tk gene by resistance to ganciclovir. Candidate clones were further screened and identified by polymerase chain reaction and Southern blot analysis. By this strategy, the endogenous alpha 2 isoform Na,K-ATPase gene was altered to encode two other amino acids so that the enzyme is resistant to inhibition by cardiac glycosides while maintaining its transmembrane ion-pumping function. Since the initial tagging event and the subsequent mutation-exchange event are independent of one another, a tagged cell line can be used to generate a variety of mutant lines by exchange with various mutation vectors at the tagged locus. This method should be useful for testing specific mutations introduced into the genomes of tissue culture cells and animals and for developing animal models encompassing the mutational variability of known genetic disorders. Images PMID:8391633

  10. 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.

  11. Quantifying Fast and Slow Responses of Terrestrial Carbon Exchange across a Water Availability Gradient in North American Flux Sites

    NASA Astrophysics Data System (ADS)

    Biederman, J. A.; Scott, R. L.; Goulden, M.

    2014-12-01

    Climate change is predicted to increase the frequency and severity of water limitation, altering terrestrial ecosystems and their carbon exchange with the atmosphere. Here we compare site-level temporal sensitivity of annual carbon fluxes to interannual variations in water availability against cross-site spatial patterns over a network of 19 eddy covariance flux sites. This network represents one order of magnitude in mean annual productivity and includes western North American desert shrublands and grasslands, savannahs, woodlands, and forests with continuous records of 4 to 12 years. Our analysis reveals site-specific patterns not identifiable in prior syntheses that pooled sites. We interpret temporal variability as an indicator of ecosystem response to annual water availability due to fast-changing factors such as leaf stomatal response and microbial activity, while cross-site spatial patterns are used to infer ecosystem adjustment to climatic water availability through slow-changing factors such as plant community and organic carbon pools. Using variance decomposition, we directly quantify how terrestrial carbon balance depends on slow- and fast-changing components of gross ecosystem production (GEP) and total ecosystem respiration (TER). Slow factors explain the majority of variance in annual net ecosystem production (NEP) across the dataset, and their relative importance is greater at wetter, forest sites than desert ecosystems. Site-specific offsets from spatial patterns of GEP and TER explain one third of NEP variance, likely due to slow-changing factors not directly linked to water, such as disturbance. TER and GEP are correlated across sites as previously shown, but our site-level analysis reveals surprisingly consistent linear relationships between these fluxes in deserts and savannahs, indicating fast coupling of TER and GEP in more arid ecosystems. Based on the uncertainty associated with slow and fast factors, we suggest a framework for improved

  12. 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

    ...The Department of State is seeking Office of Management and Budget (OMB) approval for the information collection described below. The purpose of this notice is to allow 60 days for public comment in the Federal Register preceding submission to OMB. We are conducting this process in accordance with the Paperwork Reduction Act of 1995. Title of Information Collection: Exchange Programs......

  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. 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. PMID:25562431

  15. 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

  16. Survivability of Deterministic Dynamical Systems.

    PubMed

    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

  17. Survivability of Deterministic Dynamical Systems

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  18. Site selective syntheses of [(3)H]omeprazole using hydrogen isotope exchange chemistry.

    PubMed

    Pollack, Scott R; Schenk, David J

    2015-01-01

    Omeprazole (Prilosec®) is a selective and irreversible proton pump inhibitor used to treat various medical conditions related to the production of excess stomach acids. It functions by suppressing secretion of those acids. Radiolabeled compounds are commonly employed in the drug discovery and development process to support efforts including library screening, target identification, receptor binding, assay development and validation and safety assessment. Herein, we describe synthetic approaches to the controlled and selective labeling of omeprazole with tritium via hydrogen isotope exchange chemistry. The chemistry may also be used to prepare tritium labeled esomeprazole (Nexium®), the active pure (S)-enantiomer of omeprazole. PMID:26380956

  19. Comment on: Supervisory Asymmetric Deterministic Secure Quantum Communication

    NASA Astrophysics Data System (ADS)

    Kao, Shih-Hung; Tsai, Chia-Wei; Hwang, Tzonelih

    2012-12-01

    In 2010, Xiu et al. (Optics Communications 284:2065-2069, 2011) proposed several applications based on a new secure four-site distribution scheme using χ-type entangled states. This paper points out that one of these applications, namely, supervisory asymmetric deterministic secure quantum communication, is subject to an information leakage problem, in which the receiver can extract two bits of a three-bit secret message without the supervisor's permission. An enhanced protocol is proposed to resolve this problem.

  20. 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.

  1. Are earthquakes deterministic or chaotic?

    NASA Astrophysics Data System (ADS)

    Rundle, John B.; Julian, Bruce R.; Turcotte, Donald L.

    During the last decade, physicists and applied mathematicians have made substantial headway in understanding the dynamics of complex nonlinear systems. Progress has been possible due to the development of several new tools, including the renormalization group approach, phase portraits, and scaling methods (fractals). At the same time, mathematical geophysicists interested in earthquakes have begun to utilize these same concepts to generate models of faults and fractures.In order to bring these scientific communities together, it was decided to convene the workshop, Physics of Earthquake Faults: Deterministic or Chaotic?, held February 12-15, at the Asilomar conference center near Monterey, Calif. Thirty-six Earth scientists met with 15 physicists and applied mathematicians to discuss how recent advances in nonlinear systems might be applied to better understand earthquakes. Funding was provided by the Geodynamics Branch of the National Aeronautics and Space Administration, the National Science Foundation, and the Office of Basic Energy Sciences of the U.S. Department of Energy. Organizational and logistical support were provided by the U.S. Geological Survey.

  2. Does formal intramolecular transfer of an acidic deuterium to a site of halogen-lithium exchange show that lithium-halogen exchange is faster than loss of the acidic deuterium. Evidence in favor of an alternative mechanism

    SciTech Connect

    Beak, P.; Musick, T.J.; Chen, C.

    1988-05-25

    Reactions in which there is formal intramolecular transfer of an acidic deuterium to a site of halogen-lithium exchange could be interpreted to show that initial halogen-lithium exchange occurs faster than loss of the acidic deuterium. However studies of the competition between halogen-metal-deuterium loss for N-deuterio-N-alkyl-o, -m-, and -p-halobenzimides are not consistent with that mechanism. They suggest an alternative in which initial loss of the acidic deuterium is followed by halogen-lithium exchange to give a dilithiated intermediate. Deuterium transfer to the site of halogen-lithium exchange then occurs by reaction of the dilithiated species intermolecularly with unreacted N-deuteriated amide. The halogen-lithium exchange is faster than complete mixing of the reactants and can occur either in an initially formed deprotonated complex or in a transient high local concentration of organolithium reagent. Evidence for both possibilities is provided. Two reactions from the literature in which halogen-lithium exchange appears to be faster than transfer of an acidic hydrogen have been reinvestigated and found to be interpretable in terms of similar sequences.

  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. 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.

  5. High desolvation temperature facilitates the ESI-source H/D exchange at non-labile sites of hydroxybenzoic acids and aromatic amino acids.

    PubMed

    Zherebker, Alexander; Kostyukevich, Yury; Kononikhin, Alexey; Roznyatovsky, Vitaliy A; Popov, Igor; Grishin, Yuri K; Perminova, Irina V; Nikolaev, Eugene

    2016-04-21

    Hydrogen/deuterium exchange coupled with high-resolution mass spectrometry has become a powerful analytical approach for structural investigations of complex organic matrices. Here we report the feasibility of the site-specific H/D exchange of non-labile hydrogens directly in the electrospray ionization (ESI) source, which was facilitated by an increase in the desolvation temperature from 200 °C up to 400 °C. We have found that the exchanges at non-labile sites were observed only for the model compounds capable of keto-enol tautomeric transformations (e.g., 2,3-, 2,4-dihydroxybenzoic acids, gallic acid, DOPA), and only when water was used as a solvent. We hypothesized that the detected additional exchanges were induced by the presence of hydroxyls in the sprayed water droplets generated in the negative ESI mode. It was indicative of the exchange reactions taking place in the sprayed droplets rather than in the gas phase. To support this hypothesis, the H/D exchange experiments were run in deuterated water under base-catalyzed conditions for three model compounds, which showed the most intensive exchanges in the MS experiments: DOPA, 2,4-DHB, and 5-acetylsalicylic acid. (2)H NMR spectroscopy has confirmed keto-enolic transformations of the model compounds leading to the specific labeling of the corresponding non-labile sites. We believe that the proposed technique will be useful for structural investigations of natural complex mixtures (e.g. proteins, humic substances) using site-specific H/D exchange. PMID:27002310

  6. Atmospheric Ionic Deposition in Tropical Sites of Central Sulawesi Determined by Ion Exchange Resin Collectors and Bulk Water Collector.

    PubMed

    Köhler, S; Jungkunst, H F; Gutzler, C; Herrera, R; Gerold, G

    2012-09-01

    In the light of global change, the necessity to monitor atmospheric depositions that have relevant effects on ecosystems is ever increasing particularly for tropical sites. For this study, atmospheric ionic depositions were measured on tropical Central Sulawesi at remote sites with both a conventional bulk water collector system (BWS collector) and with a passive ion exchange resin collector system (IER collector). The principle of IER collector to fix all ionic depositions, i.e. anions and cations, has certain advantages referring to (1) post-deposition transformation processes, (2) low ionic concentrations and (3) low rainfall and associated particulate inputs, e.g. dust or sand. The ionic concentrations to be measured for BWS collectors may easily fall below detection limits under low deposition conditions which are common for tropical sites of low land use intensity. Additionally, BWS collections are not as independent from the amount of rain fallen as are IER collections. For this study, the significant differences between both collectors found for nearly all measured elements were partly correlated to the rainfall pattern, i.e. for calcium, magnesium, potassium and sodium. However, the significant differences were, in most cases, not highly relevant. More relevant differences between the systems were found for aluminium and nitrate (434-484 %). Almost five times higher values for nitrate clarified the advantage of the IER system particularly for low deposition rate which is one particularity of atmospheric ionic deposition in tropical sites of extensive land use. The monthly resolution of the IER data offers new insights into the temporal distribution of annual ionic depositions. Here, it did not follow the tropical rain pattern of a drier season within generally wet conditions. PMID:22865942

  7. 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

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

    PubMed

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

    2016-01-22

    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 (15)N-labeled Ras as well as [(13)C]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. Single-Site Heterogeneous Catalysts for Olefin Polymerization Enabled by Cation Exchange in a Metal-Organic Framework.

    PubMed

    Comito, Robert J; Fritzsching, Keith J; Sundell, Benjamin J; Schmidt-Rohr, Klaus; Dincă, Mircea

    2016-08-17

    The manufacture of advanced polyolefins has been critically enabled by the development of single-site heterogeneous catalysts. Metal-organic frameworks (MOFs) show great potential as heterogeneous catalysts that may be designed and tuned on the molecular level. In this work, exchange of zinc ions in Zn5Cl4(BTDD)3, H2BTDD = bis(1H-1,2,3-triazolo[4,5-b],[4',5'-i])dibenzo[1,4]dioxin) (MFU-4l) with reactive metals serves to establish a general platform for selective olefin polymerization in a high surface area solid promising for industrial catalysis. Characterization of polyethylene produced by these materials demonstrates both molecular and morphological control. Notably, reactivity approaches single-site catalysis, as evidenced by low polydispersity indices, and good molecular weight control. We further show that these new catalysts copolymerize ethylene and propylene. Uniform growth of the polymer around the catalyst particles provides a mechanism for controlling the polymer morphology, a relevant metric for continuous flow processes. PMID:27443860

  10. Risk-based and deterministic regulation

    SciTech Connect

    Fischer, L.E.; Brown, N.W.

    1995-07-01

    Both risk-based and deterministic methods are used for regulating the nuclear industry to protect the public safety and health from undue risk. The deterministic method is one where performance standards are specified for each kind of nuclear system or facility. The deterministic performance standards address normal operations and design basis events which include transient and accident conditions. The risk-based method uses probabilistic risk assessment methods to supplement the deterministic one by (1) addressing all possible events (including those beyond the design basis events), (2) using a systematic, logical process for identifying and evaluating accidents, and (3) considering alternative means to reduce accident frequency and/or consequences. Although both deterministic and risk-based methods have been successfully applied, there is need for a better understanding of their applications and supportive roles. This paper describes the relationship between the two methods and how they are used to develop and assess regulations in the nuclear industry. Preliminary guidance is suggested for determining the need for using risk based methods to supplement deterministic ones. However, it is recommended that more detailed guidance and criteria be developed for this purpose.

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

    NASA Astrophysics Data System (ADS)

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

    1992-11-01

    Eddy correlation measurements were made of fluxes of momentum, sensible heat, water vapor, and carbon dioxide at a centrally located plateau site in the FIFE study area during the period from May to October 1987. About 82% of the vegetation at the site was comprised of several C4 grass species (big bluestem, Indian grass, switchgrass, tall dropseed, little bluestem, and blue grama), with the remainder being C3 grasses, sedges, forbs, and woody plants. The prairie was burned in mid-April and was not grazed. Precipitation during the study period was about normal, except for a 3-week dry period in late July to early August, which caused moisture stress conditions. The drag coefficient (Cd=u*2/u¯2, where u* is the friction velocity and ū is the mean wind speed at 2.25 m above the ground) of the prairie vegetation ranged from 0.0087 to 0.0099. The average d/zc and z0/zc (where d is the zero plane displacement, z0 is the roughness parameter, and zc is the canopy height) were estimated to be about 0.71 and 0.028, respectively. Information was developed on the aerodynamic conductance (ga) in terms of mean wind speed (measured at a reference height) for different periods in the growing season. During the early and peak growth stages, with favorable soil moisture, the daily evapotranspiration (ET) rates ranged from 3.9 to 6.6 mm d-1. The ET rate during the dry period was between 2.9 and 3.8 mm d-1. The value of the Priestley-Taylor coefficient (α), calculated as the ratio of the measured ET to the equilibrium ET, averaged around 1.26 when the canopy stomatal resistance (rc) was less than 100 s m-1. When rc increased above 100 s m-1, α decreased rapidly. The atmospheric CO2 flux data (eddy correlation) were used, in conjunction with estimated soil CO2 flux, to evaluate canopy photosynthesis (Pc). The dependence of Pc on photosynthetically active radiation (KPAR), vapor pressure deficit, and soil moisture was examined. Under nonlimiting soil moisture conditions, Pc was

  12. 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.

  13. Tracking CO2 flux: Seasonal Patterns, Net Ecosystem Exchange and Site Comparisons of Environmental Variables at a Boreal Peatland

    NASA Astrophysics Data System (ADS)

    Bhatia, G.; Bubier, J. L.

    2001-05-01

    Peatlands play a significant role in the global carbon cycle sequestering approximately one-third of the global pool of soil carbon. An increased understanding of the carbon cycle in these critical ecosystems is imperative to further our comprehension of the role they play in future global warming. Net ecosystem exchange (NEE) of carbon dioxide was measured at Mer Bleue Bog in Ottawa, Ontario, Canada from May through August 2000. Dominant species at Mer Bleue included Ledum groenlandicum, Chamaedaphne calyculata, Eriophorum vaginatum, Carex oligosperma and Sphagnum species. In order to understand the controls and variability of NEE a range of sites were considered, including a beaver pond, a bog and a poor fen. This study aimed at comparing overall seasonal patterns and ranges of NEE, photosynthesis and respiration and understanding the relationships with photosynthetically active radiation (PAR), water table, temperature, species composition and plant biomass. A clear lexan and teflon film climate-controlled chamber was used to measure the rate of respiration and photosynthesis on a bi-weekly basis in all sites. The chamber was attached to a LI-COR 6200 portable photosynthesis system, which included a LI-6250 infrared gas analyzer, quantum sensor and data logger. Shrouds of different mesh sizes were used to regulate the amount of light entering the chamber in order to measure NEE at a wide range of PAR. An opaque shroud was used to measure ecosystem respiration. Photosynthesis was calculated as the difference between NEE and respiration. Seasonal patterns showed a peak season from June 23rd through July 15th where higher PAR and temperature levels led to increased photosynthesis and respiration measurements. Although NEE rates at the sites varied, during peak season NEE ranged in increasing order: bog hummock and hollow (6 to -6.5 μ mol CO2 m{-2} s{-1}) < beaver pond (6 to -7 μ mol CO2 m{-2} s{-1}) < poor fen (10 to -8 μ mol CO2 m{-2}s {-1}).

  14. 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.

  15. Evaluation and application of anion exchange resins to measure groundwater uranium flux at a former uranium mill site.

    PubMed

    Stucker, Valerie; Ranville, James; Newman, Mark; Peacock, Aaron; Cho, Jaehyun; Hatfield, Kirk

    2011-10-15

    Laboratory tests and a field validation experiment were performed to evaluate anion exchange resins for uranium sorption and desorption in order to develop a uranium passive flux meter (PFM). The mass of uranium sorbed to the resin and corresponding masses of alcohol tracers eluted over the duration of groundwater installation are then used to determine the groundwater and uranium contaminant fluxes. Laboratory based batch experiments were performed using Purolite A500, Dowex 21K and 21K XLT, Lewatit S6328 A resins and silver impregnated activated carbon to examine uranium sorption and extraction for each material. The Dowex resins had the highest uranium sorption, followed by Lewatit, Purolite and the activated carbon. Recoveries from all ion exchange resins were in the range of 94-99% for aqueous uranium in the environmentally relevant concentration range studied (0.01-200 ppb). Due to the lower price and well-characterized tracer capacity, Lewatit S6328 A was used for field-testing of PFMs at the DOE UMTRA site in Rifle, CO. The effect on the flux measurements of extractant (nitric acid)/resin ratio, and uranium loading were investigated. Higher cumulative uranium fluxes (as seen with concentrations>1 ug U/gram resin) yielded more homogeneous resin samples versus lower cumulative fluxes (<1 ug U/gram resin), which caused the PFM to have areas of localized concentration of uranium. Resin homogenization and larger volume extractions yield reproducible results for all levels of uranium fluxes. Although PFM design can be improved to measure flux and groundwater flow direction, the current methodology can be applied to uranium transport studies. PMID:21798572

  16. 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

  17. 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. PMID:15824576

  18. Stochastic search with Poisson and deterministic resetting

    NASA Astrophysics Data System (ADS)

    Bhat, Uttam; De Bacco, Caterina; Redner, S.

    2016-08-01

    We investigate a stochastic search process in one, two, and three dimensions in which N diffusing searchers that all start at x 0 seek a target at the origin. Each of the searchers is also reset to its starting point, either with rate r, or deterministically, with a reset time T. In one dimension and for a small number of searchers, the search time and the search cost are minimized at a non-zero optimal reset rate (or time), while for sufficiently large N, resetting always hinders the search. In general, a single searcher leads to the minimum search cost in one, two, and three dimensions. When the resetting is deterministic, several unexpected feature arise for N searchers, including the search time being independent of T for 1/T\\to 0 and the search cost being independent of N over a suitable range of N. Moreover, deterministic resetting typically leads to a lower search cost than in Poisson resetting.

  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. Deterministic evolutionary game dynamics in finite populations.

    PubMed

    Altrock, Philipp M; Traulsen, Arne

    2009-07-01

    Evolutionary game dynamics describes the spreading of successful strategies in a population of reproducing individuals. Typically, the microscopic definition of strategy spreading is stochastic such that the dynamics becomes deterministic only in infinitely large populations. Here, we present a microscopic birth-death process that has a fully deterministic strong selection limit in well-mixed populations of any size. Additionally, under weak selection, from this process the frequency-dependent Moran process is recovered. This makes it a natural extension of the usual evolutionary dynamics under weak selection. We find simple expressions for the fixation probabilities and average fixation times of the process in evolutionary games with two players and two strategies. For cyclic games with two players and three strategies, we show that the resulting deterministic dynamics crucially depends on the initial condition in a nontrivial way. PMID:19658731

  2. Quantum secure direct communication and deterministic secure quantum communication

    NASA Astrophysics Data System (ADS)

    Long, Gui-Lu; Deng, Fu-Guo; Wang, Chuan; Li, Xi-Han; Wen, Kai; Wang, Wan-Ying

    2007-07-01

    In this review article, we review the recent development of quantum secure direct communication (QSDC) and deterministic secure quantum communication (DSQC) which both are used to transmit secret message, including the criteria for QSDC, some interesting QSDC protocols, the DSQC protocols and QSDC network, etc. The difference between these two branches of quantum communication is that DSQC requires the two parties exchange at least one bit of classical information for reading out the message in each qubit, and QSDC does not. They are attractive because they are deterministic, in particular, the QSDC protocol is fully quantum mechanical. With sophisticated quantum technology in the future, the QSDC may become more and more popular. For ensuring the safety of QSDC with single photons and quantum information sharing of single qubit in a noisy channel, a quantum privacy amplification protocol has been proposed. It involves very simple CHC operations and reduces the information leakage to a negligible small level. Moreover, with the one-party quantum error correction, a relation has been established between classical linear codes and quantum one-party codes, hence it is convenient to transfer many good classical error correction codes to the quantum world. The one-party quantum error correction codes are especially designed for quantum dense coding and related QSDC protocols based on dense coding.

  3. Deterministic mediated superdense coding with linear optics

    NASA Astrophysics Data System (ADS)

    Pavičić, Mladen

    2016-02-01

    We present a scheme of deterministic mediated superdense coding of entangled photon states employing only linear-optics elements. Ideally, we are able to deterministically transfer four messages by manipulating just one of the photons. Two degrees of freedom, polarization and spatial, are used. A new kind of source of heralded down-converted photon pairs conditioned on detection of another pair with an efficiency of 92% is proposed. Realistic probabilistic experimental verification of the scheme with such a source of preselected pairs is feasible with today's technology. We obtain the channel capacity of 1.78 bits for a full-fledged implementation.

  4. Nine challenges for deterministic epidemic models

    PubMed Central

    Roberts, Mick; Andreasen, Viggo; Lloyd, Alun; Pellis, Lorenzo

    2016-01-01

    Deterministic models have a long history of being applied to the study of infectious disease epidemiology. We highlight and discuss nine challenges in this area. The first two concern the endemic equilibrium and its stability. We indicate the need for models that describe multi-strain infections, infections with time-varying infectivity, and those where super infection is possible. We then consider the need for advances in spatial epidemic models, and draw attention to the lack of models that explore the relationship between communicable and non-communicable diseases. The final two challenges concern the uses and limitations of deterministic models as approximations to stochastic systems. PMID:25843383

  5. Deterministic aggregation kinetics of superparamagnetic colloidal particles

    NASA Astrophysics Data System (ADS)

    Reynolds, Colin P.; Klop, Kira E.; Lavergne, François A.; Morrow, Sarah M.; Aarts, Dirk G. A. L.; Dullens, Roel P. A.

    2015-12-01

    We study the irreversible aggregation kinetics of superparamagnetic colloidal particles in two dimensions in the presence of an in-plane magnetic field at low packing fractions. Optical microscopy and image analysis techniques are used to follow the aggregation process and in particular study the packing fraction and field dependence of the mean cluster size. We compare these to the theoretically predicted scalings for diffusion limited and deterministic aggregation. It is shown that the aggregation kinetics for our experimental system is consistent with a deterministic mechanism, which thus shows that the contribution of diffusion is negligible.

  6. STATISTICAL ANALYSIS OF A DETERMINISTIC STOCHASTIC ORBIT

    SciTech Connect

    Kaufman, Allan N.; Abarbanel, Henry D.I.; Grebogi, Celso

    1980-05-01

    If the solution of a deterministic equation is stochastic (in the sense of orbital instability), it can be subjected to a statistical analysis. This is illustrated for a coded orbit of the Chirikov mapping. Statistical dependence and the Markov assumption are tested. The Kolmogorov-Sinai entropy is related to the probability distribution for the orbit.

  7. A deterministic discrete ordinates transport proxy application

    Energy Science and Technology Software Center (ESTSC)

    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.

  8. Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites

    NASA Astrophysics Data System (ADS)

    Deka, Ramesh Ch.; Kinkar Roy, Ram; Hirao, Kimihiko

    2004-05-01

    Lewis acidity of alkali cation-exchanged zeolite is studied using local reactivity descriptors based on hard-soft acid-base (HSAB) concept. The local softness for nucleophilic attack ( sx+), local softness for electrophilic attack ( sx-) and their ratio, which is called `relative electrophilicity' ( sx+/ sx-), are calculated for the exchanged cations and Lewis acidity of the cations is found to decrease in the order: Li + > Na + > K + > Rb + > Cs +. Calculated blue shift of CO vibrational frequency (Δ ν) and interaction energy of CO molecule with alkali cation-exchanged zeolite clusters vary linearly with sx+/ sx- values.

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

    SciTech Connect

    McKinley, James P.; Zachara, John M.; Smith, Steven C.; Liu, Chongxuan

    2007-01-15

    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. Sr2+, 90Sr2+, Mg2+, and Ca2+ was desorbed and total inorganic carbon concentration was monitored during the equilibration of this sediment with varying concentrations of Na+, 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 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 90Sr2+ to the water table.

  10. 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.

  11. Deterministic Analysis and Upscaling of Bromide Transport in a Heterogeneous Vadose Zone

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Conservativ solute transport experiments were conducted at a field plot and on an undisturbed soil core from the same site. The hydraulic and solute transport properties were extensively characterized so that the data could be analyzed from a deterministic perspective. To investigate the influence o...

  12. On-site characterization of humic-rich hydrocolloids and their metal loading by means of mobile size-fractionation and exchange techniques.

    PubMed

    Burba, P; Van den Bergh, J; Klockow, D

    2001-11-01

    Humic-rich hydrocolloids and their metal loading in selected German bog-waters have been characterized by a novel on-site approach. By use of an on-line multistage ultrafiltration (MST-UF) unit equipped with conventional polyethersulfone (PES)-based flat membranes (nominal cut-off 0.45, 0.22, and 0.1 microm, or 100, 50, 10, 5, 3 kDa) the hydrocolloids could be fractionated on-site in both sub-particulate and macromolecular size ranges. Characterization (dissolved organic carbon (DOC), metals) of the colloid fractions obtained this way was performed off-site by use of conventional instrumental methods (carbon analyzer, AAS, ICP-OES, and TXRF (total reflection X-ray fluorescence)). Major DOC fractions of the hydrocolloids studied were found to be in the size range <5 kDa. The assessed metals (Al, Cu, Fe, Mn, Pb, and Zn) were, however, predominantly enriched in the macromolecular and sub-particulate range, depending on the metal and the sample, respectively. In addition, metal species bound to these hydrocolloids were kinetically characterized on-site by use of competitive ligand (EDTA (ethylenediaminetetraacetate)) and metal (Cu(II)) exchange; the EDTA complexes formed and the metal ions exchanged were separated by means of a small time-controlled tangential-flow UF unit (cut-off 1 kDa). Bound metal fractions, in particular Al and Fe, reacted only slowly (500 to 1000 min) with EDTA; the conditional availability was 60-99%, depending on the hydrocolloid. In contrast, the Cu(II) exchange of colloid-bound metal species approached equilibrium within 5-10 min, with characteristic exchange constants, Kex, of the order of 0.01 to 90 for the metals (Feexchange under on-site conditions. PMID:11767893

  13. The deterministic and statistical Burgers equation

    NASA Astrophysics Data System (ADS)

    Fournier, J.-D.; Frisch, U.

    Fourier-Lagrangian representations of the UV-region inviscid-limit solutions of the equations of Burgers (1939) are developed for deterministic and random initial conditions. The Fourier-mode amplitude behavior of the deterministic case is characterized by complex singularities with fast decrease, power-law preshocks with k indices of about -4/3, and shocks with k to the -1. In the random case, shocks are associated with a k to the -2 spectrum which overruns the smaller wavenumbers and appears immediately under Gaussian initial conditions. The use of the Hopf-Cole solution in the random case is illustrated in calculations of the law of energy decay by a modified Kida (1979) method. Graphs and diagrams of the results are provided.

  14. Are earthquakes an example of deterministic chaos?

    NASA Technical Reports Server (NTRS)

    Huang, Jie; Turcotte, Donald L.

    1990-01-01

    A simple mass-spring model is used to systematically examine the dynamical behavior introduced by fault zone heterogeneities. The model consists of two sliding blocks coupled to each other and to a constant velocity driver by elastic springs. The state of this system can be characterized by the positions of the two blocks relative to the driver. A simple static/dynamic friction law is used. When the system is symmetric, cyclic behavior is observed. For an asymmetric system, where the frictional forces for the two blocks are not equal, the solutions exhibit deterministic chaos. Chaotic windows occur repeatedly between regions of limit cycles on bifurcation diagrams. The model behavior is similar to that of the one-dimensional logistic map. The results provide substantial evidence that earthquakes are an example of deterministic chaos.

  15. Deterministic dynamics in the minority game

    NASA Astrophysics Data System (ADS)

    Jefferies, P.; Hart, M. L.; Johnson, N. F.

    2002-01-01

    The minority game (MG) behaves as a stochastically disturbed deterministic system due to the coin toss invoked to resolve tied strategies. Averaging over this stochasticity yields a description of the MG's deterministic dynamics via mapping equations for the strategy score and global information. The strategy-score map contains both restoring-force and bias terms, whose magnitudes depend on the game's quenched disorder. Approximate analytical expressions are obtained and the effect of ``market impact'' is discussed. The global-information map represents a trajectory on a de Bruijn graph. For small quenched disorder, a Eulerian trail represents a stable attractor. It is shown analytically how antipersistence arises. The response to perturbations and different initial conditions is also discussed.

  16. 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.

  17. Deterministic Mean-Field Ensemble Kalman Filtering

    DOE PAGESBeta

    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

  18. 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.

  19. Annual CO2 budget and seasonal CO2 exchange signals at a High Arctic permafrost site on Spitsbergen, Svalbard archipelago

    NASA Astrophysics Data System (ADS)

    Lüers, J.; Westermann, S.; Piel, K.; Boike, J.

    2014-01-01

    The annual variability of CO2 exchange in most ecosystems is primarily driven by the activities of plants and soil microorganisms. However, little is known about the carbon balance and its controlling factors outside the growing season in arctic regions dominated by soil freeze/thaw-processes, long-lasting snow cover, and several months of darkness. This study presents a complete annual cycle of the CO2 net ecosystem exchange (NEE) dynamics for a High Arctic tundra area on the west coast of Svalbard based on eddy-covariance flux measurements. The annual cumulative CO2 budget is close to zero grams carbon per square meter per year, but shows a very strong seasonal variability. Four major CO2 exchange seasons have been identified. (1) During summer (ground snow-free), the CO2 exchange occurs mainly as a result of biological activity, with a predominance of strong CO2 assimilation by the ecosystem. (2) The autumn (ground snow-free or partly snow-covered) is dominated by CO2 respiration as a result of biological activity. (3) In winter and spring (ground snow-covered), low but persistent CO2 release occur, overlain by considerable CO2 exchange events in both directions associated with changes of air masses and air and atmospheric CO2 pressure. (4) The snow melt season (pattern of snow-free and snow-covered areas), where both, meteorological and biological forcing, resulting in a visible carbon uptake by the high arctic ecosystem. Data related to this article are archived under: http://doi.pangaea.de/10.1594/PANGAEA.809507.

  20. Annual CO2 budget and seasonal CO2 exchange signals at a high Arctic permafrost site on Spitsbergen, Svalbard archipelago

    NASA Astrophysics Data System (ADS)

    Lüers, J.; Westermann, S.; Piel, K.; Boike, J.

    2014-11-01

    The annual variability of CO2 exchange in most ecosystems is primarily driven by the activities of plants and soil microorganisms. However, little is known about the carbon balance and its controlling factors outside the growing season in Arctic regions dominated by soil freeze/thaw processes, long-lasting snow cover, and several months of darkness. This study presents a complete annual cycle of the CO2 net ecosystem exchange (NEE) dynamics for a high Arctic tundra area at the west coast of Svalbard based on eddy covariance flux measurements. The annual cumulative CO2 budget is close to 0 g C m-2 yr-1, but displays a strong seasonal variability. Four major CO2 exchange seasons have been identified. (1) During summer (snow-free ground), the CO2 exchange occurs mainly as a result of biological activity, with a dominance of strong CO2 assimilation by the ecosystem. (2) The autumn (snow-free ground or partly snow-covered) is dominated by CO2 respiration as a result of biological activity. (3) In winter and spring (snow-covered ground), low but persistent CO2 release occurs, overlayed by considerable CO2 exchange events in both directions associated with high wind speed and changes of air masses and atmospheric air pressure. (4) The snow melt season (pattern of snow-free and snow-covered areas) is associated with both meteorological and biological forcing, resulting in a carbon uptake by the high Arctic ecosystem. Data related to this article are archived at http://doi.pangaea.de/10.1594/PANGAEA.809507.

  1. 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

  2. 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

  3. Joint X-ray absorption and far infrared spectroscopic studies on zeolite surfaces exchange and siting of copper ions and their redox behavior during NO decomposition in zeolite ZSM-5

    NASA Astrophysics Data System (ADS)

    Esemann, H.; Förster, H.

    1999-05-01

    Far infrared (FIR) and X-ray absorption spectroscopy (XAS) assisted by computer modelling were tested for their aptitude to study ion exchange, cation siting, NO adsorption and redox behavior of CuZSM-5.

  4. 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.

  5. Minimal Deterministic Physicality Applied to Cosmology

    NASA Astrophysics Data System (ADS)

    Valentine, John S.

    This report summarizes ongoing research and development since our 2012 foundation paper, including the emergent effects of a deterministic mechanism for fermion interactions: (1) the coherence of black holes and particles using a quantum chaotic model; (2) wide-scale (anti)matter prevalence from exclusion and weak interaction during the fermion reconstitution process; and (3) red-shift due to variations of vacuum energy density. We provide a context for Standard Model fields, and show how gravitation can be accountably unified in the same mechanism, but not as a unified field.

  6. 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.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  9. Moment equations for a piecewise deterministic PDE

    NASA Astrophysics Data System (ADS)

    Bressloff, Paul C.; Lawley, Sean D.

    2015-03-01

    We analyze a piecewise deterministic PDE consisting of the diffusion equation on a finite interval Ω with randomly switching boundary conditions and diffusion coefficient. We proceed by spatially discretizing the diffusion equation using finite differences and constructing the Chapman-Kolmogorov (CK) equation for the resulting finite-dimensional stochastic hybrid system. We show how the CK equation can be used to generate a hierarchy of equations for the r-th moments of the stochastic field, which take the form of r-dimensional parabolic PDEs on {{Ω }r} that couple to lower order moments at the boundaries. We explicitly solve the first and second order moment equations (r = 2). We then describe how the r-th moment of the stochastic PDE can be interpreted in terms of the splitting probability that r non-interacting Brownian particles all exit at the same boundary; although the particles are non-interacting, statistical correlations arise due to the fact that they all move in the same randomly switching environment. Hence the stochastic diffusion equation describes two levels of randomness: Brownian motion at the individual particle level and a randomly switching environment. Finally, in the limit of fast switching, we use a quasi-steady state approximation to reduce the piecewise deterministic PDE to an SPDE with multiplicative Gaussian noise in the bulk and a stochastically-driven boundary.

  10. 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.

  11. 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.

  12. Ballistic annihilation and deterministic surface growth

    NASA Astrophysics Data System (ADS)

    Belitsky, Vladimir; Ferrari, Pablo A.

    1995-08-01

    A model of deterministic surface growth studied by Krug and Spohn, a model of the annihilating reaction A+B→inert studied by Elskens and Frisch, a one-dimensional three-color cyclic cellular automaton studied by Fisch, and a particular automaton that has the number 184 in the classification of Wolfram can be studied via a cellular automaton with stochastic initial data called ballistic annihilation. This automaton is defined by the following rules: At time t=0, one particle is put at each integer point of ℝ. To each particle, a velocity is assigned in such a way that it may be either +1 or -1 with probabilities 1/2, independent of the velocities of the other particles. As time goes on, each particle moves along ℝ at the velocity assigned to it and annihilates when it collides with another particle. In the present paper we compute the distribution of this automaton for each time t ∈ ℕ. We then use this result to obtain the hydrodynamic limit for the surface profile from the model of deterministic surface growth mentioned above. We also show the relation of this limit process to the process which we call moving local minimum of Brownian motion. The latter is the process B {/x min}, x ∈ ℝ, defined by B {/x min}≔min{ B y ; x-1≤ y≤ x+1} for every x ∈ ℝ, where B x , x ∈ ℝ, is the standard Brownian motion with B 0=0.

  13. Deterministic Creation of Macroscopic Cat States.

    PubMed

    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

  14. 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. PMID:23231099

  15. 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

  16. 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.

  17. 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. PMID:24551324

  18. 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.

  19. Quantification of Site-Specific Cation Exchange in Metal-Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion

    SciTech Connect

    Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dinc,; #259; Mircea,

    2013-09-23

    We employed multiwavelength anomalous X-ray dispersion to determine the relative cation occupation at two crystallographically distinct metal sites in Fe2+-, Cu2+-, and Zn2+-exchanged versions of the microporous metal–organic framework (MOF) known as MnMnBTT (BTT = 1,3,5-benzenetristetrazolate). By exploiting the dispersive differences between Mn, Fe, Cu, and Zn, the extent and location of cation exchange were determined from single crystal X-ray diffraction data sets collected near the K edges of Mn2+ and of the substituting metal, and at a wavelength remote from either edge as a reference. Comparing the anomalous dispersion between these measurements indicated that the extent of Mn2+ replacement depends on the identity of the substituting metal. We contrasted two unique methods to analyze this data with a conventional approach and evaluated their limitations with emphasis on the general application of this method to other heterometallic MOFs, where site-specific metal identification is fundamental to tuning catalytic and physical properties.

  20. Influence of human activity patterns, particle composition, and residential air exchange rates on modeled distributions of PM2.5 exposure compared with central-site monitoring data.

    PubMed

    Baxter, Lisa K; Burke, Janet; Lunden, Melissa; Turpin, Barbara J; Rich, David Q; Thevenet-Morrison, Kelly; Hodas, Natasha; Ökaynak, Halûk

    2013-01-01

    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 (PM(2.5)). We describe and compare different ambient PM(2.5) exposure estimation approaches that incorporate human activity patterns and time-resolved location-specific particle penetration and persistence indoors. Four approaches were used to estimate exposures to ambient PM(2.5) for application to the New Jersey Triggering of Myocardial Infarction Study. These include: Tier 1, central-site PM(2.5) mass; Tier 2A, the Stochastic Human Exposure and Dose Simulation (SHEDS) model using literature-based air exchange rates (AERs); Tier 2B, the Lawrence Berkeley National Laboratory (LBNL) Aerosol Penetration and Persistence (APP) and Infiltration models; and Tier 3, the SHEDS model where AERs were estimated using the LBNL Infiltration model. Mean exposure estimates from Tier 2A, 2B, and 3 exposure modeling approaches were lower than Tier 1 central-site PM(2.5) mass. Tier 2A estimates differed by season but not across the seven monitoring areas. Tier 2B and 3 geographical patterns appeared to be driven by AERs, while seasonal patterns appeared to be due to variations in PM composition and time activity patterns. These model results demonstrate heterogeneity in exposures that are not captured by the central-site monitor. PMID:23321856

  1. Deterministic, Nanoscale Fabrication of Mesoscale Objects

    SciTech Connect

    Jr., R M; Gilmer, J; Rubenchik, A; Shirk, M

    2004-12-08

    Neither LLNL nor any other organization has the capability to perform deterministic fabrication of mm-sized objects with arbitrary, {micro}m-sized, 3-D features and with 100-nm-scale accuracy and smoothness. This is particularly true for materials such as high explosives and low-density aerogels, as well as materials such as diamond and vanadium. The motivation for this project was to investigate the physics and chemistry that control the interactions of solid surfaces with laser beams and ion beams, with a view towards their applicability to the desired deterministic fabrication processes. As part of this LDRD project, one of our goals was to advance the state of the art for experimental work, but, in order to create ultimately a deterministic capability for such precision micromachining, another goal was to form a new modeling/simulation capability that could also extend the state of the art in this field. We have achieved both goals. In this project, we have, for the first time, combined a 1-D hydrocode (''HYADES'') with a 3-D molecular dynamics simulator (''MDCASK'') in our modeling studies. In FY02 and FY03, we investigated the ablation/surface-modification processes that occur on copper, gold, and nickel substrates with the use of sub-ps laser pulses. In FY04, we investigated laser ablation of carbon, including laser-enhanced chemical reaction on the carbon surface for both vitreous carbon and carbon aerogels. Both experimental and modeling results will be presented in the report that follows. The immediate impact of our investigation was a much better understanding of the chemical and physical processes that ensure when solid materials are exposed to femtosecond laser pulses. More broadly, we have better positioned LLNL to design a cluster tool for fabricating mesoscale objects utilizing laser pulses and ion-beams as well as more traditional machining/manufacturing techniques for applications such as components in NIF targets, remote sensors, including

  2. Statistical properties of deterministic Bernoulli flows

    SciTech Connect

    Radunskaya, A.E.

    1992-12-31

    This thesis presents several new theorems about the stability and the statistical properties of deterministic chaotic flows. Many concrete systems known to exhibit deterministic chaos have so far been shown to be of a class known as Bernoulli Flows. This class of flows is characterized by the Finitely Determined property, which can be checked in specific cases. The first theorem says that these flows can be modeled arbitrarily well for all time by continuous-time finite state Markov processes. In other words it is theoretically possible to model the flow arbitrarily well by a computer equipped with a roulette wheel. There follows a stability result, which says that one can distort the measurements made on the processes without affecting the approximation. These results are than applied to the problem of distinguishing deterministic chaos from stochastic processes in the analysis of time series. The second part of the thesis deals with a specific set of examples. Although it has been possible to analyze specific systems to determine whether they lie in the class of Bernoulli systems, the standard techniques rely on the construction of expanding and contracting fibers in the phase space of the system. These fibers are then used to coordinatize the phase space and to prove the existence of a hyperbolic structure. Unfortunately such methods may fail in the general case, where smoothness conditions and a small singular set cannot be assumed. For example, suppose the standard billiard flow on a square table with a perfectly round obstacle, which is known to be Bernoulli, is replaced by a similar flow on a table with a bumpy fractal-like obstacle: a model perhaps closer to nature. It is shown that these fibers no longer exist and hence cannot be used in the standard manner to prove Bernoulliness or ergodicity. But, one can use the fact that the class of Bernoulli flows is closed in the d-bar metric to show that this billard flow with a bumpy obstacle is in fact Bernoulli.

  3. Carbon and water exchange of a younger, drier deciduous forest compared to the long-term study site at Harvard Forest, Massachusetts

    NASA Astrophysics Data System (ADS)

    Hadley, J. L.; Kuzeja, P. S.

    2004-05-01

    We measured carbon and water exchange by the eddy covariance method at a younger, drier deciduous forest and compared it to the well-known Harvard Forest deciduous site during two growing seasons (2002 and 2003) and an intervening dormant season. Forests at both sites are dominated by red oak (Quercus rubra) and red maple (Acer rubrum), but the younger forest is situated near a hilltop, as opposed to the long-term Harvard Forest site, which is in a lowland area within 100 m of a stream and about 200 m from a bog. The younger forest had a maximum tree age of about 44 years within 200 m of the eddy flux tower (owing to an intense fire in the autumn of 1957); this compares to maximum tree ages of 65 to 90 years, depending on exact location, near the long-term site. The younger, drier forest stored about 1.7 Mg C/ha from May 2002 through April 2003. We estimate that this was about 30% less than annual storage in the older, moister forest at the long-term site, but as the 12-month periods on which this comparison is based are not completely overlapping for the two sites, this comparison may change slightly. Light-saturated net ecosystem carbon uptake of both sites was about 22 μ mol m-2 s-1 in June 2002, but by August the value for the drier site was only about 20 μ mol m-2 s-1 compared to about 24 μ mol m-2 s-1 for the long-term site, suggesting that water availability may have become a limiting factor for photosynthesis in the drier forest. At the younger site in 2003 compared to 2002, we estimated less C storage in May and June but more C storage in July, August and September, with an overall increase in growing season C storage of about 0.4 Mg/ha. Lower early-growing season in carbon storage in 2003 versus 2002 was associated with slightly lower net ecosystem carbon uptake at all light levels in June 2003 compared to a year earlier. Cloudy and cool weather in May and early June 2003 reduced C uptake directly by reducing light available for photosynthesis, and

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    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.

  5. 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…

  6. Fast combinatorial optimization using generalized deterministic annealing

    NASA Astrophysics Data System (ADS)

    Acton, Scott T.; Ghosh, Joydeep; Bovik, Alan C.

    1993-08-01

    Generalized Deterministic Annealing (GDA) is a useful new tool for computing fast multi-state combinatorial optimization of difficult non-convex problems. By estimating the stationary distribution of simulated annealing (SA), GDA yields equivalent solutions to practical SA algorithms while providing a significant speed improvement. Using the standard GDA, the computational time of SA may be reduced by an order of magnitude, and, with a new implementation improvement, Windowed GDA, the time improvements reach two orders of magnitude with a trivial compromise in solution quality. The fast optimization of GDA has enabled expeditious computation of complex nonlinear image enhancement paradigms, such as the Piecewise Constant (PICO) regression examples used in this paper. To validate our analytical results, we apply GDA to the PICO regression problem and compare the results to other optimization methods. Several full image examples are provided that show successful PICO image enhancement using GDA in the presence of both Laplacian and Gaussian additive noise.

  7. Central limit behavior of deterministic dynamical systems

    NASA Astrophysics Data System (ADS)

    Tirnakli, Ugur; Beck, Christian; Tsallis, Constantino

    2007-04-01

    We investigate the probability density of rescaled sums of iterates of deterministic dynamical systems, a problem relevant for many complex physical systems consisting of dependent random variables. A central limit theorem (CLT) is valid only if the dynamical system under consideration is sufficiently mixing. For the fully developed logistic map and a cubic map we analytically calculate the leading-order corrections to the CLT if only a finite number of iterates is added and rescaled, and find excellent agreement with numerical experiments. At the critical point of period doubling accumulation, a CLT is not valid anymore due to strong temporal correlations between the iterates. Nevertheless, we provide numerical evidence that in this case the probability density converges to a q -Gaussian, thus leading to a power-law generalization of the CLT. The above behavior is universal and independent of the order of the maximum of the map considered, i.e., relevant for large classes of critical dynamical systems.

  8. Deterministic multi-zone ice accretion modeling

    NASA Technical Reports Server (NTRS)

    Yamaguchi, K.; Hansman, R. J., Jr.; Kazmierczak, M.

    1991-01-01

    The study focuses on a deterministic model of the surface roughness transition behavior of glaze ice and analyzes the initial smooth/rough transition location, bead formation, and the propagation of the transition location. Based on a 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.

  9. 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.

  10. 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.

  11. Targeted activation in deterministic and stochastic systems

    NASA Astrophysics Data System (ADS)

    Eisenhower, Bryan; Mezić, Igor

    2010-02-01

    Metastable escape is ubiquitous in many physical systems and is becoming a concern in engineering design as these designs (e.g., swarms of vehicles, coupled building energetics, nanoengineering, etc.) become more inspired by dynamics of biological, molecular and other natural systems. In light of this, we study a chain of coupled bistable oscillators which has two global conformations and we investigate how specialized or targeted disturbance is funneled in an inverse energy cascade and ultimately influences the transition process between the conformations. We derive a multiphase averaged approximation to these dynamics which illustrates the influence of actions in modal coordinates on the coarse behavior of this process. An activation condition that predicts how the disturbance influences the rate of transition is then derived. The prediction tools are derived for deterministic dynamics and we also present analogous behavior in the stochastic setting and show a divergence from Kramers activation behavior under targeted activation conditions.

  12. 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

  13. 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.

  14. Development of a deterministic XML schema by resolving structure ambiguity of HL7 messages.

    PubMed

    Huang, Ean-Wen; Wang, Da-Wei; Liou, Der-Ming

    2005-10-01

    Health level 7 (HL7) is a standard for medical information exchange. It defines data transfers for the application systems in the healthcare environment. Alternatively, the extensible markup language (XML) is a standard for data exchange using the Internet. If exchange messages follow the content and the sequence defined by HL7 and are expressed in the XML format, the system may benefit from the advantages of both standards. In creating the XML schema, we found ambiguities in HL7 message structures that cause the XML schema to be non-deterministic. These ambiguous expressions are summarized within 12 structures and can be replaced with equivalent or similar unambiguous structures. The finite state automata are used to verify expression equivalence. Applying this schema, an XML document may eliminate redundant segment group definitions and make the structure simple and easy to reproduce. In this paper, we discuss the methods and our experience in resolving ambiguous problems in HL7 messages to generate a deterministic XML schema. PMID:15993979

  15. Deterministic and non-deterministic switching in chains of magnetic hysterons.

    PubMed

    Tanasa, R; Stancu, A

    2011-10-26

    This paper presents a fundamental analysis of a single-domain ferromagnetic particles chain hysteresis in perpendicular geometry as a prototype for ultra-high density memories. Due to magnetostatic long range interactions the system has a complex hysteresis but stable features can be found. The loop has a number of deterministic Barkhausen jumps and consequently a number of stable plateaus that could be used in multistate memories. The fundamental elements that sustain this behavior are shown and discussed. PMID:21969255

  16. Deterministic Control of two Fermions in a Double Well

    NASA Astrophysics Data System (ADS)

    Lompe, Thomas; Murmann, Simon; Bergschneider, Andrea; Klinkhamer, Vincent; Zuern, Gerhard; Jochim, Selim

    2014-05-01

    The behavior of an ensemble of fermionic particles confined in a periodic potential is one of the richest topics of condensed matter physics. The simplest and most widely used theoretical description of such systems is provided by the Fermi-Hubbard Hamiltonian. We realize this Hamiltonian by deterministically preparing systems of two fermionic atoms trapped in a double well potential in a quantum state of our choice. We have studied the tunneling dynamics of this system as a function of the interparticle interactions and found good agreement with theoretical expectations. We have thus obtained a single-site addressable realization of the Fermi-Hubbard model where all parameters can be fully controlled and freely tuned. As a first experiment we prepared systems of one | ↑ > and one | ↓ > atom in the ground state of the double well, introduced repulsive (attractive) interparticle interactions and observed the crossover into a Mott-insulating (charge-density-wave) regime by measuring the occupation statistics of the individual sites. By adding a third well to the system this approach could be be used to directly observe ordered charge-density-waves and antiferromagnetic ordering. Now at Massachusetts Institute of Technology.

  17. 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

  18. 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.

  19. 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.

  20. Parameterizing atmosphere-land surface exchange for climate models with satellite data: A case study for the Southern Great Plains CART site

    SciTech Connect

    Gao, W.

    1994-01-01

    High-resolution satellite data provide detailed, quantitative descriptions of land surface characteristics over large areas so that objective scale linkage becomes feasible. With the aid of satellite data, Sellers et al. and Wood and Lakshmi examined the linearity of processes scaled up from 30 m to 15 km. If the phenomenon is scale invariant, then the aggregated value of a function or flux is equivalent to the function computed from aggregated values of controlling variables. The linear relation may be realistic for limited land areas having no large surface contrasts to cause significant horizontal exchange. However, for areas with sharp surface contrasts, horizontal exchange and different dynamics in the atmospheric boundary may induce nonlinear interactions, such as at interfaces of land-water, forest-farm land, and irrigated crops-desert steppe. The linear approach, however, represents the simplest scenario, and is useful for developing an effective scheme for incorporating subgrid land surface processes into large-scale models. Our studies focus on coupling satellite data and ground measurements with a satellite-data-driven land surface model to parameterize surface fluxes for large-scale climate models. In this case study, we used surface spectral reflectance data from satellite remote sensing to characterize spatial and temporal changes in vegetation and associated surface parameters in an area of about 350 {times} 400 km covering the southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site of the US Department of Energy`s Atmospheric Radiation Measurement (ARM) Program.

  1. The Structure of RalF, an ADP-Ribosylation Factor Guanine Nucleotide Exchange Factor from Legionella pneumophila, Reveals the Presence of a Cap over the Active Site

    SciTech Connect

    Amor,J.; Swails, J.; Zhu, X.; Roy, C.; Nagai, H.; Ingmundson, A.; Cheng, X.; Kahn, R.

    2005-01-01

    The Legionella pneumophila protein RalF is secreted into host cytosol via the Dot/Icm type IV transporter where it acts to recruit ADP-ribosylation factor (Arf) to pathogen-containing phagosomes in the establishment of a replicative organelle. The presence in RalF of the Sec7 domain, present in all Arf guanine nucleotide exchange factors, has suggested that recruitment of Arf is an early step in pathogenesis. We have determined the crystal structure of RalF and of the isolated Sec7 domain and found that RalF is made up of two domains. The Sec7 domain is homologous to mammalian Sec7 domains. The C-terminal domain forms a cap over the active site in the Sec7 domain and contains a conserved folding motif, previously observed in adaptor subunits of vesicle coat complexes. The importance of the capping domain and of the glutamate in the 'glutamic finger,' conserved in all Sec7 domains, to RalF functions was examined using three different assays. These data highlight the functional importance of domains other than Sec7 in Arf guanine nucleotide exchange factors to biological activities and suggest novel mechanisms of regulation of those activities.

  2. 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. PMID:26485278

  3. 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

  4. 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. PMID:27464172

  5. 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.

  6. 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.

  7. Simple Deterministically Constructed Recurrent Neural Networks

    NASA Astrophysics Data System (ADS)

    Rodan, Ali; Tiňo, Peter

    A large number of models for time series processing, forecasting or modeling follows a state-space formulation. Models in the specific class of state-space approaches, referred to as Reservoir Computing, fix their state-transition function. The state space with the associated state transition structure forms a reservoir, which is supposed to be sufficiently complex so as to capture a large number of features of the input stream that can be potentially exploited by the reservoir-to-output readout mapping. The largely "black box" character of reservoirs prevents us from performing a deeper theoretical investigation of the dynamical properties of successful reservoirs. Reservoir construction is largely driven by a series of (more-or-less) ad-hoc randomized model building stages, with both the researchers and practitioners having to rely on a series of trials and errors. We show that a very simple deterministically constructed reservoir with simple cycle topology gives performances comparable to those of the Echo State Network (ESN) on a number of time series benchmarks. Moreover, we argue that the memory capacity of such a model can be made arbitrarily close to the proved theoretical limit.

  8. Deterministic particle transport in a ratchet flow

    NASA Astrophysics Data System (ADS)

    Beltrame, Philippe; Makhoul, Mounia; Joelson, Maminirina

    2016-01-01

    This study is motivated by the issue of the pumping of particle through a periodic modulated channel. We focus on a simplified deterministic model of small inertia particles within the Stokes flow framework that we call "ratchet flow." A path-following method is employed in the parameter space in order to retrace the scenario which from bounded periodic solutions leads to particle transport. Depending on whether the magnitude of the particle drag is moderate or large, two main transport mechanisms are identified in which the role of the parity symmetry of the flow differs. For large drag, transport is induced by flow asymmetry, while for moderate drag, since the full transport solution bifurcation structure already exists for symmetric settings, flow asymmetry only makes the transport effective. We analyzed the scenarios of current reversals for each mechanism as well as the role of synchronization. In particular we show that, for large drag, the particle drift is similar to phase slip in a synchronization problem.

  9. 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.

  10. 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.

  11. 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

  12. Hydrogen/Deuterium Exchange Kinetics Demonstrate Long Range Allosteric Effects of Thumb Site 2 Inhibitors of Hepatitis C Viral RNA-dependent RNA Polymerase.

    PubMed

    Deredge, Daniel; Li, Jiawen; Johnson, Kenneth A; Wintrode, Patrick L

    2016-05-01

    New nonnucleoside analogs are being developed as part of a multi-drug regimen to treat hepatitis C viral infections. Particularly promising are inhibitors that bind to the surface of the thumb domain of the viral RNA-dependent RNA polymerase (NS5B). Numerous crystal structures have been solved showing small molecule non-nucleoside inhibitors bound to the hepatitis C viral polymerase, but these structures alone do not define the mechanism of inhibition. Our prior kinetic analysis showed that nonnucleoside inhibitors binding to thumb site-2 (NNI2) do not block initiation or elongation of RNA synthesis; rather, they block the transition from the initiation to elongation, which is thought to proceed with significant structural rearrangement of the enzyme-RNA complex. Here we have mapped the effect of three NNI2 inhibitors on the conformational dynamics of the enzyme using hydrogen/deuterium exchange kinetics. All three inhibitors rigidify an extensive allosteric network extending >40 Å from the binding site, thus providing a structural rationale for the observed disruption of the transition from distributive initiation to processive elongation. The two more potent inhibitors also suppress slow cooperative unfolding in the fingers extension-thumb interface and primer grip, which may contribute their stronger inhibition. These results establish that NNI2 inhibitors act through long range allosteric effects, reveal important conformational changes underlying normal polymerase function, and point the way to the design of more effective allosteric inhibitors that exploit this new information. PMID:27006396

  13. 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.

  14. Self-avoiding modes of motion in a deterministic Lorentz lattice gas

    NASA Astrophysics Data System (ADS)

    Webb, B. Z.; Cohen, E. G. D.

    2014-08-01

    We study the motion of a particle on the two-dimensional honeycomb lattice, whose sites are occupied by either flipping rotators or flipping mirrors, which scatter the particle according to a deterministic rule. For both types of scatterers we find a new type of motion that has not been observed in a Lorentz Lattice gas, where the particle's trajectory is a self-avoiding walk between returns to its initial position. We show that this behavior is a consequence of the deterministic scattering rule and the particular class of initial scatterer configurations we consider. Since self-avoiding walks are one of the main tools used to model the growth of crystals and polymers, the particle's motion in this class of systems is potentially important for the study of these processes.

  15. Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

    DOEpatents

    Melechko, Anatoli V.; McKnight, Timothy E. , Guillorn, Michael A.; Ilic, Bojan; Merkulov, Vladimir I.; Doktycz, Mitchel J.; Lowndes, Douglas H.; Simpson, Michael L.

    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. PMID:21164839

  17. Neo-deterministic seismic hazard assessment in North Africa

    NASA Astrophysics Data System (ADS)

    Mourabit, T.; Abou Elenean, K. M.; Ayadi, A.; Benouar, D.; Ben Suleman, A.; Bezzeghoud, M.; Cheddadi, A.; Chourak, M.; ElGabry, M. N.; Harbi, A.; Hfaiedh, M.; Hussein, H. M.; Kacem, J.; Ksentini, A.; Jabour, N.; Magrin, A.; Maouche, S.; Meghraoui, M.; Ousadou, F.; Panza, G. F.; Peresan, A.; Romdhane, N.; Vaccari, F.; Zuccolo, E.

    2014-04-01

    North Africa is one of the most earthquake-prone areas of the Mediterranean. Many devastating earthquakes, some of them tsunami-triggering, inflicted heavy loss of life and considerable economic damage to the region. In order to mitigate the destructive impact of the earthquakes, the regional seismic hazard in North Africa is assessed using the neo-deterministic, multi-scenario methodology (NDSHA) based on the computation of synthetic seismograms, using the modal summation technique, at a regular grid of 0.2 × 0.2°. This is the first study aimed at producing NDSHA maps of North Africa including five countries: Morocco, Algeria, Tunisia, Libya, and Egypt. The key input data for the NDSHA algorithm are earthquake sources, seismotectonic zonation, and structural models. In the preparation of the input data, it has been really important to go beyond the national borders and to adopt a coherent strategy all over the area. Thanks to the collaborative efforts of the teams involved, it has been possible to properly merge the earthquake catalogues available for each country to define with homogeneous criteria the seismogenic zones, the characteristic focal mechanism associated with each of them, and the structural models used to model wave propagation from the sources to the sites. As a result, reliable seismic hazard maps are produced in terms of maximum displacement ( D max), maximum velocity ( V max), and design ground acceleration.

  18. Deterministic, Nanoscale Fabrication of Mesoscale Objects

    SciTech Connect

    Jr., R M; Shirk, M; Gilmer, G; Rubenchik, A

    2004-09-24

    Neither LLNL nor any other organization has the capability to perform deterministic fabrication of mm-sized objects with arbitrary, {micro}m-sized, 3-dimensional features with 20-nm-scale accuracy and smoothness. This is particularly true for materials such as high explosives and low-density aerogels. For deterministic fabrication of high energy-density physics (HEDP) targets, it will be necessary both to fabricate features in a wide variety of materials as well as to understand and simulate the fabrication process. We continue to investigate, both in experiment and in modeling, the ablation/surface-modification processes that occur with the use of laser pulses that are near the ablation threshold fluence. During the first two years, we studied ablation of metals, and we used sub-ps laser pulses, because pulses shorter than the electron-phonon relaxation time offered the most precise control of the energy that can be deposited into a metal surface. The use of sub-ps laser pulses also allowed a decoupling of the energy-deposition process from the ensuing movement/ablation of the atoms from the solid, which simplified the modeling. We investigated the ablation of material from copper, gold, and nickel substrates. We combined the power of the 1-D hydrocode ''HYADES'' with the state-of-the-art, 3-D molecular dynamics simulations ''MDCASK'' in our studies. For FY04, we have stretched ourselves to investigate laser ablation of carbon, including chemically-assisted processes. We undertook this research, because the energy deposition that is required to perform direct sublimation of carbon is much higher than that to stimulate the reaction 2C + O{sub 2} => 2CO. Thus, extremely fragile carbon aerogels might survive the chemically-assisted process more readily than ablation via direct laser sublimation. We had planned to start by studying vitreous carbon and move onto carbon aerogels. We were able to obtain flat, high-quality vitreous carbon, which was easy to work on

  19. Influence of cation substitution and activator site exchange on the photoluminescence properties of Eu3+-doped quaternary pyrochlore oxides.

    PubMed

    Mahesh, S K; Rao, P Prabhakar; Thomas, Mariyam; Francis, T Linda; Koshy, Peter

    2013-12-01

    Stannate-based pyrochlore-type red phosphors CaGd(1-x)SnNbO7:xEu(3+), Ca(1-y)Sr(y)Gd(1-x)SnNbO7:xEu(3+), and Ca(0.8-x)Sr0.2GdSnNbO(7+δ): xEu(3+) were prepared via conventional solid-state method. Influence of cation substitution and activator site control on the photoluminescence properties of these phosphors are elucidated using powder X-ray diffraction, Rietveld analysis, Raman spectrum analysis, and photoluminescence excitation and emission spectra. The Eu(3+) luminescence in quaternary pyrochlore lattice exemplifies as a very good structural probe for the detection of short-range disorder in the lattice, which otherwise is not detected by normal powder X-ray diffraction technique. The Eu(3+) emission due to magnetic dipole transition ((5)D0-(7)F1 MD) is modified with the increase in europium concentration in the quaternary pyrochlore red phosphors. (5)D0-(7)F1 MD transition splitting is not observable for low Eu(3+) doping because of the short-range disorder in the pyrochlore lattice. Appearance of narrow peaks in Raman spectra confirms that short-range disorder in the crystal lattice disappears with progressive europium doping. By using Sr as a network modifier ion in place of Ca we were able to increase the f-f transition intensities and europium quenching concentration. The influence of effective positive charge of the central Eu(3+) ions when it replaces a metal ion having lower oxidation state such as Ca(2+) was also investigated. The relative intensities of A1g (∼500 cm(-1)) and F2g (∼330 cm(-1)) Raman vibrational modes get inverted when Eu(3+) ions replaces Ca(2+) ions instead of Gd(3+) as trivalent europium ions can attract the electron cloud of oxygen ions strongly in comparison with divalent calcium ions. The influence of positive charge effect of Eu(3+) in Ca0.7Sr0.2GdSnNbO7+δ:0.1Eu(3+) phosphor is greatly strengthened the charge transfer band and (7)F0-(5)L6 transition intensities than that of the Ca0.8Sr0.2Gd0.9SnNbO7:0.1Eu(3+) phosphor. Our

  20. 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.

  1. 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.

  2. 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. PMID:26712510

  3. Deterministic Function Computation with Chemical Reaction Networks*

    PubMed Central

    Chen, Ho-Lin; Doty, David; Soloveichik, David

    2013-01-01

    Chemical reaction networks (CRNs) formally model chemistry in a well-mixed solution. CRNs are widely used to describe information processing occurring in natural cellular regulatory networks, and with upcoming advances in synthetic biology, CRNs are a promising language for the design of artificial molecular control circuitry. Nonetheless, despite the widespread use of CRNs in the natural sciences, the range of computational behaviors exhibited by CRNs is not well understood. CRNs have been shown to be efficiently Turing-universal (i.e., able to simulate arbitrary algorithms) when allowing for a small probability of error. CRNs that are guaranteed to converge on a correct answer, on the other hand, have been shown to decide only the semilinear predicates (a multi-dimensional generalization of “eventually periodic” sets). We introduce the notion of function, rather than predicate, computation by representing the output of a function f : ℕk → ℕl by a count of some molecular species, i.e., if the CRN starts with x1, …, xk molecules of some “input” species X1, …, Xk, the CRN is guaranteed to converge to having f(x1, …, xk) molecules of the “output” species Y1, …, Yl. We show that a function f : ℕk → ℕl is deterministically computed by a CRN if and only if its graph {(x, y) ∈ ℕk × ℕl ∣ f(x) = y} is a semilinear set. Finally, we show that each semilinear function f (a function whose graph is a semilinear set) can be computed by a CRN on input x in expected time O(polylog ∥x∥1). PMID:25383068

  4. 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.

  5. A Method to Separate Stochastic and Deterministic Information from Electrocardiograms

    NASA Astrophysics Data System (ADS)

    Gutiérrez, R. M.; Sandoval, L. A.

    2005-01-01

    In this work we present a new idea to develop a method to separate stochastic and deterministic information contained in an electrocardiogram, ECG, which may provide new sources of information with diagnostic purposes. We assume that the ECG has information corresponding to many different processes related with the cardiac activity as well as contamination from different sources related with the measurement procedure and the nature of the observed system itself. The method starts with the application of an improved archetypal analysis to separate the mentioned stochastic and deterministic information. From the stochastic point of view we analyze Renyi entropies, and with respect to the deterministic perspective we calculate the autocorrelation function and the corresponding correlation time. We show that healthy and pathologic information may be stochastic and/or deterministic, can be identified by different measures and located in different parts of the ECG.

  6. Integral-transport-based deterministic brachytherapy dose calculations

    NASA Astrophysics Data System (ADS)

    Zhou, Chuanyu; Inanc, Feyzi

    2003-01-01

    We developed a transport-equation-based deterministic algorithm for computing three-dimensional brachytherapy dose distributions. The deterministic algorithm has been based on the integral transport equation. The algorithm provided us with the capability of computing dose distributions for multiple isotropic point and/or volumetric sources in a homogenous/heterogeneous medium. The algorithm results have been benchmarked against the results from the literature and MCNP results for isotropic point sources and volumetric sources.

  7. HyDRa: control of parameters for deterministic polishing.

    PubMed

    Ruiz, E; Salas, L; Sohn, E; Luna, E; Herrera, J; Quiros, F

    2013-08-26

    Deterministic hydrodynamic polishing with HyDRa requires a precise control of polishing parameters, such as propelling air pressure, slurry density, slurry flux and tool height. We describe the HyDRa polishing system and prove how precise, deterministic polishing can be achieved in terms of the control of these parameters. The polishing results of an 84 cm hyperbolic mirror are presented to illustrate how the stability of these parameters is important to obtain high-quality surfaces. PMID:24105579

  8. 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

  9. Conformational changes of the glucocorticoid receptor ligand binding domain induced by ligand and cofactor binding, and the location of cofactor binding sites determined by hydrogen/deuterium exchange mass spectrometry

    PubMed Central

    Frego, Lee; Davidson, Walter

    2006-01-01

    HXMS (hydrogen/deuterium exchange mass spectrometry) of the glucocorticoid receptor ligand-binding domain (GR LBD) complexed with the agonist dexamethasone and the antagonist RU-486 is described. Variations in the rates of exchange were observed in regions consistent with the published crystal structures of GR LBD complexed with RU-486 when compared with the GR dexamethasone complex. We also report the HXMS results for agonist-bound GR LBD with the coactivator transcriptional intermediary factor 2 (TIF2) and anatagonist-bound GR LBD with nuclear receptor corepressor (NCoR). Alterations in exchange rates observed for agonist-bound GR LBD with TIF2 present were consistent with the published crystal structural contacts for the complex. Alterations in exchange rates observed for antagonist-bound GR LBD with NCoR were a subset of those observed with TIF2 binding, suggesting a common or overlapping binding site for coactivator and corepressor. PMID:16600964

  10. 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.

  11. 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.

  12. DNA Interactions Probed by Hydrogen-Deuterium Exchange (HDX) Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Confirm External Binding Sites on the Minichromosomal Maintenance (MCM) Helicase.

    PubMed

    Graham, Brian W; Tao, Yeqing; Dodge, Katie L; Thaxton, Carly T; Olaso, Danae; Young, Nicolas L; Marshall, Alan G; Trakselis, Michael A

    2016-06-10

    The archaeal minichromosomal maintenance (MCM) helicase from Sulfolobus solfataricus (SsoMCM) is a model for understanding structural and mechanistic aspects of DNA unwinding. Although interactions of the encircled DNA strand within the central channel provide an accepted mode for translocation, interactions with the excluded strand on the exterior surface have mostly been ignored with regard to DNA unwinding. We have previously proposed an extension of the traditional steric exclusion model of unwinding to also include significant contributions with the excluded strand during unwinding, termed steric exclusion and wrapping (SEW). The SEW model hypothesizes that the displaced single strand tracks along paths on the exterior surface of hexameric helicases to protect single-stranded DNA (ssDNA) and stabilize the complex in a forward unwinding mode. Using hydrogen/deuterium exchange monitored by Fourier transform ion cyclotron resonance MS, we have probed the binding sites for ssDNA, using multiple substrates targeting both the encircled and excluded strand interactions. In each experiment, we have obtained >98.7% sequence coverage of SsoMCM from >650 peptides (5-30 residues in length) and are able to identify interacting residues on both the interior and exterior of SsoMCM. Based on identified contacts, positively charged residues within the external waist region were mutated and shown to generally lower DNA unwinding without negatively affecting the ATP hydrolysis. The combined data globally identify binding sites for ssDNA during SsoMCM unwinding as well as validating the importance of the SEW model for hexameric helicase unwinding. PMID:27044751

  13. Deterministic assembly processes govern bacterial community structure in the Fynbos, South Africa.

    PubMed

    Moroenyane, I; Chimphango, S B M; Wang, J; Kim, H-K; Adams, Jonathan Miles

    2016-08-01

    The Mediterranean Fynbos vegetation of South Africa is well known for its high levels of diversity, endemism, and the existence of very distinct plant communities on different soil types. Studies have documented the broad taxonomic classification and diversity patterns of soil microbial diversity, but none has focused on the community assembly processes. We hypothesised that bacterial phylogenetic community structure in the Fynbos is highly governed by deterministic processes. We sampled soils in four Fynbos vegetation types and examined bacterial communities using Illumina HiSeq platform with the 16S rRNA gene marker. UniFrac analysis showed that the community clustered strongly by vegetation type, suggesting a history of evolutionary specialisation in relation to habitats or plant communities. The standardised beta mean nearest taxon distance (ses. β NTD) index showed no association with vegetation type. However, the overall phylogenetic signal indicates that distantly related OTUs do tend to co-occur. Both NTI (nearest taxon index) and ses. β NTD deviated significantly from null models, indicating that deterministic processes were important in the assembly of bacterial communities. Furthermore, ses. β NTD was significantly higher than that of null expectations, indicating that co-occurrence of related bacterial lineages (over-dispersion in phylogenetic beta diversity) is determined by the differences in environmental conditions among the sites, even though the co-occurrence pattern did not correlate with any measured environmental parameter, except for a weak correlation with soil texture. We suggest that in the Fynbos, there are frequent shifts of niches by bacterial lineages, which then become constrained and evolutionary conserved in their new environments. Overall, this study sheds light on the relative roles of both deterministic and neutral processes in governing bacterial communities in the Fynbos. It seems that deterministic processes play a major

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    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.

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

    NASA Astrophysics Data System (ADS)

    Majda, Andrew J.; Tong, Xin T.

    2016-05-01

    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.

  17. 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. PMID:27224086

  18. 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.

  19. 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.

  20. DETERMINISTIC TRANSPORT METHODS AND CODES AT LOS ALAMOS

    SciTech Connect

    J. E. MOREL

    1999-06-01

    The purposes of this paper are to: Present a brief history of deterministic transport methods development at Los Alamos National Laboratory from the 1950's to the present; Discuss the current status and capabilities of deterministic transport codes at Los Alamos; and Discuss future transport needs and possible future research directions. Our discussion of methods research necessarily includes only a small fraction of the total research actually done. The works that have been included represent a very subjective choice on the part of the author that was strongly influenced by his personal knowledge and experience. The remainder of this paper is organized in four sections: the first relates to deterministic methods research performed at Los Alamos, the second relates to production codes developed at Los Alamos, the third relates to the current status of transport codes at Los Alamos, and the fourth relates to future research directions at Los Alamos.

  1. Deterministic transformations of multipartite entangled states with tensor rank 2

    SciTech Connect

    Turgut, S.; Guel, Y.; Pak, N. K.

    2010-01-15

    Transformations involving only local operations assisted with classical communication are investigated for multipartite entangled pure states having tensor rank 2. All necessary and sufficient conditions for the possibility of deterministically converting truly multipartite, rank-2 states into each other are given. Furthermore, a chain of local operations that successfully achieves the transformation has been identified for all allowed transformations. The identified chains have two nice features: (1) each party needs to carry out at most one local operation and (2) all of these local operations are also deterministic transformations by themselves. Finally, it is found that there are disjoint classes of states, all of which can be identified by a single real parameter, which remain invariant under deterministic transformations.

  2. 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.

  3. 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.

  4. Exchange fluctuation theorem for correlated quantum systems.

    PubMed

    Jevtic, Sania; Rudolph, Terry; Jennings, David; Hirono, Yuji; Nakayama, Shojun; Murao, Mio

    2015-10-01

    We extend the exchange fluctuation theorem for energy exchange between thermal quantum systems beyond the assumption of molecular chaos, and describe the nonequilibrium exchange dynamics of correlated quantum states. The relation quantifies how the tendency for systems to equilibrate is modified in high-correlation environments. In addition, a more abstract approach leads us to a "correlation fluctuation theorem". Our results elucidate the role of measurement disturbance for such scenarios. We show a simple application by finding a semiclassical maximum work theorem in the presence of correlations. We also present a toy example of qubit-qudit heat exchange, and find that non-classical behaviour such as deterministic energy transfer and anomalous heat flow are reflected in our exchange fluctuation theorem. PMID:26565174

  5. 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

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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

  8. Deterministic conversion between memory and threshold resistive switching via tuning the strong electron correlation

    PubMed Central

    Peng, Hai Yang; Li, Yong Feng; Lin, Wei Nan; Wang, Yu Zhan; Gao, Xing Yu; Wu, Tom

    2012-01-01

    Intensive investigations have been launched worldwide on the resistive switching (RS) phenomena in transition metal oxides due to both fascinating science and potential applications in next generation nonvolatile resistive random access memory (RRAM) devices. It is noteworthy that most of these oxides are strongly correlated electron systems, and their electronic properties are critically affected by the electron-electron interactions. Here, using NiO as an example, we show that rationally adjusting the stoichiometry and the associated defect characteristics enables controlled room temperature conversions between two distinct RS modes, i.e., nonvolatile memory switching and volatile threshold switching, within a single device. Moreover, from first-principles calculations and x-ray absorption spectroscopy studies, we found that the strong electron correlations and the exchange interactions between Ni and O orbitals play deterministic roles in the RS operations. PMID:22679556

  9. 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.

  10. 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.

  11. A difference characteristic for one-dimensional deterministic systems

    NASA Astrophysics Data System (ADS)

    Shahverdian, A. Yu.; Apkarian, A. V.

    2007-06-01

    A numerical characteristic for one-dimensional deterministic systems reflecting its higher order difference structure is introduced. The comparison with Lyapunov exponent is given. A difference analogy for Eggleston theorem as well as an estimate for Hausdorff dimension of the difference attractor, formulated in terms of the new characteristic is proved.

  12. Techniques to quantify the sensitivity of deterministic model uncertainties

    SciTech Connect

    Ishigami, T. ); Cazzoli, E. . Nuclear Energy Dept.); Khatib-Rahbar ); Unwin, S.D. )

    1989-04-01

    Several existing methods for the assessment of the sensitivity of output uncertainty distributions generated by deterministic computer models to the uncertainty distributions assigned to the input parameters are reviewed and new techniques are proposed. Merits and limitations of the various techniques are examined by detailed application to the suppression pool aerosol removal code (SPARC).

  13. 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.

  14. From deterministic cellular automata to coupled map lattices

    NASA Astrophysics Data System (ADS)

    García-Morales, Vladimir

    2016-07-01

    A general mathematical method is presented for the systematic construction of coupled map lattices (CMLs) out of deterministic cellular automata (CAs). The entire CA rule space is addressed by means of a universal map for CAs that we have recently derived and that is not dependent on any freely adjustable parameters. The CMLs thus constructed are termed real-valued deterministic cellular automata (RDCA) and encompass all deterministic CAs in rule space in the asymptotic limit κ \\to 0 of a continuous parameter κ. Thus, RDCAs generalize CAs in such a way that they constitute CMLs when κ is finite and nonvanishing. In the limit κ \\to ∞ all RDCAs are shown to exhibit a global homogeneous fixed-point that attracts all initial conditions. A new bifurcation is discovered for RDCAs and its location is exactly determined from the linear stability analysis of the global quiescent state. In this bifurcation, fuzziness gradually begins to intrude in a purely deterministic CA-like dynamics. The mathematical method presented allows to get insight in some highly nontrivial behavior found after the bifurcation.

  15. Judicious Imitation: Children Differentially Imitate Deterministically and Probabilistically Effective Actions

    ERIC Educational Resources Information Center

    Schulz, Laura E.; Hooppell, Catherine; Jenkins, Adrianna C.

    2008-01-01

    Three studies look at whether the assumption of causal determinism (the assumption that all else being equal, causes generate effects deterministically) affects children's imitation of modeled actions. These studies show even when the frequency of an effect is matched, both preschoolers (N = 60; M = 56 months) and toddlers (N = 48; M = 18 months)…

  16. 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. PMID:19257417

  17. 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…

  18. 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.

  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. Relevance of deterministic structures for modeling of transport: the Lauswiesen case study.

    PubMed

    Händel, Falk; Dietrich, Peter

    2012-01-01

    Knowledge of site-specific contaminant transport processes is an essential requirement for performing various tasks concerning the protection and management of groundwater resources. However, prediction of their behavior is often difficult, especially in heterogeneous aquifers because of the lack of information about flow- and transport-governing subsurface structures and parameters. Hence, stochastic approaches have been developed and frequently used. However, extensive modeling studies on sedimentary structures have shown that consideration of hydrogeological subunits and their distribution can be essential for transport modeling. A case study from the intensely investigated Lauswiesen site is used to demonstrate that more accurate predictions are possible with improved knowledge of deterministic structures. Results of this case study using direct-push injection logging (DPIL) provide a more reliable characterization of hydraulic conductivity than sieve and flow meter data. PMID:22582812

  1. 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.

  2. Deterministic blade row interactions in a centrifugal compressor stage

    NASA Technical Reports Server (NTRS)

    Kirtley, K. R.; Beach, T. A.

    1991-01-01

    The three-dimensional viscous flow in a low speed centrifugal compressor stage is simulated using an average passage Navier-Stokes analysis. The impeller discharge flow is of the jet/wake type with low momentum fluid in the shroud-pressure side corner coincident with the tip leakage vortex. This nonuniformity introduces periodic unsteadiness in the vane frame of reference. The effect of such deterministic unsteadiness on the time-mean is included in the analysis through the average passage stress, which allows the analysis of blade row interactions. The magnitude of the divergence of the deterministic unsteady stress is of the order of the divergence of the Reynolds stress over most of the span, from the impeller trailing edge to the vane throat. Although the potential effects on the blade trailing edge from the diffuser vane are small, strong secondary flows generated by the impeller degrade the performance of the diffuser vanes.

  3. 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.

  4. 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.

  5. Deterministic synthesis of mechanical NOON states in ultrastrong optomechanics

    NASA Astrophysics Data System (ADS)

    Macrí, V.; Garziano, L.; Ridolfo, A.; Di Stefano, O.; Savasta, S.

    2016-07-01

    We propose a protocol for the deterministic preparation of entangled NOON mechanical states. The system is constituted by two identical, optically coupled optomechanical systems. The protocol consists of two steps. In the first, one of the two optical resonators is excited by a resonant external π -like Gaussian optical pulse. When the optical excitation coherently partly transfers to the second cavity, the second step starts. It consists of sending simultaneously two additional π -like Gaussian optical pulses, one at each optical resonator, with specific frequencies. In the optomechanical ultrastrong coupling regime, when the coupling strength becomes a significant fraction of the mechanical frequency, we show that NOON mechanical states with quite high Fock states can be deterministically obtained. The operating range of this protocol is carefully analyzed. Calculations have been carried out taking into account the presence of decoherence, thermal noise, and imperfect cooling.

  6. 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.

  7. Evaluation the initial estimators using deterministic minimum covariance determinant algorithm

    NASA Astrophysics Data System (ADS)

    Alrawashdeh, Mufda Jameel; Sabri, Shamsul Rijal Muhammad; Ismail, Mohd Tahir

    2014-07-01

    The aim of the study is to examine five initial estimators introduced by Hubert et al. [1] with five additional new initial estimators by using the Deterministic Minimum Covariance Determinant algorithm, DetMCD. The objective of the DetMCD is to robustify the location and scatter matrix parameters. Since these parameters are highly influenced by the presence of outliers, the DetMCD is a newly highly robust algorithm, where it is constructed to overcome the outlier's problem. DetMCD precedes the non-random subsets, which computes a small number of deterministic initial estimators and followed by concentration steps. Here, we are going to compare the DetMCD algorithm based on two groups of estimators - one with original five Huberts' estimators and the other five new estimators. The determinant values of these estimators are observed to evaluate the performance via several cases.

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

    PubMed

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

    2016-01-01

    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. PMID:26861681

  9. 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.

  10. Deterministic error correction for nonlocal spatial-polarization hyperentanglement

    PubMed Central

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

    2016-01-01

    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. PMID:26861681

  11. 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.

  12. Emergence of four dimensional quantum mechanics from a deterministic theory in 11 dimensions

    NASA Astrophysics Data System (ADS)

    Doyen, G.; Drakova, D.

    2015-07-01

    We develop a deterministic theory which accounts for the coupling of a high dimensional continuum of environmental excitations (called gravonons) to massive particle in a very localized and very weak fashion. For the model presented Schrödinger's equation can be solved practically exactly in 11 spacetime dimensions and the result demonstrates that as a function of time an incoming matter wave incident on a screen extinguishes, except at a single interaction center on the detection screen. This transition is reminiscent of the wave - particle duality arising from the ’’collapse” (also called ’’process one”) postulated in the Copenhagen-von Neumann interpretation. In our theory it is replaced by a sticking process of the particle from the vacuum to the surface of the detection screen. This situation was verified in experiments by using massive molecules. In our theory this ”wave-particle transition” is connected to the different dimensionalities of the space for particle motion and the gravonon dynamics, the latter propagating in the hidden dimensions of 11 dimensional spacetime. The fact that the particle is detected at apparently statistically determined points on the screen is traced back to the weakness and locality of the interaction with the gravonons which allows coupling on the energy shell alone. Although the theory exhibits a completely deterministic ”chooser” mechanism for single site sticking, an apparent statistical character results, as it is found in the experiments, due to small heterogeneities in the atomic and gravonon structures.

  13. 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. PMID:26515172

  14. Nano transfer and nanoreplication using deterministically grown sacrificial nanotemplates

    DOEpatents

    Melechko, Anatoli V.; McKnight, Timothy E.; Guillorn, Michael A.; Ilic, Bojan; Merkulov, Vladimir I.; Doktycz, Mitchel J.; Lowndes, Douglas H.; Simpson, Michael L.

    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.

  15. 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.

  16. Deterministic entanglement of two neutral atoms via Rydberg blockade

    SciTech Connect

    Zhang, X. L.; Isenhower, L.; Gill, A. T.; Walker, T. G.; Saffman, M.

    2010-09-15

    We demonstrate the deterministic entanglement of two individually addressed neutral atoms using a Rydberg blockade mediated controlled-not gate. Parity oscillation measurements reveal a Bell state fidelity of F=0.58{+-}0.04, which is above the entanglement threshold of F=0.5, without any correction for atom loss, and F=0.71{+-}0.05 after correcting for background collisional losses. The fidelity results are shown to be in good agreement with a detailed error model.

  17. Spatiotemporal calibration and resolution refinement of output from deterministic models.

    PubMed

    Gilani, Owais; McKay, Lisa A; Gregoire, Timothy G; Guan, Yongtao; Leaderer, Brian P; Holford, Theodore R

    2016-06-30

    Spatiotemporal calibration of output from deterministic models is an increasingly popular tool to more accurately and efficiently estimate the true distribution of spatial and temporal processes. Current calibration techniques have focused on a single source of data on observed measurements of the process of interest that are both temporally and spatially dense. Additionally, these methods often calibrate deterministic models available in grid-cell format with pixel sizes small enough that the centroid of the pixel closely approximates the measurement for other points within the pixel. We develop a modeling strategy that allows us to simultaneously incorporate information from two sources of data on observed measurements of the process (that differ in their spatial and temporal resolutions) to calibrate estimates from a deterministic model available on a regular grid. This method not only improves estimates of the pollutant at the grid centroids but also refines the spatial resolution of the grid data. The modeling strategy is illustrated by calibrating and spatially refining daily estimates of ambient nitrogen dioxide concentration over Connecticut for 1994 from the Community Multiscale Air Quality model (temporally dense grid-cell estimates on a large pixel size) using observations from an epidemiologic study (spatially dense and temporally sparse) and Environmental Protection Agency monitoring stations (temporally dense and spatially sparse). Copyright © 2016 John Wiley & Sons, Ltd. PMID:26790617

  18. 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.

  19. Deterministic generation of remote entanglement with active quantum feedback

    DOE PAGESBeta

    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 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

  20. Circulant Graph Modeling Deterministic Small-World Networks

    NASA Astrophysics Data System (ADS)

    Zhao, Chenggui

    In recent years, many research works have revealed some technological networks including internet to be small-world networks, which is attracting attention from computer scientists. One can decide if or not a real network is Small-world by whether it has high local clustering and small average path distance which are the two distinguishing characteristics of small-world networks. So far, researchers have presented many small-world models by dynamically evolving a deterministic network into a small world one by stochastic adding vertices and edges to original networks. Rather few works focused on deterministic models. In this paper, as a important kind of Cayley graph, the circulant graph is proposed as models of deterministic small-world networks, thinking if its simple structures and significant adaptability. It shows circulant graph constructed in this document takes on the two expected characteristics of small word. This work should be useful because circulant graph has serviced as some models of communication and computer networks. The small world characteristic will be helpful to design and analysis of structure and performance.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Demographic noise can reverse the direction of deterministic selection.

    PubMed

    Constable, George W A; Rogers, Tim; McKane, Alan J; Tarnita, Corina E

    2016-08-01

    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 [Formula: see text] theory, by which small populations can evolve to higher densities in the absence of disturbance. PMID:27450085

  6. Single crystal-to-single crystal site-selective postsynthetic metal exchange in a Zn-MOF based on semi-rigid tricarboxylic acid and access to bimetallic MOFs.

    PubMed

    Bajpai, Alankriti; Chandrasekhar, Pujari; Govardhan, Savitha; Banerjee, Rahul; Moorthy, Jarugu Narasimha

    2015-02-01

    The metal ions in a neutral Zn-MOF constructed from tritopic triacid H3 L with inherent concave features, rigid core, and peripheral flexibility are found to exist in two distinct SBUs, that is, 0D and 1D. This has allowed site-selective postsynthetic metal exchange (PSME) to be investigated and reactivities of the metal ions in two different environments in coordination polymers to be contrasted for the first time. Site-selective transmetalation of Zn ions in the discrete environment is shown to occur in a single crystal-to-single crystal (SCSC) fashion, with metal ions such as Fe(3+) , Ru(3+) , Cu(2+) , Co(2+) , etc., whereas those that are part of 1D SBU sustain structural integrity, leading to novel bimetallic MOFs, which are inaccessible by conventional approaches. To the best of our knowledge, site-selective postsynthetic exchange of an intraframework metal ion in a MOF that contains metal ions in discrete as well as polymeric SBUs is heretofore unprecedented. PMID:25533890

  7. 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

    2016-01-01

    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. PMID:26651267

  8. 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

  9. 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. PMID:26496618

  10. Deterministic and Nondeterministic Behavior of Earthquakes and Hazard Mitigation Strategy

    NASA Astrophysics Data System (ADS)

    Kanamori, H.

    2014-12-01

    Earthquakes exhibit both deterministic and nondeterministic behavior. Deterministic behavior is controlled by length and time scales such as the dimension of seismogenic zones and plate-motion speed. Nondeterministic behavior is controlled by the interaction of many elements, such as asperities, in the system. Some subduction zones have strong deterministic elements which allow forecasts of future seismicity. For example, the forecasts of the 2010 Mw=8.8 Maule, Chile, earthquake and the 2012 Mw=7.6, Costa Rica, earthquake are good examples in which useful forecasts were made within a solid scientific framework using GPS. However, even in these cases, because of the nondeterministic elements uncertainties are difficult to quantify. In some subduction zones, nondeterministic behavior dominates because of complex plate boundary structures and defies useful forecasts. The 2011 Mw=9.0 Tohoku-Oki earthquake may be an example in which the physical framework was reasonably well understood, but complex interactions of asperities and insufficient knowledge about the subduction-zone structures led to the unexpected tragic consequence. Despite these difficulties, broadband seismology, GPS, and rapid data processing-telemetry technology can contribute to effective hazard mitigation through scenario earthquake approach and real-time warning. A scale-independent relation between M0 (seismic moment) and the source duration, t, can be used for the design of average scenario earthquakes. However, outliers caused by the variation of stress drop, radiation efficiency, and aspect ratio of the rupture plane are often the most hazardous and need to be included in scenario earthquakes. The recent development in real-time technology would help seismologists to cope with, and prepare for, devastating tsunamis and earthquakes. Combining a better understanding of earthquake diversity and modern technology is the key to effective and comprehensive hazard mitigation practices.