Techniques for estimating flood-peak discharges of rural, unregulated streams in Ohio

USGS Publications Warehouse

Koltun, G.F.

2003-01-01

Regional equations for estimating 2-, 5-, 10-, 25-, 50-, 100-, and 500-year flood-peak discharges at ungaged sites on rural, unregulated streams in Ohio were developed by means of ordinary and generalized least-squares (GLS) regression techniques. One-variable, simple equations and three-variable, full-model equations were developed on the basis of selected basin characteristics and flood-frequency estimates determined for 305 streamflow-gaging stations in Ohio and adjacent states. The average standard errors of prediction ranged from about 39 to 49 percent for the simple equations, and from about 34 to 41 percent for the full-model equations. Flood-frequency estimates determined by means of log-Pearson Type III analyses are reported along with weighted flood-frequency estimates, computed as a function of the log-Pearson Type III estimates and the regression estimates. Values of explanatory variables used in the regression models were determined from digital spatial data sets by means of a geographic information system (GIS), with the exception of drainage area, which was determined by digitizing the area within basin boundaries manually delineated on topographic maps. Use of GIS-based explanatory variables represents a major departure in methodology from that described in previous reports on estimating flood-frequency characteristics of Ohio streams. Examples are presented illustrating application of the regression equations to ungaged sites on ungaged and gaged streams. A method is provided to adjust regression estimates for ungaged sites by use of weighted and regression estimates for a gaged site on the same stream. A region-of-influence method, which employs a computer program to estimate flood-frequency characteristics for ungaged sites based on data from gaged sites with similar characteristics, was also tested and compared to the GLS full-model equations. For all recurrence intervals, the GLS full-model equations had superior prediction accuracy relative to the simple equations and therefore are recommended for use.

Effect of Stability on Mixing in Open Canopies. Chapter 4

NASA Technical Reports Server (NTRS)

Lee, Young-Hee; Mahrt, L.

2005-01-01

In open canopies, the within-canopy flux from the ground surface and understory can account for a significant fraction of the total flux above the canopy. This study incorporates the important influence of within-canopy stability on turbulent mixing and subcanopy fluxes into a first-order closure scheme. Toward this goal, we analyze within-canopy eddy-correlation data from the old aspen site in the Boreal Ecosystem - Atmosphere Study (BOREAS) and a mature ponderosa pine site in Central Oregon, USA. A formulation of within-canopy transport is framed in terms of a stability- dependent mixing length, which approaches Monin-Obukhov similarity theory above the canopy roughness sublayer. The new simple formulation is an improvement upon the usual neglect of the influence of within-canopy stability in simple models. However, frequent well-defined cold air drainage within the pine subcanopy inversion reduces the utility of simple models for nocturnal transport. Other shortcomings of the formulation are discussed.

Local density approximation in site-occupation embedding theory

NASA Astrophysics Data System (ADS)

Senjean, Bruno; Tsuchiizu, Masahisa; Robert, Vincent; Fromager, Emmanuel

2017-01-01

Site-occupation embedding theory (SOET) is a density functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory is presented here for the Hubbard Hamiltonian. In contrast to conventional DFT approaches, the site (or orbital) occupations are deduced in SOET from a partially interacting system consisting of one (or more) impurity site(s) and non-interacting bath sites. The correlation energy of the bath is then treated implicitly by means of a site-occupation functional. In this work, we propose a simple impurity-occupation functional approximation based on the two-level (2L) Hubbard model which is referred to as two-level impurity local density approximation (2L-ILDA). Results obtained on a prototypical uniform eight-site Hubbard ring are promising. The extension of the method to larger systems and more sophisticated model Hamiltonians is currently in progress.

How effective is advertising in duopoly markets?

NASA Astrophysics Data System (ADS)

Sznajd-Weron, K.; Weron, R.

2003-06-01

A simple Ising spin model which can describe the mechanism of advertising in a duopoly market is proposed. In contrast to other agent-based models, the influence does not flow inward from the surrounding neighbors to the center site, but spreads outward from the center to the neighbors. The model thus describes the spread of opinions among customers. It is shown via standard Monte Carlo simulations that very simple rules and inclusion of an external field-an advertising campaign-lead to phase transitions.

Recent Developments on the Turbulence Modeling Resource Website (Invited)

NASA Technical Reports Server (NTRS)

Rumssey, Christopher L.

2015-01-01

The NASA Langley Turbulence Model Resource (TMR) website has been active for over five years. Its main goal of providing a one-stop, easily accessible internet site for up-to-date information on Reynolds-averaged Navier-Stokes turbulence models remains unchanged. In particular, the site strives to provide an easy way for users to verify their own implementations of widely-used turbulence models, and to compare the results from different models for a variety of simple unit problems covering a range of flow physics. Some new features have been recently added to the website. This paper documents the site's features, including recent developments, future plans, and open questions.

Theory of Force Regulation by Nascent Adhesion Sites

PubMed Central

Bruinsma, Robijn

2005-01-01

The mechanical coupling of a cell with the extracellular matrix relies on adhesion sites, clusters of membrane-associated proteins that communicate forces generated along the F-Actin filaments of the cytoskeleton to connecting tissue. Nascent adhesion sites have been shown to regulate these forces in response to tissue rigidity. Force-regulation by substrate rigidity of adhesion sites with fixed area is not possible for stationary adhesion sites, according to elasticity theory. A simple model is presented to describe force regulation by dynamical adhesion sites. PMID:15849245

Guidelines and Procedures for Computing Time-Series Suspended-Sediment Concentrations and Loads from In-Stream Turbidity-Sensor and Streamflow Data

USGS Publications Warehouse

Rasmussen, Patrick P.; Gray, John R.; Glysson, G. Douglas; Ziegler, Andrew C.

2009-01-01

In-stream continuous turbidity and streamflow data, calibrated with measured suspended-sediment concentration data, can be used to compute a time series of suspended-sediment concentration and load at a stream site. Development of a simple linear (ordinary least squares) regression model for computing suspended-sediment concentrations from instantaneous turbidity data is the first step in the computation process. If the model standard percentage error (MSPE) of the simple linear regression model meets a minimum criterion, this model should be used to compute a time series of suspended-sediment concentrations. Otherwise, a multiple linear regression model using paired instantaneous turbidity and streamflow data is developed and compared to the simple regression model. If the inclusion of the streamflow variable proves to be statistically significant and the uncertainty associated with the multiple regression model results in an improvement over that for the simple linear model, the turbidity-streamflow multiple linear regression model should be used to compute a suspended-sediment concentration time series. The computed concentration time series is subsequently used with its paired streamflow time series to compute suspended-sediment loads by standard U.S. Geological Survey techniques. Once an acceptable regression model is developed, it can be used to compute suspended-sediment concentration beyond the period of record used in model development with proper ongoing collection and analysis of calibration samples. Regression models to compute suspended-sediment concentrations are generally site specific and should never be considered static, but they represent a set period in a continually dynamic system in which additional data will help verify any change in sediment load, type, and source.

Modeling Complex Equilibria in ITC Experiments: Thermodynamic Parameters Estimation for a Three Binding Site Model

PubMed Central

Le, Vu H.; Buscaglia, Robert; Chaires, Jonathan B.; Lewis, Edwin A.

2013-01-01

Isothermal Titration Calorimetry, ITC, is a powerful technique that can be used to estimate a complete set of thermodynamic parameters (e.g. Keq (or ΔG), ΔH, ΔS, and n) for a ligand binding interaction described by a thermodynamic model. Thermodynamic models are constructed by combination of equilibrium constant, mass balance, and charge balance equations for the system under study. Commercial ITC instruments are supplied with software that includes a number of simple interaction models, for example one binding site, two binding sites, sequential sites, and n-independent binding sites. More complex models for example, three or more binding sites, one site with multiple binding mechanisms, linked equilibria, or equilibria involving macromolecular conformational selection through ligand binding need to be developed on a case by case basis by the ITC user. In this paper we provide an algorithm (and a link to our MATLAB program) for the non-linear regression analysis of a multiple binding site model with up to four overlapping binding equilibria. Error analysis demonstrates that fitting ITC data for multiple parameters (e.g. up to nine parameters in the three binding site model) yields thermodynamic parameters with acceptable accuracy. PMID:23262283

Observation and modelling of urban dew

NASA Astrophysics Data System (ADS)

Richards, Katrina

Despite its relevance to many aspects of urban climate and to several practical questions, urban dew has largely been ignored. Here, simple observations an out-of-doors scale model, and numerical simulation are used to investigate patterns of dewfall and surface moisture (dew + guttation) in urban environments. Observations and modelling were undertaken in Vancouver, B.C., primarily during the summers of 1993 and 1996. Surveys at several scales (0.02-25 km) show that the main controls on dew are weather, location and site configuration (geometry and surface materials). Weather effects are discussed using an empirical factor, FW . Maximum dew accumulation (up to ~ 0.2 mm per night) is seen on nights with moist air and high FW , i.e., cloudless conditions with light winds. Favoured sites are those with high Ysky and surfaces which cool rapidly after sunset, e.g., grass and well insulated roofs. A 1/8-scale model is designed, constructed, and run at an out-of-doors site to study dew patterns in an urban residential landscape which consists of house lots, a street and an open grassed park. The Internal Thermal Mass (ITM) approach is used to scale the thermal inertia of buildings. The model is validated using data from full-scale sites in Vancouver. Patterns in the model agree with those seen at the full-scale, i.e., dew distribution is governed by weather, site geometry and substrate conditions. Correlation is shown between Ysky and surface moisture accumulation. The feasibility of using a numerical model to simulate urban dew is investigated using a modified version of a rural dew model. Results for simple isolated surfaces-a deciduous tree leaf and an asphalt shingle roof-show promise, especially for built surfaces.

Foreshock and aftershocks in simple earthquake models.

PubMed

Kazemian, J; Tiampo, K F; Klein, W; Dominguez, R

2015-02-27

Many models of earthquake faults have been introduced that connect Gutenberg-Richter (GR) scaling to triggering processes. However, natural earthquake fault systems are composed of a variety of different geometries and materials and the associated heterogeneity in physical properties can cause a variety of spatial and temporal behaviors. This raises the question of how the triggering process and the structure interact to produce the observed phenomena. Here we present a simple earthquake fault model based on the Olami-Feder-Christensen and Rundle-Jackson-Brown cellular automata models with long-range interactions that incorporates a fixed percentage of stronger sites, or asperity cells, into the lattice. These asperity cells are significantly stronger than the surrounding lattice sites but eventually rupture when the applied stress reaches their higher threshold stress. The introduction of these spatial heterogeneities results in temporal clustering in the model that mimics that seen in natural fault systems along with GR scaling. In addition, we observe sequences of activity that start with a gradually accelerating number of larger events (foreshocks) prior to a main shock that is followed by a tail of decreasing activity (aftershocks). This work provides further evidence that the spatial and temporal patterns observed in natural seismicity are strongly influenced by the underlying physical properties and are not solely the result of a simple cascade mechanism.

SIMPLE ANALYTICAL MODEL FOR HEAT FLOW IN FRACTURES-APPLICATION TO STEAM ENHANCED REMEDIATION CONDUCTED IN FRACTURED ROCK

EPA Science Inventory

Remediation of fractured rock sites contaminated by non-aqueous phase liquids has long been recognized as the most difficult undertaking of any site clean-up. Recent pilot studies conducted at the Edwards Air Force Base in California and the former Loring Air Force Base in Maine ...

SIMPLE ANALYTICAL MODEL FOR HEAT FLOW IN FRACTURES - APPLICATION TO STEAM ENHANCED REMEDIATION CONDUCTED IN FRACTURED ROCK

EPA Science Inventory

Remediation of fractured rock sites contaminated by non-aqueous phase liquids has long been recognized as the most difficult undertaking of any site clean-up. Recent pilot studies conducted at the Edwards Air Force Base in California and the former Loring Air Force Base in Maine ...

Geochemistry of the Birch Creek Drainage Basin, Idaho

USGS Publications Warehouse

Swanson, Shawn A.; Rosentreter, Jeffrey J.; Bartholomay, Roy C.; Knobel, LeRoy L.

2003-01-01

The U.S. Survey and Idaho State University, in cooperation with the U.S. Department of Energy, are conducting studies to describe the chemical character of ground water that moves as underflow from drainage basins into the eastern Snake River Plain aquifer (ESRPA) system at and near the Idaho National Engineering and Environmental Laboratory (INEEL) and the effects of these recharge waters on the geochemistry of the ESRPA system. Each of these recharge waters has a hydrochemical character related to geochemical processes, especially water-rock interactions, that occur during migration to the ESRPA. Results of these studies will benefit ongoing and planned geochemical modeling of the ESRPA at the INEEL by providing model input on the hydrochemical character of water from each drainage basin. During 2000, water samples were collected from five wells and one surface-water site in the Birch Creek drainage basin and analyzed for selected inorganic constituents, nutrients, dissolved organic carbon, tritium, measurements of gross alpha and beta radioactivity, and stable isotopes. Four duplicate samples also were collected for quality assurance. Results, which include analyses of samples previously collected from four other sites, in the basin, show that most water from the Birch Creek drainage basin has a calcium-magnesium bicarbonate character. The Birch Creek Valley can be divided roughly into three hydrologic areas. In the northern part, ground water is forced to the surface by a basalt barrier and the sampling sites were either surface water or shallow wells. Water chemistry in this area was characterized by simple evaporation models, simple calcite-carbon dioxide models, or complex models involving carbonate and silicate minerals. The central part of the valley is filled by sedimentary material and the sampling sites were wells that are deeper than those in the northern part. Water chemistry in this area was characterized by simple calcite-dolomite-carbon dioxide models. In the southern part, ground water enters the ESRPA. In this area, the sampling sites were wells with depths and water levels much deeper than those in the northern and central parts of the valley. The calcium and carbon water chemistry in this area was characterized by a simple calcite-carbon dioxide model, but complex calcite-silicate models more accurately accounted for mass transfer in these areas. Throughout the geochemical system, calcite precipitated if it was an active phase in the models. Carbon dioxide either precipitated (outgassed) or dissolved depending on the partial pressure of carbon dioxide in water from the modeled sites. Dolomite was an active phase only in models from the central part of the system. Generally the entire geochemical system could be modeled with either evaporative models, carbonate models, or carbonate-silicate models. In both of the latter types of models, a significant amount of calcite precipitated relative to the mass transfer to and from the other active phases. The amount of calcite precipitated in the more complex models was consistent with the amount of calcite precipitated in the simpler models. This consistency suggests that, although the simpler models can predict calcium and carbon concentrations in Birch Creek Valley ground and surface water, silicate-mineral-based models are required to account for the other constituents. The amount of mass transfer to and from the silicate mineral phases was generally small compared with that in the carbonate phases. It appears that the water chemistry of well USGS 126B represents the chemistry of water recharging the ESRPA by means of underflow from the Birch Creek Valley.

A coupled melt-freeze temperature index approach in a one-layer model to predict bulk volumetric liquid water content dynamics in snow

NASA Astrophysics Data System (ADS)

Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

2016-04-01

Liquid water in snow rules runoff dynamics and wet snow avalanches release. Moreover, it affects snow viscosity and snow albedo. As a result, measuring and modeling liquid water dynamics in snow have important implications for many scientific applications. However, measurements are usually challenging, while modeling is difficult due to an overlap of mechanical, thermal and hydraulic processes. Here, we evaluate the use of a simple one-layer one-dimensional model to predict hourly time-series of bulk volumetric liquid water content in seasonal snow. The model considers both a simple temperature-index approach (melt only) and a coupled melt-freeze temperature-index approach that is able to reconstruct melt-freeze dynamics. Performance of this approach is evaluated at three sites in Japan. These sites (Nagaoka, Shinjo and Sapporo) present multi-year time-series of snow and meteorological data, vertical profiles of snow physical properties and snow melt lysimeters data. These data-sets are an interesting opportunity to test this application in different climatic conditions, as sites span a wide latitudinal range and are subjected to different snow conditions during the season. When melt-freeze dynamics are included in the model, results show that median absolute differences between observations and predictions of bulk volumetric liquid water content are consistently lower than 1 vol%. Moreover, the model is able to predict an observed dry condition of the snowpack in 80% of observed cases at a non-calibration site, where parameters from calibration sites are transferred. Overall, the analysis show that a coupled melt-freeze temperature-index approach may be a valid solution to predict average wetness conditions of a snow cover at local scale.

GIS Toolsets for Planetary Geomorphology and Landing-Site Analysis

NASA Astrophysics Data System (ADS)

Nass, Andrea; van Gasselt, Stephan

2015-04-01

Modern Geographic Information Systems (GIS) allow expert and lay users alike to load and position geographic data and perform simple to highly complex surface analyses. For many applications dedicated and ready-to-use GIS tools are available in standard software systems while other applications require the modular combination of available basic tools to answer more specific questions. This also applies to analyses in modern planetary geomorphology where many of such (basic) tools can be used to build complex analysis tools, e.g. in image- and terrain model analysis. Apart from the simple application of sets of different tools, many complex tasks require a more sophisticated design for storing and accessing data using databases (e.g. ArcHydro for hydrological data analysis). In planetary sciences, complex database-driven models are often required to efficiently analyse potential landings sites or store rover data, but also geologic mapping data can be efficiently stored and accessed using database models rather than stand-alone shapefiles. For landings-site analyses, relief and surface roughness estimates are two common concepts that are of particular interest and for both, a number of different definitions co-exist. We here present an advanced toolset for the analysis of image and terrain-model data with an emphasis on extraction of landing site characteristics using established criteria. We provide working examples and particularly focus on the concepts of terrain roughness as it is interpreted in geomorphology and engineering studies.

Using maximum entropy modeling for optimal selection of sampling sites for monitoring networks

USGS Publications Warehouse

Stohlgren, Thomas J.; Kumar, Sunil; Barnett, David T.; Evangelista, Paul H.

2011-01-01

Environmental monitoring programs must efficiently describe state shifts. We propose using maximum entropy modeling to select dissimilar sampling sites to capture environmental variability at low cost, and demonstrate a specific application: sample site selection for the Central Plains domain (453,490 km2) of the National Ecological Observatory Network (NEON). We relied on four environmental factors: mean annual temperature and precipitation, elevation, and vegetation type. A “sample site” was defined as a 20 km × 20 km area (equal to NEON’s airborne observation platform [AOP] footprint), within which each 1 km2 cell was evaluated for each environmental factor. After each model run, the most environmentally dissimilar site was selected from all potential sample sites. The iterative selection of eight sites captured approximately 80% of the environmental envelope of the domain, an improvement over stratified random sampling and simple random designs for sample site selection. This approach can be widely used for cost-efficient selection of survey and monitoring sites.

Economic decision making and the application of nonparametric prediction models

USGS Publications Warehouse

Attanasi, E.D.; Coburn, T.C.; Freeman, P.A.

2008-01-01

Sustained increases in energy prices have focused attention on gas resources in low-permeability shale or in coals that were previously considered economically marginal. Daily well deliverability is often relatively small, although the estimates of the total volumes of recoverable resources in these settings are often large. Planning and development decisions for extraction of such resources must be areawide because profitable extraction requires optimization of scale economies to minimize costs and reduce risk. For an individual firm, the decision to enter such plays depends on reconnaissance-level estimates of regional recoverable resources and on cost estimates to develop untested areas. This paper shows how simple nonparametric local regression models, used to predict technically recoverable resources at untested sites, can be combined with economic models to compute regional-scale cost functions. The context of the worked example is the Devonian Antrim-shale gas play in the Michigan basin. One finding relates to selection of the resource prediction model to be used with economic models. Models chosen because they can best predict aggregate volume over larger areas (many hundreds of sites) smooth out granularity in the distribution of predicted volumes at individual sites. This loss of detail affects the representation of economic cost functions and may affect economic decisions. Second, because some analysts consider unconventional resources to be ubiquitous, the selection and order of specific drilling sites may, in practice, be determined arbitrarily by extraneous factors. The analysis shows a 15-20% gain in gas volume when these simple models are applied to order drilling prospects strategically rather than to choose drilling locations randomly. Copyright ?? 2008 Society of Petroleum Engineers.

Identification of site frequencies from building records

USGS Publications Warehouse

Celebi, M.

2003-01-01

A simple procedure to identify site frequencies using earthquake response records from roofs and basements of buildings is presented. For this purpose, data from five different buildings are analyzed using only spectral analyses techniques. Additional data such as free-field records in close proximity to the buildings and site characterization data are also used to estimate site frequencies and thereby to provide convincing evidence and confirmation of the site frequencies inferred from the building records. Furthermore, simple code-formula is used to calculate site frequencies and compare them with the identified site frequencies from records. Results show that the simple procedure is effective in identification of site frequencies and provides relatively reliable estimates of site frequencies when compared with other methods. Therefore the simple procedure for estimating site frequencies using earthquake records can be useful in adding to the database of site frequencies. Such databases can be used to better estimate site frequencies of those sites with similar geological structures.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

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

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

DOE PAGES

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; ...

2017-10-06

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Defining strategies to win in the Internet market

NASA Astrophysics Data System (ADS)

López, Luis; Sanjuán, Miguel A. F.

2001-12-01

This paper analyzes a model for the competition dynamics of web sites in the Internet, based on the Lotka-Volterra competition equations. This model shows the well known appearance of a winner-take-all characteristic and is based in the nonvalidity of traditional offer and demand equilibrium theory of these kinds of markets. From the stability analysis of the model, we establish a series of rules which are useful for defining strategies in the Internet market. One of the most important results that emerge from this simple model is the appearance of some unexpected phenomena related to the collaboration and competition between sites.

Optimized theory for simple and molecular fluids.

PubMed

Marucho, M; Montgomery Pettitt, B

2007-03-28

An optimized closure approximation for both simple and molecular fluids is presented. A smooth interpolation between Perkus-Yevick and hypernetted chain closures is optimized by minimizing the free energy self-consistently with respect to the interpolation parameter(s). The molecular version is derived from a refinement of the method for simple fluids. In doing so, a method is proposed which appropriately couples an optimized closure with the variant of the diagrammatically proper integral equation recently introduced by this laboratory [K. M. Dyer et al., J. Chem. Phys. 123, 204512 (2005)]. The simplicity of the expressions involved in this proposed theory has allowed the authors to obtain an analytic expression for the approximate excess chemical potential. This is shown to be an efficient tool to estimate, from first principles, the numerical value of the interpolation parameters defining the aforementioned closure. As a preliminary test, representative models for simple fluids and homonuclear diatomic Lennard-Jones fluids were analyzed, obtaining site-site correlation functions in excellent agreement with simulation data.

Modelling temporal and large-scale spatial variability of soil respiration from soil water availability, temperature and vegetation productivity indices

NASA Astrophysics Data System (ADS)

Reichstein, M.; Rey, A.; Freibauer, A.; Tenhunen, J.; Valentini, R.; Soil Respiration Synthesis Team

2003-04-01

Field-chamber measurements of soil respiration from 17 different forest and shrubland sites in Europe and North America were summarized and analyzed with the goal to develop a model describing seasonal, inter-annual and spatial variability of soil respiration as affected by water availability, temperature and site properties. The analysis was performed at a daily and at a monthly time step. With the daily time step, the relative soil water content in the upper soil layer expressed as a fraction of field capacity was a good predictor of soil respiration at all sites. Among the site variables tested, those related to site productivity (e.g. leaf area index) correlated significantly with soil respiration, while carbon pool variables like standing biomass or the litter and soil carbon stocks did not show a clear relationship with soil respiration. Furthermore, it was evidenced that the effect of precipitation on soil respiration stretched beyond its direct effect via soil moisture. A general statistical non-linear regression model was developed to describe soil respiration as dependent on soil temperature, soil water content and site-specific maximum leaf area index. The model explained nearly two thirds of the temporal and inter-site variability of soil respiration with a mean absolute error of 0.82 µmol m-2 s-1. The parameterised model exhibits the following principal properties: 1) At a relative amount of upper-layer soil water of 16% of field capacity half-maximal soil respiration rates are reached. 2) The apparent temperature sensitivity of soil respiration measured as Q10 varies between 1 and 5 depending on soil temperature and water content. 3) Soil respiration under reference moisture and temperature conditions is linearly related to maximum site leaf area index. At a monthly time-scale we employed the approach by Raich et al. (2002, Global Change Biol. 8, 800-812) that used monthly precipitation and air temperature to globally predict soil respiration (T&P-model). While this model was able to explain some of the month-to-month variability of soil respiration, it failed to capture the inter-site variability, regardless whether the original or a new optimized model parameterization was used. In both cases, the residuals were strongly related to maximum site leaf area index. Thus, for a monthly time scale we developed a simple T&P&LAI-model that includes leaf area index as an additional predictor of soil respiration. This extended but still simple model performed nearly as well as the more detailed time-step model and explained 50 % of the overall and 65% of the site-to-site variability. Consequently, better estimates of globally distributed soil respiration should be obtained with the new model driven by satellite estimates of leaf area index.

Occupancy models to study wildlife

USGS Publications Warehouse

Bailey, Larissa; Adams, Michael John

2005-01-01

Many wildlife studies seek to understand changes or differences in the proportion of sites occupied by a species of interest. These studies are hampered by imperfect detection of these species, which can result in some sites appearing to be unoccupied that are actually occupied. Occupancy models solve this problem and produce unbiased estimates of occupancy and related parameters. Required data (detection/non-detection information) are relatively simple and inexpensive to collect. Software is available free of charge to aid investigators in occupancy estimation.

Comparing crop growth and carbon budgets simulated across AmeriFlux agricultural sites using the community land model (CLM)

USDA-ARS?s Scientific Manuscript database

Improving process-based crop models is needed to achieve high fidelity forecasts of regional energy, water, and carbon exchange. However, most state-of-the-art Land Surface Models (LSMs) assessed in the fifth phase of the Coupled Model Inter-comparison project (CMIP5) simulated crops as simple C3 or...

[Application of three compartment model and response surface model to clinical anesthesia using Microsoft Excel].

PubMed

Abe, Eiji; Abe, Mari

2011-08-01

With the spread of total intravenous anesthesia, clinical pharmacology has become more important. We report Microsoft Excel file applying three compartment model and response surface model to clinical anesthesia. On the Microsoft Excel sheet, propofol, remifentanil and fentanyl effect-site concentrations are predicted (three compartment model), and probabilities of no response to prodding, shaking, surrogates of painful stimuli and laryngoscopy are calculated using predicted effect-site drug concentration. Time-dependent changes in these calculated values are shown graphically. Recent development in anesthetic drug interaction studies are remarkable, and its application to clinical anesthesia with this Excel file is simple and helpful for clinical anesthesia.

When push comes to shove: Exclusion processes with nonlocal consequences

NASA Astrophysics Data System (ADS)

Almet, Axel A.; Pan, Michael; Hughes, Barry D.; Landman, Kerry A.

2015-11-01

Stochastic agent-based models are useful for modelling collective movement of biological cells. Lattice-based random walk models of interacting agents where each site can be occupied by at most one agent are called simple exclusion processes. An alternative motility mechanism to simple exclusion is formulated, in which agents are granted more freedom to move under the compromise that interactions are no longer necessarily local. This mechanism is termed shoving. A nonlinear diffusion equation is derived for a single population of shoving agents using mean-field continuum approximations. A continuum model is also derived for a multispecies problem with interacting subpopulations, which either obey the shoving rules or the simple exclusion rules. Numerical solutions of the derived partial differential equations compare well with averaged simulation results for both the single species and multispecies processes in two dimensions, while some issues arise in one dimension for the multispecies case.

Dataflow models for fault-tolerant control systems

NASA Technical Reports Server (NTRS)

Papadopoulos, G. M.

1984-01-01

Dataflow concepts are used to generate a unified hardware/software model of redundant physical systems which are prone to faults. Basic results in input congruence and synchronization are shown to reduce to a simple model of data exchanges between processing sites. Procedures are given for the construction of congruence schemata, the distinguishing features of any correctly designed redundant system.

Understanding CO2 Plume Behavior and Basin-Scale Pressure Changes during Sequestration Projects through the use of Reservoir Fluid Modeling

USGS Publications Warehouse

Leetaru, H.E.; Frailey, S.M.; Damico, J.; Mehnert, E.; Birkholzer, J.; Zhou, Q.; Jordan, P.D.

2009-01-01

Large scale geologic sequestration tests are in the planning stages around the world. The liability and safety issues of the migration of CO2 away from the primary injection site and/or reservoir are of significant concerns for these sequestration tests. Reservoir models for simulating single or multi-phase fluid flow are used to understand the migration of CO2 in the subsurface. These models can also help evaluate concerns related to brine migration and basin-scale pressure increases that occur due to the injection of additional fluid volumes into the subsurface. The current paper presents different modeling examples addressing these issues, ranging from simple geometric models to more complex reservoir fluid models with single-site and basin-scale applications. Simple geometric models assuming a homogeneous geologic reservoir and piston-like displacement have been used for understanding pressure changes and fluid migration around each CO2 storage site. These geometric models are useful only as broad approximations because they do not account for the variation in porosity, permeability, asymmetry of the reservoir, and dip of the beds. In addition, these simple models are not capable of predicting the interference between different injection sites within the same reservoir. A more realistic model of CO2 plume behavior can be produced using reservoir fluid models. Reservoir simulation of natural gas storage reservoirs in the Illinois Basin Cambrian-age Mt. Simon Sandstone suggest that reservoir heterogeneity will be an important factor for evaluating storage capacity. The Mt. Simon Sandstone is a thick sandstone that underlies many significant coal fired power plants (emitting at least 1 million tonnes per year) in the midwestern United States including the states of Illinois, Indiana, Kentucky, Michigan, and Ohio. The initial commercial sequestration sites are expected to inject 1 to 2 million tonnes of CO2 per year. Depending on the geologic structure and permeability anisotropy, the CO2 injected into the Mt. Simon are expected to migrate less than 3 km. After 30 years of continuous injection followed by 100 years of shut-in, the plume from a 1 million tonnes a year injection rate is expected to migrate 1.6 km for a 0 degree dip reservoir and over 3 km for a 5 degree dip reservoir. The region where reservoir pressure increases in response to CO2 injection is typically much larger than the CO2 plume. It can thus be anticipated that there will be basin wide interactions between different CO2 injection sources if multiple, large volume sites are developed. This interaction will result in asymmetric plume migration that may be contrary to reservoir dip. A basin- scale simulation model is being developed to predict CO2 plume migration, brine displacement, and pressure buildup for a possible future sequestration scenario featuring multiple CO2 storage sites within the Illinois Basin Mt. Simon Sandstone. Interactions between different sites will be evaluated with respect to impacts on pressure and CO2 plume migration patterns. ?? 2009 Elsevier Ltd. All rights reserved.

The performance of a simple degree-day estimate of snow accumulation to an alpine watershed

Treesearch

R. A. Sommerfeld; R. C. Musselman; G. L. Wooldridge; M. A. Conrad

1991-01-01

We estimated the yearly snow accumulation to the Glacier Lakes Ecosystems Experiments Site (GLEES) for the winters of 1987-88, 1988-89, and 1989-90, using a simple degree-day model developed by J. Martinec and A. Rango. Comparisons with other data indicate that the estimates are accurate. In particular, a calibration with an intensive snow core-probe survey in 1989-90...

Pre-Launch Tasks Proposed in our Contract of December 1991

NASA Technical Reports Server (NTRS)

1998-01-01

We propose, during the pre-EOS phase to: (1) develop, with other MODIS Team Members, a means of discriminating different major biome types with NDVI and other AVHRR-based data; (2) develop a simple ecosystem process model for each of these biomes, BIOME-BGC; (3) relate the seasonal trend of weekly composite NDVI to vegetation phenology and temperature limits to develop a satellite defined growing season for vegetation; and (4) define physiologically based energy to mass conversion factors for carbon and water for each biome. Our final core at-launch product will be simplified, completely satellite driven biome specific models for net primary production. We will build these biome specific satellite driven algorithms using a family of simple ecosystem process models as calibration models, collectively called BIOME-BGC, and establish coordination with an existing network of ecological study sites in order to test and validate these products. Field datasets will then be available for both BIOME-BGC development and testing, use for algorithm developments of other MODIS Team Members, and ultimately be our first test point for MODIS land vegetation products upon launch. We will use field sites from the National Science Foundation Long-Term Ecological Research network, and develop Glacier National Park as a major site for intensive validation.

Pre-Launch Tasks Proposed in our Contract of December 1991

NASA Technical Reports Server (NTRS)

Running, Steven W.; Nemani, Ramakrishna R.; Glassy, Joseph

1997-01-01

We propose, during the pre-EOS phase to: (1) develop, with other MODIS Team Members, a means of discriminating different major biome types with NDVI and other AVHRR-based data. (2) develop a simple ecosystem process model for each of these biomes, BIOME-BGC (3) relate the seasonal trend of weekly composite NDVI to vegetation phenology and temperature limits to develop a satellite defined growing season for vegetation; and (4) define physiologically based energy to mass conversion factors for carbon and water for each biome. Our final core at-launch product will be simplified, completely satellite driven biome specific models for net primary production. We will build these biome specific satellite driven algorithms using a family of simple ecosystem process models as calibration models, collectively called BIOME-BGC, and establish coordination with an existing network of ecological study sites in order to test and validate these products. Field datasets will then be available for both BIOME-BGC development and testing, use for algorithm developments of other MODIS Team Members, and ultimately be our first test point for MODIS land vegetation products upon launch. We will use field sites from the National Science Foundation Long-Term Ecological Research network, and develop Glacier National Park as a major site for intensive validation.

Improving Lidar-based Aboveground Biomass Estimation with Site Productivity for Central Hardwood Forests, USA

NASA Astrophysics Data System (ADS)

Shao, G.; Gallion, J.; Fei, S.

2016-12-01

Sound forest aboveground biomass estimation is required to monitor diverse forest ecosystems and their impacts on the changing climate. Lidar-based regression models provided promised biomass estimations in most forest ecosystems. However, considerable uncertainties of biomass estimations have been reported in the temperate hardwood and hardwood-dominated mixed forests. Varied site productivities in temperate hardwood forests largely diversified height and diameter growth rates, which significantly reduced the correlation between tree height and diameter at breast height (DBH) in mature and complex forests. It is, therefore, difficult to utilize height-based lidar metrics to predict DBH-based field-measured biomass through a simple regression model regardless the variation of site productivity. In this study, we established a multi-dimension nonlinear regression model incorporating lidar metrics and site productivity classes derived from soil features. In the regression model, lidar metrics provided horizontal and vertical structural information and productivity classes differentiated good and poor forest sites. The selection and combination of lidar metrics were discussed. Multiple regression models were employed and compared. Uncertainty analysis was applied to the best fit model. The effects of site productivity on the lidar-based biomass model were addressed.

Inherent limitations of probabilistic models for protein-DNA binding specificity

PubMed Central

Ruan, Shuxiang

2017-01-01

The specificities of transcription factors are most commonly represented with probabilistic models. These models provide a probability for each base occurring at each position within the binding site and the positions are assumed to contribute independently. The model is simple and intuitive and is the basis for many motif discovery algorithms. However, the model also has inherent limitations that prevent it from accurately representing true binding probabilities, especially for the highest affinity sites under conditions of high protein concentration. The limitations are not due to the assumption of independence between positions but rather are caused by the non-linear relationship between binding affinity and binding probability and the fact that independent normalization at each position skews the site probabilities. Generally probabilistic models are reasonably good approximations, but new high-throughput methods allow for biophysical models with increased accuracy that should be used whenever possible. PMID:28686588

Rock size-frequency distributions on Mars and implications for Mars Exploration Rover landing safety and operations

NASA Astrophysics Data System (ADS)

Golombek, M. P.; Haldemann, A. F. C.; Forsberg-Taylor, N. K.; DiMaggio, E. N.; Schroeder, R. D.; Jakosky, B. M.; Mellon, M. T.; Matijevic, J. R.

2003-10-01

The cumulative fractional area covered by rocks versus diameter measured at the Pathfinder site was predicted by a rock distribution model that follows simple exponential functions that approach the total measured rock abundance (19%), with a steep decrease in rocks with increasing diameter. The distribution of rocks >1.5 m diameter visible in rare boulder fields also follows this steep decrease with increasing diameter. The effective thermal inertia of rock populations calculated from a simple empirical model of the effective inertia of rocks versus diameter shows that most natural rock populations have cumulative effective thermal inertias of 1700-2100 J m-2 s-0.5 K-1 and are consistent with the model rock distributions applied to total rock abundance estimates. The Mars Exploration Rover (MER) airbags have been successfully tested against extreme rock distributions with a higher percentage of potentially hazardous triangular buried rocks than observed at the Pathfinder and Viking landing sites. The probability of the lander impacting a >1 m diameter rock in the first 2 bounces is <3% and <5% for the Meridiani and Gusev landing sites, respectively, and is <0.14% and <0.03% for rocks >1.5 m and >2 m diameter, respectively. Finally, the model rock size-frequency distributions indicate that rocks >0.1 m and >0.3 m in diameter, large enough to place contact sensor instruments against and abrade, respectively, should be plentiful within a single sol's drive at the Meridiani and Gusev landing sites.

Canopy reflectance modeling in a tropical wooded grassland

NASA Technical Reports Server (NTRS)

Simonett, David

1988-01-01

The Li-Strahler canopy reflectance model, driven by LANDSAT Thematic Mapper (TM) data, provided regional estimates of tree size and density in two bioclimatic zones in Africa. This model exploits tree geometry in an inversion technique to predict average tree size and density from reflectance data using a few simple patameters measured in the field and in the imagery. Reflectance properties of the trees were measured in the study sites using a pole-mounted radiometer. The measurements showed that the assumptions of the simple Li-Strahler model are reasonable for these woodlands. The field radiometer measurements were used to calculate the normalized difference vegetation index (NDVI), and the integrated NDVI over the canopy was related to crown volume. Predictions of tree size and density from the canopy model were used with allometric equations from the literature to estimate woody biomass and potential foliar biomass for the sites and for the regions. Estimates were compared with independent measurements made in the Sahelian sites, and to typical values from the literature for these regions and for similar woodlands. In order to apply the inversion procedure regionally, an area must first be stratified into woodland cover classes, and dry-season TM data were used to generate a stratum map of the study areas with reasonable accuracy. The method used was unsupervised classification of multi-data principal components images.

A comparison of hydrologic models for ecological flows and water availability

USGS Publications Warehouse

Caldwell, Peter V; Kennen, Jonathan G.; Sun, Ge; Kiang, Julie E.; Butcher, John B; Eddy, Michelle C; Hay, Lauren E.; LaFontaine, Jacob H.; Hain, Ernie F.; Nelson, Stacy C; McNulty, Steve G

2015-01-01

Robust hydrologic models are needed to help manage water resources for healthy aquatic ecosystems and reliable water supplies for people, but there is a lack of comprehensive model comparison studies that quantify differences in streamflow predictions among model applications developed to answer management questions. We assessed differences in daily streamflow predictions by four fine-scale models and two regional-scale monthly time step models by comparing model fit statistics and bias in ecologically relevant flow statistics (ERFSs) at five sites in the Southeastern USA. Models were calibrated to different extents, including uncalibrated (level A), calibrated to a downstream site (level B), calibrated specifically for the site (level C) and calibrated for the site with adjusted precipitation and temperature inputs (level D). All models generally captured the magnitude and variability of observed streamflows at the five study sites, and increasing level of model calibration generally improved performance. All models had at least 1 of 14 ERFSs falling outside a +/−30% range of hydrologic uncertainty at every site, and ERFSs related to low flows were frequently over-predicted. Our results do not indicate that any specific hydrologic model is superior to the others evaluated at all sites and for all measures of model performance. Instead, we provide evidence that (1) model performance is as likely to be related to calibration strategy as it is to model structure and (2) simple, regional-scale models have comparable performance to the more complex, fine-scale models at a monthly time step.

Controlling sunbathing safety during the summer holidays - The solar UV campaign at Baltic Sea coast in 2015.

PubMed

Guzikowski, Jakub; Czerwińska, Agnieszka E; Krzyścin, Janusz W; Czerwiński, Michał A

2017-08-01

Information regarding the intensity of surface UV radiation, provided for the public, is frequently given in terms of a daily maximum UV Index (UVI), based on a prognostic model. The quality of the UV forecast depends on the accuracy of column amount of ozone and cloudiness prediction. Daily variability of UVI is needed to determine the risk of the UV overexposure during outdoor activities. Various methods of estimating the temporary UVI and the maximum duration of UV exposures (received a dose equal to minimal erythemal dose - MED), at the site of sunbathing, were compared. The UV indices were obtained during a field experiment at the Baltic Sea coast in the period from 13th to 24th July 2015. The following UVI calculation models were considered: UVI measurements by simple hand-held biometers (Silver Crest, Oregon Scientific, or more advanced Solarmeter 6.5), our smartphone models based on cloud cover observations at the site and the cloudless-sky UVI forecast (available for any site for all smartphone users) or measured UVI, and the 24h weather predictions by the ensemble set of 10 models (with various cloud parameterizations). The direct UV measurements, even by a simple biometer, provided useful UVI estimates. The smartphone applications yielded a good agreement with the UV measurements. The weather prediction models for cloudless-sky conditions could provide valuable information if almost cloudless-sky conditions (cloudless-sky or slightly scattered clouds) were observed at the sunbathing site. Copyright © 2017 Elsevier B.V. All rights reserved.

Estimating site occupancy rates for aquatic plants using spatial sub-sampling designs when detection probabilities are less than one

USGS Publications Warehouse

Nielson, Ryan M.; Gray, Brian R.; McDonald, Lyman L.; Heglund, Patricia J.

2011-01-01

Estimation of site occupancy rates when detection probabilities are <1 is well established in wildlife science. Data from multiple visits to a sample of sites are used to estimate detection probabilities and the proportion of sites occupied by focal species. In this article we describe how site occupancy methods can be applied to estimate occupancy rates of plants and other sessile organisms. We illustrate this approach and the pitfalls of ignoring incomplete detection using spatial data for 2 aquatic vascular plants collected under the Upper Mississippi River's Long Term Resource Monitoring Program (LTRMP). Site occupancy models considered include: a naïve model that ignores incomplete detection, a simple site occupancy model assuming a constant occupancy rate and a constant probability of detection across sites, several models that allow site occupancy rates and probabilities of detection to vary with habitat characteristics, and mixture models that allow for unexplained variation in detection probabilities. We used information theoretic methods to rank competing models and bootstrapping to evaluate the goodness-of-fit of the final models. Results of our analysis confirm that ignoring incomplete detection can result in biased estimates of occupancy rates. Estimates of site occupancy rates for 2 aquatic plant species were 19–36% higher compared to naive estimates that ignored probabilities of detection <1. Simulations indicate that final models have little bias when 50 or more sites are sampled, and little gains in precision could be expected for sample sizes >300. We recommend applying site occupancy methods for monitoring presence of aquatic species.

Application of remote sensing for prediction and detection of thermal pollution, phase 2

NASA Technical Reports Server (NTRS)

Veziroglu, T. N.; Lee, S. S.

1975-01-01

The development of a predictive mathematical model for thermal pollution in connection with remote sensing measurements was continued. A rigid-lid model has been developed and its application to far-field study has been completed. The velocity and temperature fields have been computed for different atmospheric conditions and for different boundary currents produced by tidal effects. In connection with the theoretical work, six experimental studies of the two sites in question (Biscayne Bay site and Hutchinson Island site) have been carried out. The temperature fields obtained during the tests at the Biscayne Bay site have been compared with the predictions of the rigid-lid model and these results are encouraging. The rigid-lid model is also being applied to near-field study. Preliminary results for a simple case have been obtained and execution of more realistic cases has been initiated. The development of a free-surface model also been initiated. The governing equations have been formulated and the computer programs have been written.

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

Youkhana, Adel H.; Ogoshi, Richard M.; Kiniry, James R.

Biomass is a promising renewable energy option that provides a more environmentally sustainable alternative to fossil resources by reducing the net flux of greenhouse gasses to the atmosphere. Yet, allometric models that allow the prediction of aboveground biomass (AGB), biomass carbon (C) stock non-destructively have not yet been developed for tropical perennial C 4 grasses currently under consideration as potential bioenergy feedstock in Hawaii and other subtropical and tropical locations. The objectives of this study were to develop optimal allometric relationships and site-specific models to predict AGB, biomass C stock of napiergrass, energycane, and sugarcane under cultivation practices for renewablemore » energy and validate these site-specific models against independent data sets generated from sites with widely different environments. Several allometric models were developed for each species from data at a low elevation field on the island of Maui, Hawaii. A simple power model with stalk diameter (D) was best related to AGB and biomass C stock for napiergrass, energycane, and sugarcane, (R 2 = 0.98, 0.96, and 0.97, respectively). The models were then tested against data collected from independent fields across an environmental gradient. For all crops, the models over-predicted AGB in plants with lower stalk D, but AGB was under-predicted in plants with higher stalk D. The models using stalk D were better for biomass prediction compared to dewlap H (Height from the base cut to most recently exposed leaf dewlap) models, which showed weak validation performance. Although stalk D model performed better, however, the mean square error (MSE)-systematic was ranged from 23 to 43 % of MSE for all crops. A strong relationship between model coefficient and rainfall was existed, although these were irrigated systems; suggesting a simple site-specific coefficient modulator for rainfall to reduce systematic errors in water-limited areas. These allometric equations provide a tool for farmers in the tropics to estimate perennial C4 grass biomass and C stock during decision-making for land management and as an environmental sustainability indicator within a renewable energy system.« less

The COsmic-ray Soil Moisture Interaction Code (COSMIC) for use in data assimilation

NASA Astrophysics Data System (ADS)

Shuttleworth, J.; Rosolem, R.; Zreda, M.; Franz, T.

2013-08-01

Soil moisture status in land surface models (LSMs) can be updated by assimilating cosmic-ray neutron intensity measured in air above the surface. This requires a fast and accurate model to calculate the neutron intensity from the profiles of soil moisture modeled by the LSM. The existing Monte Carlo N-Particle eXtended (MCNPX) model is sufficiently accurate but too slow to be practical in the context of data assimilation. Consequently an alternative and efficient model is needed which can be calibrated accurately to reproduce the calculations made by MCNPX and used to substitute for MCNPX during data assimilation. This paper describes the construction and calibration of such a model, COsmic-ray Soil Moisture Interaction Code (COSMIC), which is simple, physically based and analytic, and which, because it runs at least 50 000 times faster than MCNPX, is appropriate in data assimilation applications. The model includes simple descriptions of (a) degradation of the incoming high-energy neutron flux with soil depth, (b) creation of fast neutrons at each depth in the soil, and (c) scattering of the resulting fast neutrons before they reach the soil surface, all of which processes may have parameterized dependency on the chemistry and moisture content of the soil. The site-to-site variability in the parameters used in COSMIC is explored for 42 sample sites in the COsmic-ray Soil Moisture Observing System (COSMOS), and the comparative performance of COSMIC relative to MCNPX when applied to represent interactions between cosmic-ray neutrons and moist soil is explored. At an example site in Arizona, fast-neutron counts calculated by COSMIC from the average soil moisture profile given by an independent network of point measurements in the COSMOS probe footprint are similar to the fast-neutron intensity measured by the COSMOS probe. It was demonstrated that, when used within a data assimilation framework to assimilate COSMOS probe counts into the Noah land surface model at the Santa Rita Experimental Range field site, the calibrated COSMIC model provided an effective mechanism for translating model-calculated soil moisture profiles into aboveground fast-neutron count when applied with two radically different approaches used to remove the bias between data and model.

Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes.

PubMed

Chatterjee, Abhijit; Vlachos, Dionisios G

2007-07-21

While recently derived continuum mesoscopic equations successfully bridge the gap between microscopic and macroscopic physics, so far they have been derived only for simple lattice models. In this paper, general deterministic continuum mesoscopic equations are derived rigorously via nonequilibrium statistical mechanics to account for multiple interacting surface species and multiple processes on multiple site types and/or different crystallographic planes. Adsorption, desorption, reaction, and surface diffusion are modeled. It is demonstrated that contrary to conventional phenomenological continuum models, microscopic physics, such as the interaction potential, determines the final form of the mesoscopic equation. Models of single component diffusion and binary diffusion of interacting particles on single-type site lattice and of single component diffusion on complex microporous materials' lattices consisting of two types of sites are derived, as illustrations of the mesoscopic framework. Simplification of the diffusion mesoscopic model illustrates the relation to phenomenological models, such as the Fickian and Maxwell-Stefan transport models. It is demonstrated that the mesoscopic equations are in good agreement with lattice kinetic Monte Carlo simulations for several prototype examples studied.

Influence of dissolved organic carbon content on modelling natural organic matter acid-base properties.

PubMed

Garnier, Cédric; Mounier, Stéphane; Benaïm, Jean Yves

2004-10-01

Natural organic matter (NOM) behaviour towards proton is an important parameter to understand NOM fate in the environment. Moreover, it is necessary to determine NOM acid-base properties before investigating trace metals complexation by natural organic matter. This work focuses on the possibility to determine these acid-base properties by accurate and simple titrations, even at low organic matter concentrations. So, the experiments were conducted on concentrated and diluted solutions of extracted humic and fulvic acid from Laurentian River, on concentrated and diluted model solutions of well-known simple molecules (acetic and phenolic acids), and on natural samples from the Seine river (France) which are not pre-concentrated. Titration experiments were modelled by a 6 acidic-sites discrete model, except for the model solutions. The modelling software used, called PROSECE (Programme d'Optimisation et de SpEciation Chimique dans l'Environnement), has been developed in our laboratory, is based on the mass balance equilibrium resolution. The results obtained on extracted organic matter and model solutions point out a threshold value for a confident determination of the studied organic matter acid-base properties. They also show an aberrant decreasing carboxylic/phenolic ratio with increasing sample dilution. This shift is neither due to any conformational effect, since it is also observed on model solutions, nor to ionic strength variations which is controlled during all experiments. On the other hand, it could be the result of an electrode troubleshooting occurring at basic pH values, which effect is amplified at low total concentration of acidic sites. So, in our conditions, the limit for a correct modelling of NOM acid-base properties is defined as 0.04 meq of total analysed acidic sites concentration. As for the analysed natural samples, due to their high acidic sites content, it is possible to model their behaviour despite the low organic carbon concentration.

A Web-based tool for UV irradiance data: predictions for European and Southeast Asian sites.

PubMed

Kift, Richard; Webb, Ann R; Page, John; Rimmer, John; Janjai, Serm

2006-01-01

There are a range of UV models available, but one needs significant pre-existing knowledge and experience in order to be able to use them. In this article a comparatively simple Web-based model developed for the SoDa (Integration and Exploitation of Networked Solar Radiation Databases for Environment Monitoring) project is presented. This is a clear-sky model with modifications for cloud effects. To determine if the model produces realistic UV data the output is compared with 1 year sets of hourly measurements at sites in the United Kingdom and Thailand. The accuracy of the output depends on the input, but reasonable results were obtained with the use of the default database inputs and improved when pyranometer instead of modeled data provided the global radiation input needed to estimate the UV. The average modeled values of UV for the UK site were found to be within 10% of measurements. For the tropical sites in Thailand the average modeled values were within 1120% of measurements for the four sites with the use of the default SoDa database values. These results improved when pyranometer data and TOMS ozone data from 2002 replaced the standard SoDa database values, reducing the error range for all four sites to less than 15%.

Uncertainty and the Conceptual Site Model

NASA Astrophysics Data System (ADS)

Price, V.; Nicholson, T. J.

2007-12-01

Our focus is on uncertainties in the underlying conceptual framework upon which all subsequent steps in numerical and/or analytical modeling efforts depend. Experienced environmental modelers recognize the value of selecting an optimal conceptual model from several competing site models, but usually do not formally explore possible alternative models, in part due to incomplete or missing site data, as well as relevant regional data for establishing boundary conditions. The value in and approach for developing alternative conceptual site models (CSM) is demonstrated by analysis of case histories. These studies are based on reported flow or transport modeling in which alternative site models are formulated using data that were not available to, or not used by, the original modelers. An important concept inherent to model abstraction of these alternative conceptual models is that it is "Far better an approximate answer to the right question, which is often vague, than the exact answer to the wrong question, which can always be made precise." (Tukey, 1962) The case histories discussed here illustrate the value of formulating alternative models and evaluating them using site-specific data: (1) Charleston Naval Site where seismic characterization data allowed significant revision of the CSM and subsequent contaminant transport modeling; (2) Hanford 300-Area where surface- and ground-water interactions affecting the unsaturated zone suggested an alternative component to the site model; (3) Savannah River C-Area where a characterization report for a waste site within the modeled area was not available to the modelers, but provided significant new information requiring changes to the underlying geologic and hydrogeologic CSM's used; (4) Amargosa Desert Research Site (ADRS) where re-interpretation of resistivity sounding data and water-level data suggested an alternative geologic model. Simple 2-D spreadsheet modeling of the ADRS with the revised CSM provided an improved match to vapor-phase tritium migration. Site-specific monitoring coupled to these alternative CSM's greatly assists in conducting uncertainty assessments. (Work supported by USNRC contract NRC-04-03-061.)

Spinons and holons for the one-dimensional three-band Hubbard models of high-temperature superconductors.

PubMed Central

Tahir-Kheli, J; Goddard, W A

1993-01-01

The one-dimensional three-band Hubbard Hamiltonian is shown to be equivalent to an effective Hamiltonian that has independent spinon and holon quasiparticle excitations plus a weak coupling of the two. The spinon description includes both copper sites and oxygen hole sites leading to a one-dimensional antiferromagnet incommensurate with the copper lattice. The holons are spinless noninteracting fermions in a simple cosine band. Because the oxygen sites are in the Hamiltonian, the quasiparticles are much simpler than in the exact solution of the t-J model for 2t = +/- J. If a similar description is correct for two dimensions, then the holons will attract in a p-wave potential. PMID:11607436

The IntFOLD server: an integrated web resource for protein fold recognition, 3D model quality assessment, intrinsic disorder prediction, domain prediction and ligand binding site prediction.

PubMed

Roche, Daniel B; Buenavista, Maria T; Tetchner, Stuart J; McGuffin, Liam J

2011-07-01

The IntFOLD server is a novel independent server that integrates several cutting edge methods for the prediction of structure and function from sequence. Our guiding principles behind the server development were as follows: (i) to provide a simple unified resource that makes our prediction software accessible to all and (ii) to produce integrated output for predictions that can be easily interpreted. The output for predictions is presented as a simple table that summarizes all results graphically via plots and annotated 3D models. The raw machine readable data files for each set of predictions are also provided for developers, which comply with the Critical Assessment of Methods for Protein Structure Prediction (CASP) data standards. The server comprises an integrated suite of five novel methods: nFOLD4, for tertiary structure prediction; ModFOLD 3.0, for model quality assessment; DISOclust 2.0, for disorder prediction; DomFOLD 2.0 for domain prediction; and FunFOLD 1.0, for ligand binding site prediction. Predictions from the IntFOLD server were found to be competitive in several categories in the recent CASP9 experiment. The IntFOLD server is available at the following web site: http://www.reading.ac.uk/bioinf/IntFOLD/.

Site-specific temporal and spatial validation of a generic plant pest forecast system with observations of Bactrocera dorsalis (oriental fruit fly).

USDA-ARS?s Scientific Manuscript database

This study introduces a simple generic model, the Generic Pest Forecast System (GPFS), for simulatingthe relative populations of non-indigenousarthropod pests in space and time. The model was designed to calculate the population index or relative population using hourly weather dataas influenced by...

A photosynthesis-based two-leaf canopy stomatal ...

EPA Pesticide Factsheets

A coupled photosynthesis-stomatal conductance model with single-layer sunlit and shaded leaf canopy scaling is implemented and evaluated in a diagnostic box model with the Pleim-Xiu land surface model (PX LSM) and ozone deposition model components taken directly from the meteorology and air quality modeling system—WRF/CMAQ (Weather Research and Forecast model and Community Multiscale Air Quality model). The photosynthesis-based model for PX LSM (PX PSN) is evaluated at a FLUXNET site for implementation against different parameterizations and the current PX LSM approach with a simple Jarvis function (PX Jarvis). Latent heat flux (LH) from PX PSN is further evaluated at five FLUXNET sites with different vegetation types and landscape characteristics. Simulated ozone deposition and flux from PX PSN are evaluated at one of the sites with ozone flux measurements. Overall, the PX PSN simulates LH as well as the PX Jarvis approach. The PX PSN, however, shows distinct advantages over the PX Jarvis approach for grassland that likely result from its treatment of C3 and C4 plants for CO2 assimilation. Simulations using Moderate Resolution Imaging Spectroradiometer (MODIS) leaf area index (LAI) rather than LAI measured at each site assess how the model would perform with grid averaged data used in WRF/CMAQ. MODIS LAI estimates degrade model performance at all sites but one site having exceptionally old and tall trees. Ozone deposition velocity and ozone flux along with LH

A pharmacophore model specific to active site of CYP1A2 with a novel molecular modeling explorer and CoMFA.

PubMed

Zhang, Tao; Wei, Dong-Qing; Chou, Kuo-Chen

2012-03-01

Comparative molecular field analysis (CoMFA) is a widely used 3D-QSAR method by which we can investigate the potential relation between biological activity of compounds and their structural features. In this study, a new application of this approach is presented by combining the molecular modeling with a new developed pharmacophore model specific to CYP1A2 active site. During constructing the model, we used the molecular dynamics simulation and molecular docking method to select the sensible binding conformations for 17 CYP1A2 substrates based on the experimental data. Subsequently, the results obtained via the alignment of binding conformations of substrates were projected onto the active- site residues, upon which a simple blueprint of active site was produced. It was validated by the experimental and computational results that the model did exhibit the high degree of rationality and provide useful insights into the substrate binding. It is anticipated that our approach can be extended to investigate the protein-ligand interactions for many other enzyme-catalyzed systems as well.

Two Simple Models for Fracking

NASA Astrophysics Data System (ADS)

Norris, Jaren Quinn

Recent developments in fracking have enable the recovery of oil and gas from tight shale reservoirs. These developments have also made fracking one of the most controversial environmental issues in the United States. Despite the growing controversy surrounding fracking, there is relatively little publicly available research. This dissertation introduces two simple models for fracking that were developed using techniques from non-linear and statistical physics. The first model assumes that the volume of induced fractures must be equal to the volume of injected fluid. For simplicity, these fractures are assumed to form a spherically symmetric damage region around the borehole. The predicted volumes of water necessary to create a damage region with a given radius are in good agreement with reported values. The second model is a modification of invasion percolation which was previously introduced to model water flooding. The reservoir rock is represented by a regular lattice of local traps that contain oil and/or gas separated by rock barriers. The barriers are assumed to be highly heterogeneous and are assigned random strengths. Fluid is injected from a central site and the weakest rock barrier breaks allowing fluid to flow into the adjacent site. The process repeats with the weakest barrier breaking and fluid flowing to an adjacent site each time step. Extensive numerical simulations were carried out to obtain statistical properties of the growing fracture network. The network was found to be fractal with fractal dimensions differing slightly from the accepted values for traditional percolation. Additionally, the network follows Horton-Strahler and Tokunaga branching statistics which have been used to characterize river networks. As with other percolation models, the growth of the network occurs in bursts. These bursts follow a power-law size distribution similar to observed microseismic events. Reservoir stress anisotropy is incorporated into the model by assigning horizontal bonds weaker strengths on average than vertical bonds. Numerical simulations show that increasing bond strength anisotropy tends to reduce the fractal dimension of the growing fracture network, and decrease the power-law slope of the burst size distribution. Although simple, these two models are useful for making informed decisions about fracking.

Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors.

PubMed

Wang, Shouming; Beck, Richard; Burd, Andrew; Blench, Toby; Marlin, Frederic; Ayele, Tenagne; Buxton, Stuart; Dagostin, Claudio; Malic, Maja; Joshi, Rina; Barry, John; Sajad, Mohammed; Cheung, Chiming; Shaikh, Shaheda; Chahwala, Suresh; Chander, Chaman; Baumgartner, Christine; Holthoff, Hans-Peter; Murray, Elizabeth; Blackney, Michael; Giddings, Amanda

2010-02-25

On the basis of our understanding on the binding interactions of the benzothiophene template within the FIXa active site by X-ray crystallography and molecular modeling studies, we developed our SAR strategy by targeting the 4-position of the template to access the S1 beta and S2-S4 sites. A number of highly selective and potent factor Xa (FXa) and FIXa inhibitors were identified by simple switch of functional groups with conformational changes toward the S2-S4 sites.

Simple transfer calibration method for a Cimel Sun-Moon photometer: calculating lunar calibration coefficients from Sun calibration constants.

PubMed

Li, Zhengqiang; Li, Kaitao; Li, Donghui; Yang, Jiuchun; Xu, Hua; Goloub, Philippe; Victori, Stephane

2016-09-20

The Cimel new technologies allow both daytime and nighttime aerosol optical depth (AOD) measurements. Although the daytime AOD calibration protocols are well established, accurate and simple nighttime calibration is still a challenging task. Standard lunar-Langley and intercomparison calibration methods both require specific conditions in terms of atmospheric stability and site condition. Additionally, the lunar irradiance model also has some known limits on its uncertainty. This paper presents a simple calibration method that transfers the direct-Sun calibration constant, V_0,Sun, to the lunar irradiance calibration coefficient, C_Moon. Our approach is a pure calculation method, independent of site limits, e.g., Moon phase. The method is also not affected by the lunar irradiance model limitations, which is the largest error source of traditional calibration methods. Besides, this new transfer calibration approach is easy to use in the field since C_Moon can be obtained directly once V_0,Sun is known. Error analysis suggests that the average uncertainty of C_Moon over the 440-1640 nm bands obtained with the transfer method is 2.4%-2.8%, depending on the V_0,Sun approach (Langley or intercomparison), which is comparable with that of lunar-Langley approach, theoretically. In this paper, the Sun-Moon transfer and the Langley methods are compared based on site measurements in Beijing, and the day-night measurement continuity and performance are analyzed.

A simplified gross primary production and evapotranspiration model for boreal coniferous forests - is a generic calibration sufficient?

NASA Astrophysics Data System (ADS)

Minunno, F.; Peltoniemi, M.; Launiainen, S.; Aurela, M.; Lindroth, A.; Lohila, A.; Mammarella, I.; Minkkinen, K.; Mäkelä, A.

2015-07-01

The problem of model complexity has been lively debated in environmental sciences as well as in the forest modelling community. Simple models are less input demanding and their calibration involves a lower number of parameters, but they might be suitable only at local scale. In this work we calibrated a simplified ecosystem process model (PRELES) to data from multiple sites and we tested if PRELES can be used at regional scale to estimate the carbon and water fluxes of Boreal conifer forests. We compared a multi-site (M-S) with site-specific (S-S) calibrations. Model calibrations and evaluations were carried out by the means of the Bayesian method; Bayesian calibration (BC) and Bayesian model comparison (BMC) were used to quantify the uncertainty in model parameters and model structure. To evaluate model performances BMC results were combined with more classical analysis of model-data mismatch (M-DM). Evapotranspiration (ET) and gross primary production (GPP) measurements collected in 10 sites of Finland and Sweden were used in the study. Calibration results showed that similar estimates were obtained for the parameters at which model outputs are most sensitive. No significant differences were encountered in the predictions of the multi-site and site-specific versions of PRELES with exception of a site with agricultural history (Alkkia). Although PRELES predicted GPP better than evapotranspiration, we concluded that the model can be reliably used at regional scale to simulate carbon and water fluxes of Boreal forests. Our analyses underlined also the importance of using long and carefully collected flux datasets in model calibration. In fact, even a single site can provide model calibrations that can be applied at a wider spatial scale, since it covers a wide range of variability in climatic conditions.

Combining tower mixing ratio and community model data to estimate regional-scale net ecosystem carbon exchange by boundary layer inversion over four flux towers in the United States

Treesearch

Xueri Dang; Chun-Ta Lai; David Y. Hollinger; Andrew J. Schauer; Jingfeng Xiao; J. William Munger; Clenton Owensby; James R. Ehleringer

2011-01-01

We evaluated an idealized boundary layer (BL) model with simple parameterizations using vertical transport information from community model outputs (NCAR/NCEP Reanalysis and ECMWF Interim Analysis) to estimate regional-scale net CO2 fluxes from 2002 to 2007 at three forest and one grassland flux sites in the United States. The BL modeling...

National Stormwater Calculator User's Guide – VERSION 1.1

EPA Science Inventory

This document is the user's guide for running EPA's National Stormwater Calculator (http://www.epa.gov/nrmrl/wswrd/wq/models/swc/). The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US.

Modeling temporal and large-scale spatial variability of soil respiration from soil water availability, temperature and vegetation productivity indices

NASA Astrophysics Data System (ADS)

Reichstein, Markus; Rey, Ana; Freibauer, Annette; Tenhunen, John; Valentini, Riccardo; Banza, Joao; Casals, Pere; Cheng, Yufu; Grünzweig, Jose M.; Irvine, James; Joffre, Richard; Law, Beverly E.; Loustau, Denis; Miglietta, Franco; Oechel, Walter; Ourcival, Jean-Marc; Pereira, Joao S.; Peressotti, Alessandro; Ponti, Francesca; Qi, Ye; Rambal, Serge; Rayment, Mark; Romanya, Joan; Rossi, Federica; Tedeschi, Vanessa; Tirone, Giampiero; Xu, Ming; Yakir, Dan

2003-12-01

Field-chamber measurements of soil respiration from 17 different forest and shrubland sites in Europe and North America were summarized and analyzed with the goal to develop a model describing seasonal, interannual and spatial variability of soil respiration as affected by water availability, temperature, and site properties. The analysis was performed at a daily and at a monthly time step. With the daily time step, the relative soil water content in the upper soil layer expressed as a fraction of field capacity was a good predictor of soil respiration at all sites. Among the site variables tested, those related to site productivity (e.g., leaf area index) correlated significantly with soil respiration, while carbon pool variables like standing biomass or the litter and soil carbon stocks did not show a clear relationship with soil respiration. Furthermore, it was evidenced that the effect of precipitation on soil respiration stretched beyond its direct effect via soil moisture. A general statistical nonlinear regression model was developed to describe soil respiration as dependent on soil temperature, soil water content, and site-specific maximum leaf area index. The model explained nearly two thirds of the temporal and intersite variability of soil respiration with a mean absolute error of 0.82 μmol m-2 s-1. The parameterized model exhibits the following principal properties: (1) At a relative amount of upper-layer soil water of 16% of field capacity, half-maximal soil respiration rates are reached. (2) The apparent temperature sensitivity of soil respiration measured as Q10 varies between 1 and 5 depending on soil temperature and water content. (3) Soil respiration under reference moisture and temperature conditions is linearly related to maximum site leaf area index. At a monthly timescale, we employed the approach by [2002] that used monthly precipitation and air temperature to globally predict soil respiration (T&P model). While this model was able to explain some of the month-to-month variability of soil respiration, it failed to capture the intersite variability, regardless of whether the original or a new optimized model parameterization was used. In both cases, the residuals were strongly related to maximum site leaf area index. Thus, for a monthly timescale, we developed a simple T&P&LAI model that includes leaf area index as an additional predictor of soil respiration. This extended but still simple model performed nearly as well as the more detailed time step model and explained 50% of the overall and 65% of the site-to-site variability. Consequently, better estimates of globally distributed soil respiration should be obtained with the new model driven by satellite estimates of leaf area index. Before application at the continental or global scale, this approach should be further tested in boreal, cold-temperate, and tropical biomes as well as for non-woody vegetation.

Size-Frequency Distributions of Rocks on Mars and Earth Analog Sites: Implications for Future Landed Missions

NASA Technical Reports Server (NTRS)

Golombeck, M.; Rapp, D.

1996-01-01

The size-frequency distribution of rocks and the Vicking landing sites and a variety of rocky locations on the Earth that formed from a number of geologic processes all have the general shape of simple exponential curves, which have been combined with remote sensing data and models on rock abundance to predict the frequency of boulders potentially hazardous to future Mars landers and rovers.

A simple temperature-based method to estimate heterogeneous frozen ground within a distributed watershed model

NASA Astrophysics Data System (ADS)

Follum, Michael L.; Niemann, Jeffrey D.; Parno, Julie T.; Downer, Charles W.

2018-05-01

Frozen ground can be important to flood production and is often heterogeneous within a watershed due to spatial variations in the available energy, insulation by snowpack and ground cover, and the thermal and moisture properties of the soil. The widely used continuous frozen ground index (CFGI) model is a degree-day approach and identifies frozen ground using a simple frost index, which varies mainly with elevation through an elevation-temperature relationship. Similarly, snow depth and its insulating effect are also estimated based on elevation. The objective of this paper is to develop a model for frozen ground that (1) captures the spatial variations of frozen ground within a watershed, (2) allows the frozen ground model to be incorporated into a variety of watershed models, and (3) allows application in data sparse environments. To do this, we modify the existing CFGI method within the gridded surface subsurface hydrologic analysis watershed model. Among the modifications, the snowpack and frost indices are simulated by replacing air temperature (a surrogate for the available energy) with a radiation-derived temperature that aims to better represent spatial variations in available energy. Ground cover is also included as an additional insulator of the soil. Furthermore, the modified Berggren equation, which accounts for soil thermal conductivity and soil moisture, is used to convert the frost index into frost depth. The modified CFGI model is tested by application at six test sites within the Sleepers River experimental watershed in Vermont. Compared to the CFGI model, the modified CFGI model more accurately captures the variations in frozen ground between the sites, inter-annual variations in frozen ground depths at a given site, and the occurrence of frozen ground.

Biomat development in soil treatment units for on-site wastewater treatment.

PubMed

Winstanley, H F; Fowler, A C

2013-10-01

We provide a simple mathematical model of the bioremediation of contaminated wastewater leaching into the subsoil below a septic tank percolation system. The model comprises a description of the percolation system's flows, together with equations describing the growth of biomass and the uptake of an organic contaminant concentration. By first rendering the model dimensionless, it can be partially solved, to provide simple insights into the processes which control the efficacy of the system. In particular, we provide quantitative insight into the effect of a near surface biomat on subsoil permeability; this can lead to trench ponding, and thus propagation of effluent further down the trench. Using the computed vadose zone flow field, the model can be simply extended to include reactive transport of other contaminants of interest.

Simple Models of SL-9 Impact Plumes

NASA Astrophysics Data System (ADS)

Harrington, J.; Deming, L. D.

1996-09-01

The impacts of the larger fragments of Comet Shomaker-Levy 9 on Jupiter left debris patterns of consistent appearance, likely caused by the landing of the observed impact plumes. Realistic fluid simulations of impact plume evolution may take months to years for even single computer runs. To provide guidance for these models and to elucidate the most basic aspects of the plumes, debris patterns, and their ultimate effect on the atmosphere, we have developed simple models that reproduce many of the key features. These Monte-Carlo models divide the plume into discrete mass elements, assign to them a velocity distribution based on numerical impact models, and follow their ballistic trajectories until they hit the planet. If particles go no higher than the observed ~ 3,000 km plume heights, they cannot reach the observed crescent pattern located ~ 10,000 km from the impact sites unless they slide horizontally after ballistic flight. By introducing parameterized sliding or higher trajectories, we can reproduce most of the observed impact features, including the central streak, the crescent, and the ephemeral ring located ~ 30,000 km from the impact sites. We also keep track of the amounts of energy and momentum delivered to the atmosphere as a function of time and location, for use in atmospheric models (D. Deming and J. Harrington, this meeting).

3D Documentation and BIM Modeling of Cultural Heritage Structures Using UAVs: The Case of the Foinikaria Church

NASA Astrophysics Data System (ADS)

Themistocleous, K.; Agapiou, A.; Hadjimitsis, D.

2016-10-01

The documentation of architectural cultural heritage sites has traditionally been expensive and labor-intensive. New innovative technologies, such as Unmanned Aerial Vehicles (UAVs), provide an affordable, reliable and straightforward method of capturing cultural heritage sites, thereby providing a more efficient and sustainable approach to documentation of cultural heritage structures. In this study, hundreds of images of the Panagia Chryseleousa church in Foinikaria, Cyprus were taken using a UAV with an attached high resolution camera. The images were processed to generate an accurate digital 3D model by using Structure in Motion techniques. Building Information Model (BIM) was then used to generate drawings of the church. The methodology described in the paper provides an accurate, simple and cost-effective method of documenting cultural heritage sites and generating digital 3D models using novel techniques and innovative methods.

A photosynthesis-based two-leaf canopy stomatal conductance model for meteorology and air quality modeling with WRF/CMAQ PX LSM

NASA Astrophysics Data System (ADS)

Ran, Limei; Pleim, Jonathan; Song, Conghe; Band, Larry; Walker, John T.; Binkowski, Francis S.

2017-02-01

A coupled photosynthesis-stomatal conductance model with single-layer sunlit and shaded leaf canopy scaling is implemented and evaluated in a diagnostic box model with the Pleim-Xiu land surface model (PX LSM) and ozone deposition model components taken directly from the meteorology and air quality modeling system - WRF/CMAQ (Weather Research and Forecast model and Community Multiscale Air Quality model). The photosynthesis-based model for PX LSM (PX PSN) is evaluated at a FLUXNET site for implementation against different parameterizations and the current PX LSM approach with a simple Jarvis function (PX Jarvis). Latent heat flux (LH) from PX PSN is further evaluated at five FLUXNET sites with different vegetation types and landscape characteristics. Simulated ozone deposition and flux from PX PSN are evaluated at one of the sites with ozone flux measurements. Overall, the PX PSN simulates LH as well as the PX Jarvis approach. The PX PSN, however, shows distinct advantages over the PX Jarvis approach for grassland that likely result from its treatment of C3 and C4 plants for CO2 assimilation. Simulations using Moderate Resolution Imaging Spectroradiometer (MODIS) leaf area index (LAI) rather than LAI measured at each site assess how the model would perform with grid averaged data used in WRF/CMAQ. MODIS LAI estimates degrade model performance at all sites but one site having exceptionally old and tall trees. Ozone deposition velocity and ozone flux along with LH are simulated especially well by the PX PSN compared to significant overestimation by the PX Jarvis for a grassland site.

Optimization Under Uncertainty of Site-Specific Turbine Configurations

NASA Astrophysics Data System (ADS)

Quick, J.; Dykes, K.; Graf, P.; Zahle, F.

2016-09-01

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. If there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtained with increasing risk aversion on the part of the designer.

Mesoscale carbon sequestration site screening and CCS infrastructure analysis.

PubMed

Keating, Gordon N; Middleton, Richard S; Stauffer, Philip H; Viswanathan, Hari S; Letellier, Bruce C; Pasqualini, Donatella; Pawar, Rajesh J; Wolfsberg, Andrew V

2011-01-01

We explore carbon capture and sequestration (CCS) at the meso-scale, a level of study between regional carbon accounting and highly detailed reservoir models for individual sites. We develop an approach to CO(2) sequestration site screening for industries or energy development policies that involves identification of appropriate sequestration basin, analysis of geologic formations, definition of surface sites, design of infrastructure, and analysis of CO(2) transport and storage costs. Our case study involves carbon management for potential oil shale development in the Piceance-Uinta Basin, CO and UT. This study uses new capabilities of the CO(2)-PENS model for site screening, including reservoir capacity, injectivity, and cost calculations for simple reservoirs at multiple sites. We couple this with a model of optimized source-sink-network infrastructure (SimCCS) to design pipeline networks and minimize CCS cost for a given industry or region. The CLEAR(uff) dynamical assessment model calculates the CO(2) source term for various oil production levels. Nine sites in a 13,300 km(2) area have the capacity to store 6.5 GtCO(2), corresponding to shale-oil production of 1.3 Mbbl/day for 50 years (about 1/4 of U.S. crude oil production). Our results highlight the complex, nonlinear relationship between the spatial deployment of CCS infrastructure and the oil-shale production rate.

Model Development and Process Analysis for Lean Cellular Design Planning in Aerospace Assembly and Manufacturing

NASA Astrophysics Data System (ADS)

Hilburn, Monty D.

Successful lean manufacturing and cellular manufacturing execution relies upon a foundation of leadership commitment and strategic planning built upon solid data and robust analysis. The problem for this study was to create and employ a simple lean transformation planning model and review process that could be used to identify functional support staff resources required to plan and execute lean manufacturing cells within aerospace assembly and manufacturing sites. The lean planning model was developed using available literature for lean manufacturing kaizen best practices and validated through a Delphi panel of lean experts. The resulting model and a standardized review process were used to assess the state of lean transformation planning at five sites of an international aerospace manufacturing and assembly company. The results of the three day, on-site review were compared with baseline plans collected from each of the five sites to determine if there analyzed, with focus on three critical areas of lean planning: the number and type of manufacturing cells identified, the number, type, and duration of planned lean and continuous kaizen events, and the quantity and type of functional staffing resources planned to support the kaizen schedule. Summarized data of the baseline and on-site reviews was analyzed with descriptive statistics. ANOVAs and paired-t tests at 95% significance level were conducted on the means of data sets to determine if null hypotheses related to cell, kaizen event, and support resources could be rejected. The results of the research found significant differences between lean transformation plans developed by site leadership and plans developed utilizing the structured, on-site review process and lean transformation planning model. The null hypothesis that there was no difference between the means of pre-review and on-site cell counts was rejected, as was the null hypothesis that there was no significant difference in kaizen event plans. These factors are critical inputs into the support staffing resources calculation used by the lean planning model. Null hypothesis related to functional support staff resources was rejected for most functional groups, indicating that the baseline site plan inadequately provided for cross-functional staff involvement to support the lean transformation plan. Null hypotheses related to total lean transformation staffing could not be rejected, indicating that while total staffing plans were not significantly different than plans developed during the on-site review and through the use of the lean planning model, the allocation of staffing among various functional groups such as engineering, production, and materials planning was an issue. The on-site review process and simple lean transformation plan developed was determined to be useful in identifying short-comings in lean transformation planning within aerospace manufacturing and assembly sites. It was concluded that the differences uncovered were likely contributing factors affecting the effectiveness of aerospace manufacturing sites' implementation of lean cellular manufacturing.

Allometric Models for Predicting Aboveground Biomass and Carbon Stock of Tropical Perennial C 4 Grasses in Hawaii

DOE PAGES

Youkhana, Adel H.; Ogoshi, Richard M.; Kiniry, James R.; ...

2017-05-02

Biomass is a promising renewable energy option that provides a more environmentally sustainable alternative to fossil resources by reducing the net flux of greenhouse gasses to the atmosphere. Yet, allometric models that allow the prediction of aboveground biomass (AGB), biomass carbon (C) stock non-destructively have not yet been developed for tropical perennial C 4 grasses currently under consideration as potential bioenergy feedstock in Hawaii and other subtropical and tropical locations. The objectives of this study were to develop optimal allometric relationships and site-specific models to predict AGB, biomass C stock of napiergrass, energycane, and sugarcane under cultivation practices for renewablemore » energy and validate these site-specific models against independent data sets generated from sites with widely different environments. Several allometric models were developed for each species from data at a low elevation field on the island of Maui, Hawaii. A simple power model with stalk diameter (D) was best related to AGB and biomass C stock for napiergrass, energycane, and sugarcane, (R 2 = 0.98, 0.96, and 0.97, respectively). The models were then tested against data collected from independent fields across an environmental gradient. For all crops, the models over-predicted AGB in plants with lower stalk D, but AGB was under-predicted in plants with higher stalk D. The models using stalk D were better for biomass prediction compared to dewlap H (Height from the base cut to most recently exposed leaf dewlap) models, which showed weak validation performance. Although stalk D model performed better, however, the mean square error (MSE)-systematic was ranged from 23 to 43 % of MSE for all crops. A strong relationship between model coefficient and rainfall was existed, although these were irrigated systems; suggesting a simple site-specific coefficient modulator for rainfall to reduce systematic errors in water-limited areas. These allometric equations provide a tool for farmers in the tropics to estimate perennial C4 grass biomass and C stock during decision-making for land management and as an environmental sustainability indicator within a renewable energy system.« less

Propagation of transition fronts in nonlinear chains with non-degenerate on-site potentials

NASA Astrophysics Data System (ADS)

Shiroky, I. B.; Gendelman, O. V.

2018-02-01

We address the problem of transition front propagation in chains with a bi-stable nondegenerate on-site potential and a nonlinear gradient coupling. For generic nonlinear coupling, one encounters a special regime of transitions, characterized by extremely narrow fronts, far supersonic velocities of the front propagation, and long waves in the oscillatory tail. This regime can be qualitatively associated with a shock wave. The front propagation can be described with the help of a simple reduced-order model; the latter delivers a kinetic law, which is almost not sensitive to the fine details of the on-site potential. Besides, it is possible to predict all main characteristics of the transition front, including its velocity, as well as the frequency and the amplitude of the oscillatory tail. Numerical results are in good agreement with the analytical predictions. The suggested approach allows one to consider the effects of an external pre-load, the next-nearest-neighbor coupling and the on-site damping. When the damping is moderate, it is possible to consider the shock propagation in the damped chain as a perturbation of the undamped dynamics. This approach yields reasonable predictions. When the damping is high, the transition front enters a completely different asymptotic regime of a subsonic kink. The gradient nonlinearity generically turns negligible, and the propagating front converges to the regime described by a simple exact solution for a continuous model with linear coupling.

Describing Site Amplification for Surface Waves in Realistic Basins

NASA Astrophysics Data System (ADS)

Bowden, D. C.; Tsai, V. C.

2017-12-01

Standard characterizations of site-specific site response assume a vertically-incident shear wave; given a 1D velocity profile, amplification and resonances can be calculated based on conservation of energy. A similar approach can be applied to surface waves, resulting in an estimate of amplification relative to a hard rock site that is different in terms of both amount of amplification and frequency. This prediction of surface-wave site amplification has been well validated through simple simulations, and in this presentation we explore the extent to which a 1D profile can explain observed amplifications in more realistic scenarios. Comparisons of various simple 2D and 3D simulations, for example, allow us to explore the effect of different basin shapes and the relative importance of effects such as focusing, conversion of wave-types and lateral surface wave resonances. Additionally, the 1D estimates for vertically-incident shear waves and for surface waves are compared to spectral ratios of historic events in deep sedimentary basins to demonstrate the appropriateness of the two different predictions. This difference in amplification responses between the wave types implies that a single measurement of site response, whether analytically calculated from 1D models or empirically observed, is insufficient for regions where surface waves play a strong role.

Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables.

PubMed

Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

2016-12-02

We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems.

A simple generative model of collective online behavior.

PubMed

Gleeson, James P; Cellai, Davide; Onnela, Jukka-Pekka; Porter, Mason A; Reed-Tsochas, Felix

2014-07-22

Human activities increasingly take place in online environments, providing novel opportunities for relating individual behaviors to population-level outcomes. In this paper, we introduce a simple generative model for the collective behavior of millions of social networking site users who are deciding between different software applications. Our model incorporates two distinct mechanisms: one is associated with recent decisions of users, and the other reflects the cumulative popularity of each application. Importantly, although various combinations of the two mechanisms yield long-time behavior that is consistent with data, the only models that reproduce the observed temporal dynamics are those that strongly emphasize the recent popularity of applications over their cumulative popularity. This demonstrates--even when using purely observational data without experimental design--that temporal data-driven modeling can effectively distinguish between competing microscopic mechanisms, allowing us to uncover previously unidentified aspects of collective online behavior.

A simple generative model of collective online behavior

PubMed Central

Gleeson, James P.; Cellai, Davide; Onnela, Jukka-Pekka; Porter, Mason A.; Reed-Tsochas, Felix

2014-01-01

Human activities increasingly take place in online environments, providing novel opportunities for relating individual behaviors to population-level outcomes. In this paper, we introduce a simple generative model for the collective behavior of millions of social networking site users who are deciding between different software applications. Our model incorporates two distinct mechanisms: one is associated with recent decisions of users, and the other reflects the cumulative popularity of each application. Importantly, although various combinations of the two mechanisms yield long-time behavior that is consistent with data, the only models that reproduce the observed temporal dynamics are those that strongly emphasize the recent popularity of applications over their cumulative popularity. This demonstrates—even when using purely observational data without experimental design—that temporal data-driven modeling can effectively distinguish between competing microscopic mechanisms, allowing us to uncover previously unidentified aspects of collective online behavior. PMID:25002470

A simplified 137Cs transport model for estimating erosion rates in undisturbed soil.

PubMed

Zhang, Xinbao; Long, Yi; He, Xiubin; Fu, Jiexiong; Zhang, Yunqi

2008-08-01

(137)Cs is an artificial radionuclide with a half-life of 30.12 years which released into the environment as a result of atmospheric testing of thermo-nuclear weapons primarily during the period of 1950s-1970s with the maximum rate of (137)Cs fallout from atmosphere in 1963. (137)Cs fallout is strongly and rapidly adsorbed by fine particles in the surface horizons of the soil, when it falls down on the ground mostly with precipitation. Its subsequent redistribution is associated with movements of the soil or sediment particles. The (137)Cs nuclide tracing technique has been used for assessment of soil losses for both undisturbed and cultivated soils. For undisturbed soils, a simple profile-shape model was developed in 1990 to describe the (137)Cs depth distribution in profile, where the maximum (137)Cs occurs in the surface horizon and it exponentially decreases with depth. The model implied that the total (137)Cs fallout amount deposited on the earth surface in 1963 and the (137)Cs profile shape has not changed with time. The model has been widely used for assessment of soil losses on undisturbed land. However, temporal variations of (137)Cs depth distribution in undisturbed soils after its deposition on the ground due to downward transport processes are not considered in the previous simple profile-shape model. Thus, the soil losses are overestimated by the model. On the base of the erosion assessment model developed by Walling, D.E., He, Q. [1999. Improved models for estimating soil erosion rates from cesium-137 measurements. Journal of Environmental Quality 28, 611-622], we discuss the (137)Cs transport process in the eroded soil profile and make some simplification to the model, develop a method to estimate the soil erosion rate more expediently. To compare the soil erosion rates calculated by the simple profile-shape model and the simple transport model, the soil losses related to different (137)Cs loss proportions of the reference inventory at the Kaixian site of the Three Gorge Region, China are estimated by the two models. The over-estimation of the soil loss by using the previous simple profile-shape model obviously increases with the time period from the sampling year to the year of 1963 and (137)Cs loss proportion of the reference inventory. As to 20-80% of (137)Cs loss proportions of the reference inventory at the Kaixian site in 2004, the annual soil loss depths estimated by the new simplified transport process model are only 57.90-56.24% of the values estimated by the previous model.

Generalized estimators of avian abundance from count survey data

USGS Publications Warehouse

Royle, J. Andrew

2004-01-01

I consider modeling avian abundance from spatially referenced bird count data collected according to common protocols such as capture?recapture, multiple observer, removal sampling and simple point counts. Small sample sizes and large numbers of parameters have motivated many analyses that disregard the spatial indexing of the data, and thus do not provide an adequate treatment of spatial structure. I describe a general framework for modeling spatially replicated data that regards local abundance as a random process, motivated by the view that the set of spatially referenced local populations (at the sample locations) constitute a metapopulation. Under this view, attention can be focused on developing a model for the variation in local abundance independent of the sampling protocol being considered. The metapopulation model structure, when combined with the data generating model, define a simple hierarchical model that can be analyzed using conventional methods. The proposed modeling framework is completely general in the sense that broad classes of metapopulation models may be considered, site level covariates on detection and abundance may be considered, and estimates of abundance and related quantities may be obtained for sample locations, groups of locations, unsampled locations. Two brief examples are given, the first involving simple point counts, and the second based on temporary removal counts. Extension of these models to open systems is briefly discussed.

Modeling Protein Domain Function

ERIC Educational Resources Information Center

Baker, William P.; Jones, Carleton "Buck"; Hull, Elizabeth

2007-01-01

This simple but effective laboratory exercise helps students understand the concept of protein domain function. They use foam beads, Styrofoam craft balls, and pipe cleaners to explore how domains within protein active sites interact to form a functional protein. The activity allows students to gain content mastery and an understanding of the…

Optimizing Aerobot Exploration of Venus

NASA Astrophysics Data System (ADS)

Ford, Kevin S.

1997-03-01

Venus Flyer Robot (VFR) is an aerobot; an autonomous balloon probe designed for remote exploration of Earth's sister planet in 2003. VFR's simple navigation and control system permits travel to virtually any location on Venus, but it can survive for only a limited duration in the harsh Venusian environment. To help address this limitation, we develop: (1) a global circulation model that captures the most important characteristics of the Venusian atmosphere; (2) a simple aerobot model that captures thermal restrictions faced by VFR at Venus; and (3) one exact and two heuristic algorithms that, using abstractions (1) and (2), construct routes making the best use of VFR's limited lifetime. We demonstrate this modeling by planning several small example missions and a prototypical mission that explores numerous interesting sites recently documented in the plane tary geology literature.

Optimizing Aerobot Exploration of Venus

NASA Technical Reports Server (NTRS)

Ford, Kevin S.

1997-01-01

Venus Flyer Robot (VFR) is an aerobot; an autonomous balloon probe designed for remote exploration of Earth's sister planet in 2003. VFR's simple navigation and control system permits travel to virtually any location on Venus, but it can survive for only a limited duration in the harsh Venusian environment. To help address this limitation, we develop: (1) a global circulation model that captures the most important characteristics of the Venusian atmosphere; (2) a simple aerobot model that captures thermal restrictions faced by VFR at Venus; and (3) one exact and two heuristic algorithms that, using abstractions (1) and (2), construct routes making the best use of VFR's limited lifetime. We demonstrate this modeling by planning several small example missions and a prototypical mission that explores numerous interesting sites recently documented in the plane tary geology literature.

Prediction of quantum interference in molecular junctions using a parabolic diagram: Understanding the origin of Fano and anti- resonances

NASA Astrophysics Data System (ADS)

Nozaki, Daijiro; Avdoshenko, Stanislav M.; Sevinçli, Hâldun; Gutierrez, Rafael; Cuniberti, Gianaurelio

2013-03-01

Recently the interest in quantum interference (QI) phenomena in molecular devices (molecular junctions) has been growing due to the unique features observed in the transmission spectra. In order to design single molecular devices exploiting QI effects as desired, it is necessary to provide simple rules for predicting the appearance of QI effects such as anti-resonances or Fano line shapes and for controlling them. In this study, we derive a transmission function of a generic molecular junction with a side group (T-shaped molecular junction) using a minimal toy model. We developed a simple method to predict the appearance of quantum interference, Fano resonances or anti- resonances, and its position in the conductance spectrum by introducing a simple graphical representation (parabolic model). Using it we can easily visualize the relation between the key electronic parameters and the positions of normal resonant peaks and anti-resonant peaks induced by quantum interference in the conductance spectrum. We also demonstrate Fano and anti-resonance in T-shaped molecular junctions using a simple tight-binding model. This parabolic model enables one to infer on-site energies of T-shaped molecules and the coupling between side group and main conduction channel from transmission spectra.

STEMS-Air: a simple GIS-based air pollution dispersion model for city-wide exposure assessment.

PubMed

Gulliver, John; Briggs, David

2011-05-15

Current methods of air pollution modelling do not readily meet the needs of air pollution mapping for short-term (i.e. daily) exposure studies. The main limiting factor is that for those few models that couple with a GIS there are insufficient tools for directly mapping air pollution both at high spatial resolution and over large areas (e.g. city wide). A simple GIS-based air pollution model (STEMS-Air) has been developed for PM(10) to meet these needs with the option to choose different exposure averaging periods (e.g. daily and annual). STEMS-Air uses the grid-based FOCALSUM function in ArcGIS in conjunction with a fine grid of emission sources and basic information on meteorology to implement a simple Gaussian plume model of air pollution dispersion. STEMS-Air was developed and validated in London, UK, using data on concentrations of PM(10) from routinely available monitoring data. Results from the validation study show that STEMS-Air performs well in predicting both daily (at four sites) and annual (at 30 sites) concentrations of PM(10). For daily modelling, STEMS-Air achieved r(2) values in the range 0.19-0.43 (p<0.001) based solely on traffic-related emissions and r(2) values in the range 0.41-0.63 (p<0.001) when adding information on 'background' levels of PM(10). For annual modelling of PM(10), the model returned r(2) in the range 0.67-0.77 (P<0.001) when compared with monitored concentrations. The model can thus be used for rapid production of daily or annual city-wide air pollution maps either as a screening process in urban air quality planning and management, or as the basis for health risk assessment and epidemiological studies. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

An Inductive Logic Programming Approach to Validate Hexose Binding Biochemical Knowledge.

PubMed

Nassif, Houssam; Al-Ali, Hassan; Khuri, Sawsan; Keirouz, Walid; Page, David

2010-01-01

Hexoses are simple sugars that play a key role in many cellular pathways, and in the regulation of development and disease mechanisms. Current protein-sugar computational models are based, at least partially, on prior biochemical findings and knowledge. They incorporate different parts of these findings in predictive black-box models. We investigate the empirical support for biochemical findings by comparing Inductive Logic Programming (ILP) induced rules to actual biochemical results. We mine the Protein Data Bank for a representative data set of hexose binding sites, non-hexose binding sites and surface grooves. We build an ILP model of hexose-binding sites and evaluate our results against several baseline machine learning classifiers. Our method achieves an accuracy similar to that of other black-box classifiers while providing insight into the discriminating process. In addition, it confirms wet-lab findings and reveals a previously unreported Trp-Glu amino acids dependency.

Investigations in site response from ground motion observations in vertical arrays

NASA Astrophysics Data System (ADS)

Baise, Laurie Gaskins

The aim of the research is to improve the understanding of earthquake site response and to improve the techniques available to investigate issues in this field. Vertical array ground motion data paired with the empirical transfer function (ETF) methodology is shown to accurately characterize site response. This manuscript draws on methods developed in the field of signal processing and statistical time series analysis to parameterize the ETF as an autoregressive moving-average (ARMA) system which is justified theoretically, historically, and by example. Site response is evaluated at six sites in California, Japan, and Taiwan using ETF estimates, correlation analysis, and full waveform modeling. Correlation analysis is proposed as a required data quality evaluation imperative to any subsequent site response analysis. ETF estimates and waveform modeling are used to decipher the site response at sites with simple and complex geologic structure, which provide simple time-invariant and time-variant methods for evaluating both linear site transfer functions and nonlinear site response for sites experiencing liquefaction of the soils. The Treasure and Yerba Buena Island sites, however, require 2-D waveform modeling to accurately evaluate the effects of the shallow sedimentary basin. ETFs are used to characterize the Port Island site and corresponding shake table tests before, during, and after liquefaction. ETFs derived from the shake table tests were demonstrated to consistently predict the linear field ground response below 16 m depth and the liquefied behavior above 15 m depth. The liquefied interval response was demonstrated to gradually return to pre-liquefied conditions within several weeks of the 1995 Hyogo-ken Nanbu earthquake. Both the site's and the shake table test's response were shown to be effectively linear up to 0.5 g in the native materials below 16 m depth. The effective linearity of the site response at GVDA, Chiba, and Lotting up to 0.1 g, 0.33 g, and 0.49 g, respectively, further confirms that site response in the field may be more linear than expected from laboratory tests. Strong motions were predicted at these sites with normalized mean square error less than 0.10 using ETFs generated from weak motions. The Treasure Island site response was shown to be dominated by surface waves propagating in the shallow sediments of the San Francisco Bay. Low correlation of the ground motions recorded on rock at Yerba Buena Island and in rock beneath the Treasure Island site intimates that the Yerba Buena site is an inappropriate reference site for Treasure Island site response studies. Accurate simulation of the Treasure Island site response was achieved using a 2-D velocity structure comprised of a 100 m uniform soil basin (Vs = 400 m/s) over a weathered rock veneer (Vs = 1.5 km/s) to 200 m depth.

Optimization Under Uncertainty of Site-Specific Turbine Configurations

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

Quick, J.; Dykes, K.; Graf, P.

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. Lastly, if there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtainedmore » with increasing risk aversion on the part of the designer.« less

Optimization under Uncertainty of Site-Specific Turbine Configurations: Preprint

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

Quick, Julian; Dykes, Katherine; Graf, Peter

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. If there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtained withmore » increasing risk aversion on the part of the designer.« less

Optimization Under Uncertainty of Site-Specific Turbine Configurations

DOE PAGES

Quick, J.; Dykes, K.; Graf, P.; ...

2016-10-03

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. Lastly, if there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtainedmore » with increasing risk aversion on the part of the designer.« less

Applying the concept of ecohydrological equilibrium to predict steady-state leaf area index for Australian ecosystems

NASA Astrophysics Data System (ADS)

Yang, J.; Medlyn, B.; De Kauwe, M. G.; Duursma, R.

2017-12-01

Leaf Area Index (LAI) is a key variable in modelling terrestrial vegetation, because it has a major impact on carbon, water and energy fluxes. However, LAI is difficult to predict: several recent intercomparisons have shown that modelled LAI differs significantly among models, and between models and satellite-derived estimates. Empirical studies show that long-term mean LAI is strongly related to mean annual precipitation. This observation is predicted by the theory of ecohydrological equilibrium, which provides a promising alternative means to predict steady-state LAI. We implemented this theory in a simple optimisation model. We hypothesized that, when water availability is limited, plants should adjust long-term LAI and stomatal behavior (g1) to maximize net canopy carbon export, under the constraint that canopy transpiration is a fixed fraction of total precipitation. We evaluated the predicted LAI (Lopt) for Australia against ground-based observations of LAI at 135 sites, and continental-scale satellite-derived estimates. For the site-level data, the RMSE of predicted Lopt was 0.14 m2 m-2, which was similar to the RMSE of a comparison of the data against nine-year mean satellite-derived LAI at those sites. Continentally, Lopt had a R2 of over 70% when compared to satellite-derived LAI, which is comparable to the R2 obtained when different satellite products are compared against each other. The predicted response of Lopt to the increase in atmospheric CO2 over the last 30 years also agreed with the estimate based on satellite-derivatives. Our results indicate that long-term equilibrium LAI can be successfully predicted from a simple application of ecohydrological theory. We suggest that this theory could be usefully incorporated into terrestrial vegetation models to improve their predictions of LAI.

Crystal structure refinement of reedmergnerite, the boron analog of albite

USGS Publications Warehouse

Clark, J.R.; Appleman, D.E.

1960-01-01

Ordering of boron in a feldspar crystallographic site T1(0) has been found in reedmergnerite, which has silicon-oxygen and sodium-oxygen distances comparable to those in isostructural low albite. If a simple ionic model is assumed, calculated bond strengths yield a considerable charge imbalance in reedmergnerite, an indication of the inadequacy of the model with respect to these complex structures and of the speculative nature of conclusions based on such a model.

A reappraisal of drug release laws using Monte Carlo simulations: the prevalence of the Weibull function.

PubMed

Kosmidis, Kosmas; Argyrakis, Panos; Macheras, Panos

2003-07-01

To verify the Higuchi law and study the drug release from cylindrical and spherical matrices by means of Monte Carlo computer simulation. A one-dimensional matrix, based on the theoretical assumptions of the derivation of the Higuchi law, was simulated and its time evolution was monitored. Cylindrical and spherical three-dimensional lattices were simulated with sites at the boundary of the lattice having been denoted as leak sites. Particles were allowed to move inside it using the random walk model. Excluded volume interactions between the particles was assumed. We have monitored the system time evolution for different lattice sizes and different initial particle concentrations. The Higuchi law was verified using the Monte Carlo technique in a one-dimensional lattice. It was found that Fickian drug release from cylindrical matrices can be approximated nicely with the Weibull function. A simple linear relation between the Weibull function parameters and the specific surface of the system was found. Drug release from a matrix, as a result of a diffusion process assuming excluded volume interactions between the drug molecules, can be described using a Weibull function. This model, although approximate and semiempirical, has the benefit of providing a simple physical connection between the model parameters and the system geometry, which was something missing from other semiempirical models.

Global horizontal irradiance clear sky models : implementation and analysis.

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

Stein, Joshua S.; Hansen, Clifford W.; Reno, Matthew J.

2012-03-01

Clear sky models estimate the terrestrial solar radiation under a cloudless sky as a function of the solar elevation angle, site altitude, aerosol concentration, water vapor, and various atmospheric conditions. This report provides an overview of a number of global horizontal irradiance (GHI) clear sky models from very simple to complex. Validation of clear-sky models requires comparison of model results to measured irradiance during clear-sky periods. To facilitate validation, we present a new algorithm for automatically identifying clear-sky periods in a time series of GHI measurements. We evaluate the performance of selected clear-sky models using measured data from 30 differentmore » sites, totaling about 300 site-years of data. We analyze the variation of these errors across time and location. In terms of error averaged over all locations and times, we found that complex models that correctly account for all the atmospheric parameters are slightly more accurate than other models, but, primarily at low elevations, comparable accuracy can be obtained from some simpler models. However, simpler models often exhibit errors that vary with time of day and season, whereas the errors for complex models vary less over time.« less

Diagnostic tools for mixing models of stream water chemistry

USGS Publications Warehouse

Hooper, Richard P.

2003-01-01

Mixing models provide a useful null hypothesis against which to evaluate processes controlling stream water chemical data. Because conservative mixing of end‐members with constant concentration is a linear process, a number of simple mathematical and multivariate statistical methods can be applied to this problem. Although mixing models have been most typically used in the context of mixing soil and groundwater end‐members, an extension of the mathematics of mixing models is presented that assesses the “fit” of a multivariate data set to a lower dimensional mixing subspace without the need for explicitly identified end‐members. Diagnostic tools are developed to determine the approximate rank of the data set and to assess lack of fit of the data. This permits identification of processes that violate the assumptions of the mixing model and can suggest the dominant processes controlling stream water chemical variation. These same diagnostic tools can be used to assess the fit of the chemistry of one site into the mixing subspace of a different site, thereby permitting an assessment of the consistency of controlling end‐members across sites. This technique is applied to a number of sites at the Panola Mountain Research Watershed located near Atlanta, Georgia.

Measurement of Pressure Responses in a Physical Model of a Human Head with High Shape Fidelity Based on Ct/mri Data

NASA Astrophysics Data System (ADS)

Miyazaki, Yusuke; Tachiya, Hiroshi; Anata, Kenji; Hojo, Akihiro

This study discusses a head injury mechanism in case of a human head subjected to impact, from results of impact experiments by using a physical model of a human head with high-shape fidelity. The physical model was constructed by using rapid prototyping technology from the three-dimensional CAD data, which obtained from CT/MRI images of a subject's head. As results of the experiments, positive pressure responses occurred at the impacted site, whereas negative pressure responses occurred at opposite the impacted site. Moreover, the absolute maximum value of pressure occurring at the frontal region of the intracranial space of the head model resulted in same or higher than that at the occipital site in each case that the impact force was imposed on frontal or occipital region. This result has not been showed in other study using simple shape physical models. And, the result corresponds with clinical evidences that brain contusion mainly occurs at the frontal part in each impact direction. Thus, physical model with accurate skull shape is needed to clarify the mechanism of brain contusion.

Statistical mechanical models for dissociative adsorption of O2 on metal(100) surfaces with blocking, steering, and funneling

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

Evans, James W.; Liu, Da-Jiang

We develop statistical mechanical models amenable to analytic treatment for the dissociative adsorption of O2 at hollow sites on fcc(100) metal surfaces. The models incorporate exclusion of nearest-neighbor pairs of adsorbed O. However, corresponding simple site-blocking models, where adsorption requires a large ensemble of available sites, exhibit an anomalously fast initial decrease in sticking. Thus, in addition to blocking, our models also incorporate more facile adsorption via orientational steering and funneling dynamics (features supported by ab initio Molecular Dynamics studies). Behavior for equilibrated adlayers is distinct from those with finite adspecies mobility. We focus on the low-temperature limited-mobility regime wheremore » analysis of the associated master equations readily produces exact results for both short- and long-time behavior. Kinetic Monte Carlo simulation is also utilized to provide a more complete picture of behavior. These models capture both the initial decrease and the saturation of the experimentally observed sticking versus coverage, as well as features of non-equilibrium adlayer ordering as assessed by surface-sensitive diffraction.« less

Statistical mechanical models for dissociative adsorption of O{sub 2} on metal(100) surfaces with blocking, steering, and funneling

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

Evans, James W.; Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011; Liu, Da-Jiang

We develop statistical mechanical models amenable to analytic treatment for the dissociative adsorption of O{sub 2} at hollow sites on fcc(100) metal surfaces. The models incorporate exclusion of nearest-neighbor pairs of adsorbed O. However, corresponding simple site-blocking models, where adsorption requires a large ensemble of available sites, exhibit an anomalously fast initial decrease in sticking. Thus, in addition to blocking, our models also incorporate more facile adsorption via orientational steering and funneling dynamics (features supported by ab initio Molecular Dynamics studies). Behavior for equilibrated adlayers is distinct from those with finite adspecies mobility. We focus on the low-temperature limited-mobility regimemore » where analysis of the associated master equations readily produces exact results for both short- and long-time behavior. Kinetic Monte Carlo simulation is also utilized to provide a more complete picture of behavior. These models capture both the initial decrease and the saturation of the experimentally observed sticking versus coverage, as well as features of non-equilibrium adlayer ordering as assessed by surface-sensitive diffraction.« less

Magnetotelluric studies at the Cerro Prieto geothermal field

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

Goubau, W.M.; Goldstein, N.E.; Clarke, J.

During three years of magnetotelluric surveying, data were acquired at 26 sites distributed over 190 km/sup 2/ around the production area. A relatively well-defined strike of N27W +- 1.5/sup 0/ (magnetic) was established. The simple model shown suggests a lateral discontinuity in the vicinity of Nueva Leon.

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

NASA Astrophysics Data System (ADS)

Rodgers, Jocelyn M.; Weeks, John D.

2009-12-01

Coulomb interactions are present in a wide variety of all-atom force fields. Spherical truncations of these interactions permit fast simulations but are problematic due to their incorrect thermodynamics. Herein we demonstrate that simple analytical corrections for the thermodynamics of uniform truncated systems are possible. In particular, results for the simple point charge/extended (SPC/E) water model treated with spherically truncated Coulomb interactions suggested by local molecular field theory [J. M. Rodgers and J. D. Weeks, Proc. Natl. Acad. Sci. U.S.A. 105, 19136 (2008)] are presented. We extend the results developed by Chandler [J. Chem. Phys. 65, 2925 (1976)] so that we may treat the thermodynamics of mixtures of flexible charged and uncharged molecules simulated with spherical truncations. We show that the energy and pressure of spherically truncated bulk SPC/E water are easily corrected using exact second-moment-like conditions on long-ranged structure. Furthermore, applying the pressure correction as an external pressure removes the density errors observed by other research groups in NPT simulations of spherically truncated bulk species.

β-Lactam antibiotics. Spectroscopy and molecular orbital (MO) calculations . Part I: IR studies of complexation in penicillin-transition metal ion systems and semi-empirical PM3 calculations on simple model compounds

NASA Astrophysics Data System (ADS)

Kupka, Teobald

1997-12-01

IR studies were preformed to determine possible transition metal ion binding sites of penicillin. the observed changes in spectral position and shape of characteristic IR bands of cloxacillin in the presence of transition metal ions (both in solutions and in the solid state) indicate formation of M-L complexes with engagement of -COO - and/or -CONH- functional groups. The small shift of νCO towards higher frequencies rules out direct M-L interaction via β-lactam carbonyl. PM3 calculations on simple model compounds (substituted formamide, cyclic ketones, lactams and substituted monocyclic β-lactams) have been performed. All structures were fully optimized and the calculated bond lengths, angles, heats of formation and CO stretching frequencies were discussed to determine the β-lactam binding sites and to explain its susceptibility towards nucleophilic attack (hydrolysis in vitro) and biological activity. The relative changes of calculated values were critically compared with available experimental data and same correlation between structural parameters and in vivo activity was shown.

[Disposable nursing applicator-pocket of indwelling central venous catheter].

PubMed

Wei, Congli; Ma, Chunyuan

2017-11-01

Catheter related infection is the most common complication of central venous catheter, which pathogen mainly originate from the pipe joint and the skin around puncture site. How to prevent catheter infection is an important issue in clinical nursing. The utility model disclosed a "disposable nursing applicator-pocket of indwelling central venous catheter", which is mainly used for the fixation and the protection. The main structure consists of two parts, one is medical applicator to protect the skin around puncture site, and the other is gauze pocket to protect the catheter external connector. When in use, the catheter connector is fitted into the pocket, and then the applicator is applied to cover the puncture point of the skin. Integrated design of medical applicator and gauze pocket was designed to realize double functions of fixation and protection. The disposable nursing applicator-pocket is made of medical absorbent gauze (outer layer) and non-woven fabric (inner layer), which has the characteristics of comfortable, breathable, dust filtered, bacteria filtered, waterproof, antiperspirant and anti-pollution. The utility model has the advantages of simple structure, low cost, simple operation, effective protection, easy realization and popularization.

Occupation probabilities and fluctuations in the asymmetric simple inclusion process

NASA Astrophysics Data System (ADS)

Reuveni, Shlomi; Hirschberg, Ori; Eliazar, Iddo; Yechiali, Uri

2014-04-01

The asymmetric simple inclusion process (ASIP), a lattice-gas model of unidirectional transport and aggregation, was recently proposed as an "inclusion" counterpart of the asymmetric simple exclusion process. In this paper we present an exact closed-form expression for the probability that a given number of particles occupies a given set of consecutive lattice sites. Our results are expressed in terms of the entries of Catalan's trapezoids—number arrays which generalize Catalan's numbers and Catalan's triangle. We further prove that the ASIP is asymptotically governed by the following: (i) an inverse square-root law of occupation, (ii) a square-root law of fluctuation, and (iii) a Rayleigh law for the distribution of interexit times. The universality of these results is discussed.

MetaPlotR: a Perl/R pipeline for plotting metagenes of nucleotide modifications and other transcriptomic sites.

PubMed

Olarerin-George, Anthony O; Jaffrey, Samie R

2017-05-15

An increasing number of studies are mapping protein binding and nucleotide modifications sites throughout the transcriptome. Often, these sites cluster in certain regions of the transcript, giving clues to their function. Hence, it is informative to summarize where in the transcript these sites occur. A metagene is a simple and effective tool for visualizing the distribution of sites along a simplified transcript model. In this work, we introduce MetaPlotR, a Perl/R pipeline for creating metagene plots. The code and associated tutorial are available at https://github.com/olarerin/metaPlotR . srj2003@med.cornell.edu. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Constraints and Approach for Selecting the Mars Surveyor '01 Landing Site

NASA Technical Reports Server (NTRS)

Golombek, M.; Bridges, N.; Gilmore, M.; Haldemann, A.; Parker, T.; Saunders, R.; Spencer, D.; Smith, J.; Weitz, C.

1999-01-01

There are many similarities between the Mars Surveyor '01 (MS '01) landing site selection process and that of Mars Pathfinder. The selection process includes two parallel activities in which engineers define and refine the capabilities of the spacecraft through design, testing and modeling and scientists define a set of landing site constraints based on the spacecraft design and landing scenario. As for Pathfinder, the safety of the site is without question the single most important factor, for the simple reason that failure to land safely yields no science and exposes the mission and program to considerable risk. The selection process must be thorough and defensible and capable of surviving multiple withering reviews similar to the Pathfinder decision. On Pathfinder, this was accomplished by attempting to understand the surface properties of sites using available remote sensing data sets and models based on them. Science objectives are factored into the selection process only after the safety of the site is validated. Finally, as for Pathfinder, the selection process is being done in an open environment with multiple opportunities for community involvement including open workshops, with education and outreach opportunities.

Constraints, Approach and Present Status for Selecting the Mars Surveyor 2001 Landing Site

NASA Technical Reports Server (NTRS)

Golombek, M.; Anderson, F.; Bridges, N.; Briggs, G.; Gilmore, M.; Gulick, V.; Haldemann, A.; Parker, T.; Saunders, R.; Spencer, D.;

Assessment of Alternative Conceptual Models Using Reactive Transport Modeling with Monitoring Data

NASA Astrophysics Data System (ADS)

Dai, Z.; Price, V.; Heffner, D.; Hodges, R.; Temples, T.; Nicholson, T.

2005-12-01

Monitoring data proved very useful in evaluating alternative conceptual models, simulating contaminant transport behavior, and reducing uncertainty. A graded approach using three alternative conceptual site models was formulated to simulate a field case of tetrachloroethene (PCE) transport and biodegradation. These models ranged from simple to complex in their representation of subsurface heterogeneities. The simplest model was a single-layer homogeneous aquifer that employed an analytical reactive transport code, BIOCHLOR (Aziz et al., 1999). Due to over-simplification of the aquifer structure, this simulation could not reproduce the monitoring data. The second model consisted of a multi-layer conceptual model, in combination with numerical modules, MODFLOW and RT3D within GMS, to simulate flow and reactive transport. Although the simulation results from the second model were comparatively better than those from the simple model, they still did not adequately reproduce the monitoring well concentrations because the geological structures were still inadequately defined. Finally, a more realistic conceptual model was formulated that incorporated heterogeneities and geologic structures identified from well logs and seismic survey data using the Petra and PetraSeis software. This conceptual model included both a major channel and a younger channel that were detected in the PCE source area. In this model, these channels control the local ground-water flow direction and provide a preferential chemical transport pathway. Simulation results using this conceptual site model proved compatible with the monitoring concentration data. This study demonstrates that the bias and uncertainty from inadequate conceptual models are much larger than those introduced from an inadequate choice of model parameter values (Neuman and Wierenga, 2003; Meyer et al., 2004; Ye et al., 2004). This case study integrated conceptual and numerical models, based on interpreted local hydrogeologic and geochemical data, with detailed monitoring plume data. It provided key insights for confirming alternative conceptual site models and assessing the performance of monitoring networks. A monitoring strategy based on this graded approach for assessing alternative conceptual models can provide the technical bases for identifying critical monitoring locations, adequate monitoring frequency, and performance indicator parameters for performance monitoring involving ground-water levels and PCE concentrations.

Electric Fields and Enzyme Catalysis

PubMed Central

Fried, Stephen D.; Boxer, Steven G.

2017-01-01

What happens inside an enzyme’s active site to allow slow and difficult chemical reactions to occur so rapidly? This question has occupied biochemists’ attention for a long time. Computer models of increasing sophistication have predicted an important role for electrostatic interactions in enzymatic reactions, yet this hypothesis has proved vexingly difficult to test experimentally. Recent experiments utilizing the vibrational Stark effect make it possible to measure the electric field a substrate molecule experiences when bound inside its enzyme’s active site. These experiments have provided compelling evidence supporting a major electrostatic contribution to enzymatic catalysis. Here, we review these results and develop a simple model for electrostatic catalysis that enables us to incorporate disparate concepts introduced by many investigators to describe how enzymes work into a more unified framework stressing the importance of electric fields at the active site. PMID:28375745

Gradient structure and transport coefficients for strong particles

NASA Astrophysics Data System (ADS)

Gabrielli, Davide; Krapivsky, P. L.

2018-04-01

We introduce and study a simple and natural class of solvable stochastic lattice gases. This is the class of strong particles. The name is due to the fact that when they try to jump to an occupied site they succeed in pushing away a pile of particles. For this class of models we explicitly compute the transport coefficients. We also discuss some generalizations and the relations with other classes of solvable models.

Calcium-manganese oxides as structural and functional models for active site in oxygen evolving complex in photosystem II: lessons from simple models.

PubMed

Najafpour, Mohammad Mahdi

2011-01-01

The oxygen evolving complex in photosystem II which induces the oxidation of water to dioxygen in plants, algae and certain bacteria contains a cluster of one calcium and four manganese ions. It serves as a model to split water by sunlight. Reports on the mechanism and structure of photosystem II provide a more detailed architecture of the oxygen evolving complex and the surrounding amino acids. One challenge in this field is the development of artificial model compounds to study oxygen evolution reaction outside the complicated environment of the enzyme. Calcium-manganese oxides as structural and functional models for the active site of photosystem II are explained and reviewed in this paper. Because of related structures of these calcium-manganese oxides and the catalytic centers of active site of the oxygen evolving complex of photosystem II, the study may help to understand more about mechanism of oxygen evolution by the oxygen evolving complex of photosystem II. Copyright © 2010 Elsevier B.V. All rights reserved.

Nucleotide Interdependency in Transcription Factor Binding Sites in the Drosophila Genome.

PubMed

Dresch, Jacqueline M; Zellers, Rowan G; Bork, Daniel K; Drewell, Robert A

2016-01-01

A long-standing objective in modern biology is to characterize the molecular components that drive the development of an organism. At the heart of eukaryotic development lies gene regulation. On the molecular level, much of the research in this field has focused on the binding of transcription factors (TFs) to regulatory regions in the genome known as cis-regulatory modules (CRMs). However, relatively little is known about the sequence-specific binding preferences of many TFs, especially with respect to the possible interdependencies between the nucleotides that make up binding sites. A particular limitation of many existing algorithms that aim to predict binding site sequences is that they do not allow for dependencies between nonadjacent nucleotides. In this study, we use a recently developed computational algorithm, MARZ, to compare binding site sequences using 32 distinct models in a systematic and unbiased approach to explore nucleotide dependencies within binding sites for 15 distinct TFs known to be critical to Drosophila development. Our results indicate that many of these proteins have varying levels of nucleotide interdependencies within their DNA recognition sequences, and that, in some cases, models that account for these dependencies greatly outperform traditional models that are used to predict binding sites. We also directly compare the ability of different models to identify the known KRUPPEL TF binding sites in CRMs and demonstrate that a more complex model that accounts for nucleotide interdependencies performs better when compared with simple models. This ability to identify TFs with critical nucleotide interdependencies in their binding sites will lead to a deeper understanding of how these molecular characteristics contribute to the architecture of CRMs and the precise regulation of transcription during organismal development.

Nucleotide Interdependency in Transcription Factor Binding Sites in the Drosophila Genome

PubMed Central

Dresch, Jacqueline M.; Zellers, Rowan G.; Bork, Daniel K.; Drewell, Robert A.

2016-01-01

A long-standing objective in modern biology is to characterize the molecular components that drive the development of an organism. At the heart of eukaryotic development lies gene regulation. On the molecular level, much of the research in this field has focused on the binding of transcription factors (TFs) to regulatory regions in the genome known as cis-regulatory modules (CRMs). However, relatively little is known about the sequence-specific binding preferences of many TFs, especially with respect to the possible interdependencies between the nucleotides that make up binding sites. A particular limitation of many existing algorithms that aim to predict binding site sequences is that they do not allow for dependencies between nonadjacent nucleotides. In this study, we use a recently developed computational algorithm, MARZ, to compare binding site sequences using 32 distinct models in a systematic and unbiased approach to explore nucleotide dependencies within binding sites for 15 distinct TFs known to be critical to Drosophila development. Our results indicate that many of these proteins have varying levels of nucleotide interdependencies within their DNA recognition sequences, and that, in some cases, models that account for these dependencies greatly outperform traditional models that are used to predict binding sites. We also directly compare the ability of different models to identify the known KRUPPEL TF binding sites in CRMs and demonstrate that a more complex model that accounts for nucleotide interdependencies performs better when compared with simple models. This ability to identify TFs with critical nucleotide interdependencies in their binding sites will lead to a deeper understanding of how these molecular characteristics contribute to the architecture of CRMs and the precise regulation of transcription during organismal development. PMID:27330274

An integrated model of environmental effects on growth, carbohydrate balance, and mortality of Pinus ponderosa forests in the southern Rocky Mountains.

PubMed

Tague, Christina L; McDowell, Nathan G; Allen, Craig D

2013-01-01

Climate-induced tree mortality is an increasing concern for forest managers around the world. We used a coupled hydrologic and ecosystem carbon cycling model to assess temperature and precipitation impacts on productivity and survival of ponderosa pine (Pinus ponderosa). Model predictions were evaluated using observations of productivity and survival for three ponderosa pine stands located across an 800 m elevation gradient in the southern Rocky Mountains, USA, during a 10-year period that ended in a severe drought and extensive tree mortality at the lowest elevation site. We demonstrate the utility of a relatively simple representation of declines in non-structural carbohydrate (NSC) as an approach for estimating patterns of ponderosa pine vulnerability to drought and the likelihood of survival along an elevation gradient. We assess the sensitivity of simulated net primary production, NSC storage dynamics, and mortality to site climate and soil characteristics as well as uncertainty in the allocation of carbon to the NSC pool. For a fairly wide set of assumptions, the model estimates captured elevational gradients and temporal patterns in growth and biomass. Model results that best predict mortality risk also yield productivity, leaf area, and biomass estimates that are qualitatively consistent with observations across the sites. Using this constrained set of parameters, we found that productivity and likelihood of survival were equally dependent on elevation-driven variation in temperature and precipitation. Our results demonstrate the potential for a coupled hydrology-ecosystem carbon cycling model that includes a simple model of NSC dynamics to predict drought-related mortality. Given that increases in temperature and in the frequency and severity of drought are predicted for a broad range of ponderosa pine and other western North America conifer forest habitats, the model potentially has broad utility for assessing ecosystem vulnerabilities.

The hydrological cycle at European Fluxnet sites: modeling seasonal water and energy budgets at local scale.

NASA Astrophysics Data System (ADS)

Stockli, R.; Vidale, P. L.

2003-04-01

The importance of correctly including land surface processes in climate models has been increasingly recognized in the past years. Even on seasonal to interannual time scales land surface - atmosphere feedbacks can play a substantial role in determining the state of the near-surface climate. The availability of soil moisture for both runoff and evapotranspiration is dependent on biophysical processes occuring in plants and in the soil acting on a wide time-scale from minutes to years. Fluxnet site measurements in various climatic zones are used to drive three generations of LSM's (land surface models) in order to assess the level of complexity needed to represent vegetation processes at the local scale. The three models were the Bucket model (Manabe 1969), BATS 1E (Dickinson 1984) and SiB 2 (Sellers et al. 1996). Evapotranspiration and runoff processes simulated by these models range from simple one-layer soils and no-vegetation parameterizations to complex multilayer soils, including realistic photosynthesis-stomatal conductance models. The latter is driven by satellite remote sensing land surface parameters inheriting the spatiotemporal evolution of vegetation phenology. In addition a simulation with SiB 2 not only including vertical water fluxes but also lateral soil moisture transfers by downslope flow is conducted for a pre-alpine catchment in Switzerland. Preliminary results are presented and show that - depending on the climatic environment and on the season - a realistic representation of evapotranspiration processes including seasonally and interannually-varying state of vegetation is significantly improving the representation of observed latent and sensible heat fluxes on the local scale. Moreover, the interannual evolution of soil moisture availability and runoff is strongly dependent on the chosen model complexity. Biophysical land surface parameters from satellite allow to represent the seasonal changes in vegetation activity, which has great impact on the yearly budget of transpiration fluxes. For some sites, however, the hydrological cycle is simulated reasonably well even with simple land surface representations.

An integrated model of environmental effects on growth, carbohydrate balance, and mortality of Pinus ponderosa forests in the southern Rocky Mountains

USGS Publications Warehouse

Tague, Christina L.; McDowell, Nathan G.; Allen, Craig D.

2013-01-01

Climate-induced tree mortality is an increasing concern for forest managers around the world. We used a coupled hydrologic and ecosystem carbon cycling model to assess temperature and precipitation impacts on productivity and survival of ponderosa pine (Pinus ponderosa). Model predictions were evaluated using observations of productivity and survival for three ponderosa pine stands located across an 800 m elevation gradient in the southern Rocky Mountains, USA, during a 10-year period that ended in a severe drought and extensive tree mortality at the lowest elevation site. We demonstrate the utility of a relatively simple representation of declines in non-structural carbohydrate (NSC) as an approach for estimating patterns of ponderosa pine vulnerability to drought and the likelihood of survival along an elevation gradient. We assess the sensitivity of simulated net primary production, NSC storage dynamics, and mortality to site climate and soil characteristics as well as uncertainty in the allocation of carbon to the NSC pool. For a fairly wide set of assumptions, the model estimates captured elevational gradients and temporal patterns in growth and biomass. Model results that best predict mortality risk also yield productivity, leaf area, and biomass estimates that are qualitatively consistent with observations across the sites. Using this constrained set of parameters, we found that productivity and likelihood of survival were equally dependent on elevation-driven variation in temperature and precipitation. Our results demonstrate the potential for a coupled hydrology-ecosystem carbon cycling model that includes a simple model of NSC dynamics to predict drought-related mortality. Given that increases in temperature and in the frequency and severity of drought are predicted for a broad range of ponderosa pine and other western North America conifer forest habitats, the model potentially has broad utility for assessing ecosystem vulnerabilities.

An Integrated Model of Environmental Effects on Growth, Carbohydrate Balance, and Mortality of Pinus ponderosa Forests in the Southern Rocky Mountains

PubMed Central

Tague, Christina L.; McDowell, Nathan G.; Allen, Craig D.

2013-01-01

Climate-induced tree mortality is an increasing concern for forest managers around the world. We used a coupled hydrologic and ecosystem carbon cycling model to assess temperature and precipitation impacts on productivity and survival of ponderosa pine (Pinus ponderosa). Model predictions were evaluated using observations of productivity and survival for three ponderosa pine stands located across an 800 m elevation gradient in the southern Rocky Mountains, USA, during a 10-year period that ended in a severe drought and extensive tree mortality at the lowest elevation site. We demonstrate the utility of a relatively simple representation of declines in non-structural carbohydrate (NSC) as an approach for estimating patterns of ponderosa pine vulnerability to drought and the likelihood of survival along an elevation gradient. We assess the sensitivity of simulated net primary production, NSC storage dynamics, and mortality to site climate and soil characteristics as well as uncertainty in the allocation of carbon to the NSC pool. For a fairly wide set of assumptions, the model estimates captured elevational gradients and temporal patterns in growth and biomass. Model results that best predict mortality risk also yield productivity, leaf area, and biomass estimates that are qualitatively consistent with observations across the sites. Using this constrained set of parameters, we found that productivity and likelihood of survival were equally dependent on elevation-driven variation in temperature and precipitation. Our results demonstrate the potential for a coupled hydrology-ecosystem carbon cycling model that includes a simple model of NSC dynamics to predict drought-related mortality. Given that increases in temperature and in the frequency and severity of drought are predicted for a broad range of ponderosa pine and other western North America conifer forest habitats, the model potentially has broad utility for assessing ecosystem vulnerabilities. PMID:24282532

The Role of Breccia Lenses in Regolith Generation From the Formation of Small, Simple Craters: Application to the Apollo 15 Landing Site

NASA Astrophysics Data System (ADS)

Hirabayashi, M.; Howl, B. A.; Fassett, C. I.; Soderblom, J. M.; Minton, D. A.; Melosh, H. J.

2018-02-01

Impact cratering is likely a primary agent of regolith generation on airless bodies. Regolith production via impact cratering has long been a key topic of study since the Apollo era. The evolution of regolith due to impact cratering, however, is not well understood. A better formulation is needed to help quantify the formation mechanism and timescale of regolith evolution. Here we propose an analytically derived stochastic model that describes the evolution of regolith generated by small, simple craters. We account for ejecta blanketing as well as regolith infilling of the transient crater cavity. Our results show that the regolith infilling plays a key role in producing regolith. Our model demonstrates that because of the stochastic nature of impact cratering, the regolith thickness varies laterally, which is consistent with earlier work. We apply this analytical model to the regolith evolution at the Apollo 15 site. The regolith thickness is computed considering the observed crater size-frequency distribution of small, simple lunar craters (< 381 m in radius for ejecta blanketing and <100 m in radius for the regolith infilling). Allowing for some amount of regolith coming from the outside of the area, our result is consistent with an empirical result from the Apollo 15 seismic experiment. Finally, we find that the timescale of regolith growth is longer than that of crater equilibrium, implying that even if crater equilibrium is observed on a cratered surface, it is likely that the regolith thickness is still evolving due to additional impact craters.

NGA-West 2 GMPE average site coefficients for use in earthquake-resistant design

USGS Publications Warehouse

Borcherdt, Roger D.

2015-01-01

Site coefficients corresponding to those in tables 11.4–1 and 11.4–2 of Minimum Design Loads for Buildings and Other Structures published by the American Society of Civil Engineers (Standard ASCE/SEI 7-10) are derived from four of the Next Generation Attenuation West2 (NGA-W2) Ground-Motion Prediction Equations (GMPEs). The resulting coefficients are compared with those derived by other researchers and those derived from the NGA-West1 database. The derivation of the NGA-W2 average site coefficients provides a simple procedure to update site coefficients with each update in the Maximum Considered Earthquake Response MCER maps. The simple procedure yields average site coefficients consistent with those derived for site-specific design purposes. The NGA-W2 GMPEs provide simple scale factors to reduce conservatism in current simplified design procedures.

Path spectra derived from inversion of source and site spectra for earthquakes in Southern California

NASA Astrophysics Data System (ADS)

Klimasewski, A.; Sahakian, V. J.; Baltay, A.; Boatwright, J.; Fletcher, J. B.; Baker, L. M.

2017-12-01

A large source of epistemic uncertainty in Ground Motion Prediction Equations (GMPEs) is derived from the path term, currently represented as a simple geometric spreading and intrinsic attenuation term. Including additional physical relationships between the path properties and predicted ground motions would produce more accurate and precise, region-specific GMPEs by reclassifying some of the random, aleatory uncertainty as epistemic. This study focuses on regions of Southern California, using data from the Anza network and Southern California Seismic network to create a catalog of events magnitude 2.5 and larger from 1998 to 2016. The catalog encompasses regions of varying geology and therefore varying path and site attenuation. Within this catalog of events, we investigate several collections of event region-to-station pairs, each of which share similar origin locations and stations so that all events have similar paths. Compared with a simple regional GMPE, these paths consistently have high or low residuals. By working with events that have the same path, we can isolate source and site effects, and focus on the remaining residual as path effects. We decompose the recordings into source and site spectra for each unique event and site in our greater Southern California regional database using the inversion method of Andrews (1986). This model represents each natural log record spectra as the sum of its natural log event and site spectra, while constraining each record to a reference site or Brune source spectrum. We estimate a regional, path-specific anelastic attenuation (Q) and site attenuation (t*) from the inversion site spectra and corner frequency from the inversion event spectra. We then compute the residuals between the observed record data, and the inversion model prediction (event*site spectra). This residual is representative of path effects, likely anelastic attenuation along the path that varies from the regional median attenuation. We examine the residuals for our different sets independently to see how path terms differ between event-to-station collections. The path-specific information gained from this can inform development of terms for regional GMPEs, through understanding of these seismological phenomena.

Reconstruction of measurable three-dimensional point cloud model based on large-scene archaeological excavation sites

NASA Astrophysics Data System (ADS)

Zhang, Chun-Sen; Zhang, Meng-Meng; Zhang, Wei-Xing

2017-01-01

This paper outlines a low-cost, user-friendly photogrammetric technique with nonmetric cameras to obtain excavation site digital sequence images, based on photogrammetry and computer vision. Digital camera calibration, automatic aerial triangulation, image feature extraction, image sequence matching, and dense digital differential rectification are used, combined with a certain number of global control points of the excavation site, to reconstruct the high precision of measured three-dimensional (3-D) models. Using the acrobatic figurines in the Qin Shi Huang mausoleum excavation as an example, our method solves the problems of little base-to-height ratio, high inclination, unstable altitudes, and significant ground elevation changes affecting image matching. Compared to 3-D laser scanning, the 3-D color point cloud obtained by this method can maintain the same visual result and has advantages of low project cost, simple data processing, and high accuracy. Structure-from-motion (SfM) is often used to reconstruct 3-D models of large scenes and has lower accuracy if it is a reconstructed 3-D model of a small scene at close range. Results indicate that this method quickly achieves 3-D reconstruction of large archaeological sites and produces heritage site distribution of orthophotos providing a scientific basis for accurate location of cultural relics, archaeological excavations, investigation, and site protection planning. This proposed method has a comprehensive application value.

Digest: Demographic inferences accounting for selection at linked sites†.

PubMed

Simon, Alexis; Duranton, Maud

2018-05-16

Complex demography and selection at linked sites can generate spurious signatures of divergent selection. Unfortunately, many attempts at demographic inference consider overly simple models and neglect the effect of selection at linked sites. In this issue, Rougemont and Bernatchez (2018) applied an approximate Bayesian computation (ABC) framework that accounts for indirect selection to reveal a complex history of secondary contacts in Atlantic salmon (Salmo salar) that might explain a high rate of latitudinal clines in this species. © 2018 The Author(s). Evolution © 2018 The Society for the Study of Evolution.

Critical design elements of e-health applications for users with severe mental illness: singular focus, simple architecture, prominent contents, explicit navigation, and inclusive hyperlinks.

PubMed

Rotondi, Armando J; Eack, Shaun M; Hanusa, Barbara H; Spring, Michael B; Haas, Gretchen L

2015-03-01

E-health applications are becoming integral components of general medical care delivery models and emerging for mental health care. Few exist for treatment of those with severe mental illness (SMI). In part, this is due to a lack of models to design such technologies for persons with cognitive impairments and lower technology experience. This study evaluated the effectiveness of an e-health design model for persons with SMI termed the Flat Explicit Design Model (FEDM). Persons with schizophrenia (n = 38) performed tasks to evaluate the effectiveness of 5 Web site designs: 4 were prominent public Web sites, and 1 was designed according to the FEDM. Linear mixed-effects regression models were used to examine differences in usability between the Web sites. Omnibus tests of between-site differences were conducted, followed by post hoc pairwise comparisons of means to examine specific Web site differences when omnibus tests reached statistical significance. The Web site designed using the FEDM required less time to find information, had a higher success rate, and was rated easier to use and less frustrating than the other Web sites. The home page design of one of the other Web sites provided the best indication to users about a Web site's contents. The results are consistent with and were used to expand the FEDM. The FEDM provides evidence-based guidelines to design e-health applications for person with SMI, including: minimize an application's layers or hierarchy, use explicit text, employ navigational memory aids, group hyperlinks in 1 area, and minimize the number of disparate subjects an application addresses. © The Author 2013. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Modelling Nitrogen Oxides in Los Angeles Using a Hybrid Dispersion/Land Use Regression Model

NASA Astrophysics Data System (ADS)

Wilton, Darren C.

The goal of this dissertation is to develop models capable of predicting long term annual average NOx concentrations in urban areas. Predictions from simple meteorological dispersion models and seasonal proxies for NO2 oxidation were included as covariates in a land use regression (LUR) model for NOx in Los Angeles, CA. The NO x measurements were obtained from a comprehensive measurement campaign that is part of the Multi-Ethnic Study of Atherosclerosis Air Pollution Study (MESA Air). Simple land use regression models were initially developed using a suite of GIS-derived land use variables developed from various buffer sizes (R²=0.15). Caline3, a simple steady-state Gaussian line source model, was initially incorporated into the land-use regression framework. The addition of this spatio-temporally varying Caline3 covariate improved the simple LUR model predictions. The extent of improvement was much more pronounced for models based solely on the summer measurements (simple LUR: R²=0.45; Caline3/LUR: R²=0.70), than it was for models based on all seasons (R²=0.20). We then used a Lagrangian dispersion model to convert static land use covariates for population density, commercial/industrial area into spatially and temporally varying covariates. The inclusion of these covariates resulted in significant improvement in model prediction (R²=0.57). In addition to the dispersion model covariates described above, a two-week average value of daily peak-hour ozone was included as a surrogate of the oxidation of NO2 during the different sampling periods. This additional covariate further improved overall model performance for all models. The best model by 10-fold cross validation (R²=0.73) contained the Caline3 prediction, a static covariate for length of A3 roads within 50 meters, the Calpuff-adjusted covariates derived from both population density and industrial/commercial land area, and the ozone covariate. This model was tested against annual average NOx concentrations from an independent data set from the EPA's Air Quality System (AQS) and MESA Air fixed site monitors, and performed very well (R²=0.82).

Protocol for monitoring standing crop in grasslands using visual obstruction

Treesearch

Lakhdar Benkobi; Daniel W. Uresk; Greg Schenbeck; Rudy M. King

2000-01-01

Assessment of standing crop on grasslands using a visual obstruction technique provides valuable information to help plan livestock grazing management and indicate the status of wildlife habitat. The objectives of this study were to: (1) develop a simple regression model using easily measured visual obstruction to estimate standing crop on sandy lowland range sites in...

Alleviation of Cu and Pb rhizotoxicities in cowpea (Vigna unguiculata) as related to ion activities at root-cell plasma membrane surface

USDA-ARS?s Scientific Manuscript database

Cations, such as Ca and Mg, are generally thought to alleviate toxicities of trace metals through site-specific competition (as incorporated in the biotic ligand model, BLM). Short term (48 h) experiments were conducted using cowpea (Vigna unguiculata L. Walp.) seedlings in simple nutrient solution...

Ranking site vulnerability to increasing temperatures in southern Appalachian brook trout streams in Virginia: An exposure-sensitivity approach

Treesearch

Bradly A. Trumbo; Keith H. Nislow; Jonathan Stallings; Mark Hudy; Eric P. Smith; Dong-Yun Kim; Bruce Wiggins; Charles A. Dolloff

2014-01-01

Models based on simple air temperature–water temperature relationships have been useful in highlighting potential threats to coldwater-dependent species such as Brook Trout Salvelinus fontinalis by predicting major losses of habitat and substantial reductions in geographic distribution. However, spatial variability in the relationship between changes...

WEPP FuME Analysis for a North Idaho Site

Treesearch

William Elliot; Ina Sue Miller; David Hall

2007-01-01

A computer interface has been developed to assist with analyzing soil erosion rates associated with fuel management activities. This interface uses the Water Erosion Prediction Project (WEPP) model to predict sediment yields from hillslopes and road segments to the stream network. The simple interface has a large database of climates, vegetation files and forest soil...

Prediction of allosteric sites on protein surfaces with an elastic-network-model-based thermodynamic method.

PubMed

Su, Ji Guo; Qi, Li Sheng; Li, Chun Hua; Zhu, Yan Ying; Du, Hui Jing; Hou, Yan Xue; Hao, Rui; Wang, Ji Hua

2014-08-01

Allostery is a rapid and efficient way in many biological processes to regulate protein functions, where binding of an effector at the allosteric site alters the activity and function at a distant active site. Allosteric regulation of protein biological functions provides a promising strategy for novel drug design. However, how to effectively identify the allosteric sites remains one of the major challenges for allosteric drug design. In the present work, a thermodynamic method based on the elastic network model was proposed to predict the allosteric sites on the protein surface. In our method, the thermodynamic coupling between the allosteric and active sites was considered, and then the allosteric sites were identified as those where the binding of an effector molecule induces a large change in the binding free energy of the protein with its ligand. Using the proposed method, two proteins, i.e., the 70 kD heat shock protein (Hsp70) and GluA2 alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptor, were studied and the allosteric sites on the protein surface were successfully identified. The predicted results are consistent with the available experimental data, which indicates that our method is a simple yet effective approach for the identification of allosteric sites on proteins.

Prediction of allosteric sites on protein surfaces with an elastic-network-model-based thermodynamic method

NASA Astrophysics Data System (ADS)

Su, Ji Guo; Qi, Li Sheng; Li, Chun Hua; Zhu, Yan Ying; Du, Hui Jing; Hou, Yan Xue; Hao, Rui; Wang, Ji Hua

2014-08-01

Allostery is a rapid and efficient way in many biological processes to regulate protein functions, where binding of an effector at the allosteric site alters the activity and function at a distant active site. Allosteric regulation of protein biological functions provides a promising strategy for novel drug design. However, how to effectively identify the allosteric sites remains one of the major challenges for allosteric drug design. In the present work, a thermodynamic method based on the elastic network model was proposed to predict the allosteric sites on the protein surface. In our method, the thermodynamic coupling between the allosteric and active sites was considered, and then the allosteric sites were identified as those where the binding of an effector molecule induces a large change in the binding free energy of the protein with its ligand. Using the proposed method, two proteins, i.e., the 70 kD heat shock protein (Hsp70) and GluA2 alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptor, were studied and the allosteric sites on the protein surface were successfully identified. The predicted results are consistent with the available experimental data, which indicates that our method is a simple yet effective approach for the identification of allosteric sites on proteins.

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

Atmospheric turbulence above coastal waters: Determination of stability classes and a simple model for offshore flow including advection and dissipation

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

Erbrink, H.J.; Scholten, D.A.

1995-10-01

Atmospheric turbulence intensities and timescales have been measured for one year and modeled in a shoreline environment. Measurements were carried out at two sites, on both sides of the shoreline, about 10 km from the beach. The frequency distribution of Pasquill stability classes [determined using the COPS (calculation of Pasquill stability) method by analyzing wind fluctuations] was compared with similar observations at the land site. A shift to the more stable classes is observed. Moreover, a large shift to the stable classes was shown at the overwater site for the COPS method in comparison to the Hanna et al. andmore » Hsu method, which is based upon z/L values, originating from sea-air temperature differences. The observed values of the lateral wind fluctuations {sigma}{sub {nu}} and stability classes for the dataset could not be adequately described in terms of local parameters such as Obukhov length L and friction velocity u. Therefore, a simple model, which explicitly considered advection and dissipation in the turbulent kinetic energy equation, was formulated for the calculation of turbulence intensity at sea for offshore wind flows; dissipation is assumed to scale well with {sigma}{sub {nu}}{sup 3}/uT{sub {ell}}. Using this model, observed {sigma}{sub {nu}} values were explained remarkably well. It is concluded that atmospheric turbulence intensity above sea in the vicinity of the shoreline is strongly influenced by horizontal gradients and cannot be described successfully only in terms of local parameterization. The calculated values of the Eulerian timescale correlate quite well with measured values of {sigma}{sub {nu}}/u at both sites. However, values of the timescale at sea were larger; this may be caused by differences in roughness lengths between land and sea. 43 refs., 11 figs., 3 tabs.« less

Travel cost demand model based river recreation benefit estimates with on-site and household surveys: Comparative results and a correction procedure

NASA Astrophysics Data System (ADS)

Loomis, John

2003-04-01

Past recreation studies have noted that on-site or visitor intercept surveys are subject to over-sampling of avid users (i.e., endogenous stratification) and have offered econometric solutions to correct for this. However, past papers do not estimate the empirical magnitude of the bias in benefit estimates with a real data set, nor do they compare the corrected estimates to benefit estimates derived from a population sample. This paper empirically examines the magnitude of the recreation benefits per trip bias by comparing estimates from an on-site river visitor intercept survey to a household survey. The difference in average benefits is quite large, with the on-site visitor survey yielding 24 per day trip, while the household survey yields 9.67 per day trip. A simple econometric correction for endogenous stratification in our count data model lowers the benefit estimate to $9.60 per day trip, a mean value nearly identical and not statistically different from the household survey estimate.

Effect of stretching on the ballistic conductance of Au nanocontacts in presence of CO: A density functional study

NASA Astrophysics Data System (ADS)

Sclauzero, Gabriele; Dal Corso, Andrea; Smogunov, Alexander

2012-04-01

CO adsorption on an Au monatomic chain is studied within density functional theory in nanocontact geometries as a function of the contact stretching. We compare the bridge and atop adsorption sites of CO, finding that the bridge site is energetically favored at all strains studied here. Atop adsorption gives rise to an almost complete suppression of the ballistic conductance of the nanocontact, while adsorption at the bridge site results in a conductance value close to 0.6G0, in agreement with previous experimental data. We show that only the bridge site can qualitatively account for the evolution of the conductance as a function of the contact stretching observed in the experimental conductance traces. The numerical discrepancy between the theoretical and experimental conductance slopes is rationalized through a simple model for the elastic response of the metallic leads. We also verify that our conductance values are not affected by the specific choice of the nanocontact geometry by comparing two different atomistic models for the tips.

Time Average Field and Secular Variations of Pleistocene to Recent Lava Flows From the Ruiz-Tolima Volcanic Complex (Colombia)

NASA Astrophysics Data System (ADS)

Mejia, V.; Sánchez-Duque, A.; Opdyke, N. D.; Huang, K.; Rosales, A.

2009-05-01

Thirty three Pleistocene to recent lava flows from the Ruiz-Tolima Volcanic Complex (Colombian Andes) have been sampled for time average field (TAF) and paleosecular variation studies. A total of 10 cores were drilled per flow (site) and stepwise AF demagnetization has been carried out. After principal component analysis and mean-site direction calculations, 29 sites (25 and 4 with normal and reverse polarity, respectively), with α95 < 5.5° were selected for further calculations. The overall mean direction among the sites (D = 1.8°, I = 6.3°, α95 = 5.6°) closely fits (at the 95% confidence level) the expected paleomagnetic direction (at the area of study) of a geomagnetic field composed primarily by a geocentric axial dipole with 5% axial quadrupole component (I = 5.72°), but also coincides with a simple GAD model. VGP scatter (13°) is similar to that expected from Model G (12.8°).

Unusual Structure of the attB Site of the Site-Specific Recombination System of Lactobacillus delbrueckii Bacteriophage mv4

PubMed Central

Auvray, Frédéric; Coddeville, Michèle; Ordonez, Romy Catoira; Ritzenthaler, Paul

1999-01-01

The temperate phage mv4 integrates its genome into the chromosome of Lactobacillus delbrueckii subsp. bulgaricus by site-specific recombination within the 3′ end of a tRNASer gene. Recombination is catalyzed by the phage-encoded integrase and occurs between the phage attP site and the bacterial attB site. In this study, we show that the mv4 integrase functions in vivo in Escherichia coli and we characterize the bacterial attB site with a site-specific recombination test involving compatible plasmids carrying the recombination sites. The importance of particular nucleotides within the attB sequence was determined by site-directed mutagenesis. The structure of the attB site was found to be simple but rather unusual. A 16-bp DNA fragment was sufficient for function. Unlike most genetic elements that integrate their DNA into tRNA genes, none of the dyad symmetry elements of the tRNASer gene were present within the minimal attB site. No inverted repeats were detected within this site either, in contrast to the lambda site-specific recombination model. PMID:10572145

The role of shock induced trailing-edge separation in limit cycle oscillations

NASA Technical Reports Server (NTRS)

Cunningham, Atlee M., Jr.

1989-01-01

The potential role of shock induced trailing edge separation (SITES) in limit cycle oscillations (LCO) was established. It was shown that the flip-flop characteristics of transition to and from SITES as well as its hysteresis could couple with wing modes with torsional motion and low damping. This connection led to the formulation of a very simple nonlinear math model using the linear equations of motion with a nonlinear step forcing function with hysteresis. A finite difference solution with time was developed and calculations were made for the F-111 TACT were used to determine the step forcing function due to SITES transition. Since no data were available for the hysteresis, a parameter study was conducted allowing the hysteresis effect to vary. Very small hysteresis effects, which were within expected bounds, were required to obtain reasonable response levels that essentially agreed with flight test results. Also in agreement with wind tunnel tests, LCO calculations for the 1/6 scale F-111 model showed that the model should have not experienced LCO.

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

Mellors, R J

The Comprehensive Nuclear Test Ban Treaty (CTBT) includes provisions for an on-site inspection (OSI), which allows the use of specific techniques to detect underground anomalies including cavities and rubble zones. One permitted technique is active seismic surveys such as seismic refraction or reflection. The purpose of this report is to conduct some simple modeling to evaluate the potential use of seismic reflection in detecting cavities and to test the use of open-source software in modeling possible scenarios. It should be noted that OSI inspections are conducted under specific constraints regarding duration and logistics. These constraints are likely to significantly impactmore » active seismic surveying, as a seismic survey typically requires considerable equipment, effort, and expertise. For the purposes of this study, which is a first-order feasibility study, these issues will not be considered. This report provides a brief description of the seismic reflection method along with some commonly used software packages. This is followed by an outline of a simple processing stream based on a synthetic model, along with results from a set of models representing underground cavities. A set of scripts used to generate the models are presented in an appendix. We do not consider detection of underground facilities in this work and the geologic setting used in these tests is an extremely simple one.« less

Probabilistic inference of ecohydrological parameters using observations from point to satellite scales

NASA Astrophysics Data System (ADS)

Bassiouni, Maoya; Higgins, Chad W.; Still, Christopher J.; Good, Stephen P.

2018-06-01

Vegetation controls on soil moisture dynamics are challenging to measure and translate into scale- and site-specific ecohydrological parameters for simple soil water balance models. We hypothesize that empirical probability density functions (pdfs) of relative soil moisture or soil saturation encode sufficient information to determine these ecohydrological parameters. Further, these parameters can be estimated through inverse modeling of the analytical equation for soil saturation pdfs, derived from the commonly used stochastic soil water balance framework. We developed a generalizable Bayesian inference framework to estimate ecohydrological parameters consistent with empirical soil saturation pdfs derived from observations at point, footprint, and satellite scales. We applied the inference method to four sites with different land cover and climate assuming (i) an annual rainfall pattern and (ii) a wet season rainfall pattern with a dry season of negligible rainfall. The Nash-Sutcliffe efficiencies of the analytical model's fit to soil observations ranged from 0.89 to 0.99. The coefficient of variation of posterior parameter distributions ranged from < 1 to 15 %. The parameter identifiability was not significantly improved in the more complex seasonal model; however, small differences in parameter values indicate that the annual model may have absorbed dry season dynamics. Parameter estimates were most constrained for scales and locations at which soil water dynamics are more sensitive to the fitted ecohydrological parameters of interest. In these cases, model inversion converged more slowly but ultimately provided better goodness of fit and lower uncertainty. Results were robust using as few as 100 daily observations randomly sampled from the full records, demonstrating the advantage of analyzing soil saturation pdfs instead of time series to estimate ecohydrological parameters from sparse records. Our work combines modeling and empirical approaches in ecohydrology and provides a simple framework to obtain scale- and site-specific analytical descriptions of soil moisture dynamics consistent with soil moisture observations.

Model for the accumulation of strontium and calcium by recently molted crayfish (Cambarus longulus longerostris Ort.)

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

SCHURR, J. M.; STAMPER, M. N.

1962-10-01

After molting, crayfish absorbed Sr 85 rapidly; rates of uptake decreased exponentially as an upper limit was approached (T 1/2 = 1 to 2 days). A simple mathematical model attributes this limit to the number of sites available for deposition in the exoskeleton. Deposited ions are relatively immobile until 2 to 4 days prior to the next molt, when some are redistributed to the calcareous gastroliths prior to reuse.

SATCOM antenna siting study on P-3C aircraft, volume 2

NASA Technical Reports Server (NTRS)

Bensman, D. A.; Marhefka, R. J.

1991-01-01

This volume contains an antenna location study for the P-3C aircraft. From this location study, a determination can be made of the complete antenna system required to achieve the desired pattern and polarization coverage. The antenna used is the same Batwing airborne UHF satellite communications antenna use in volume 1. The aircraft model used in the majority of the locations studied is the simple cylindrical aircraft model defined in volume 1.

Detecting DNA regulatory motifs by incorporating positional trendsin information content

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

Kechris, Katherina J.; van Zwet, Erik; Bickel, Peter J.

2004-05-04

On the basis of the observation that conserved positions in transcription factor binding sites are often clustered together, we propose a simple extension to the model-based motif discovery methods. We assign position-specific prior distributions to the frequency parameters of the model, penalizing deviations from a specified conservation profile. Examples with both simulated and real data show that this extension helps discover motifs as the data become noisier or when there is a competing false motif.

Uncertainty in Vs30-based site response

USGS Publications Warehouse

Thompson, Eric M.; Wald, David J.

2016-01-01

Methods that account for site response range in complexity from simple linear categorical adjustment factors to sophisticated nonlinear constitutive models. Seismic‐hazard analysis usually relies on ground‐motion prediction equations (GMPEs); within this framework site response is modeled statistically with simplified site parameters that include the time‐averaged shear‐wave velocity to 30 m (VS30) and basin depth parameters. Because VS30 is not known in most locations, it must be interpolated or inferred through secondary information such as geology or topography. In this article, we analyze a subset of stations for which VS30 has been measured to address effects of VS30 proxies on the uncertainty in the ground motions as modeled by GMPEs. The stations we analyze also include multiple recordings, which allow us to compute the repeatable site effects (or empirical amplification factors [EAFs]) from the ground motions. Although all methods exhibit similar bias, the proxy methods only reduce the ground‐motion standard deviations at long periods when compared to GMPEs without a site term, whereas measured VS30 values reduce the standard deviations at all periods. The standard deviation of the ground motions are much lower when the EAFs are used, indicating that future refinements of the site term in GMPEs have the potential to substantially reduce the overall uncertainty in the prediction of ground motions by GMPEs.

Current Fragmentation and Particle Acceleration in Solar Flares

NASA Astrophysics Data System (ADS)

Cargill, P. J.; Vlahos, L.; Baumann, G.; Drake, J. F.; Nordlund, Å.

2012-11-01

Particle acceleration in solar flares remains an outstanding problem in plasma physics and space science. While the observed particle energies and timescales can perhaps be understood in terms of acceleration at a simple current sheet or turbulence site, the vast number of accelerated particles, and the fraction of flare energy in them, defies any simple explanation. The nature of energy storage and dissipation in the global coronal magnetic field is essential for understanding flare acceleration. Scenarios where the coronal field is stressed by complex photospheric motions lead to the formation of multiple current sheets, rather than the single monolithic current sheet proposed by some. The currents sheets in turn can fragment into multiple, smaller dissipation sites. MHD, kinetic and cellular automata models are used to demonstrate this feature. Particle acceleration in this environment thus involves interaction with many distributed accelerators. A series of examples demonstrate how acceleration works in such an environment. As required, acceleration is fast, and relativistic energies are readily attained. It is also shown that accelerated particles do indeed interact with multiple acceleration sites. Test particle models also demonstrate that a large number of particles can be accelerated, with a significant fraction of the flare energy associated with them. However, in the absence of feedback, and with limited numerical resolution, these results need to be viewed with caution. Particle in cell models can incorporate feedback and in one scenario suggest that acceleration can be limited by the energetic particles reaching the condition for firehose marginal stability. Contemporary issues such as footpoint particle acceleration are also discussed. It is also noted that the idea of a "standard flare model" is ill-conceived when the entire distribution of flare energies is considered.

Assessment of possible airborne impact from nuclear risk sites - Part II: probabilistic analysis of atmospheric transport patterns in Euro-Arctic region

NASA Astrophysics Data System (ADS)

Mahura, A. G.; Baklanov, A. A.

2003-10-01

The probabilistic analysis of atmospheric transport patterns from most important nuclear risk sites in the Euro-Arctic region is performed employing the methodology developed within the "Arctic Risk" Project of the NARP Programme (Baklanov and Mahura, 2003). The risk sites are the nuclear power plants in the Northwest Russia, Finland, Sweden, Lithuania, United Kingdom, and Germany as well as the Novaya Zemlya test site of Russia. The geographical regions of interest are the Northern and Central European countries and Northwest Russia. In this study, the employed research tools are the trajectory model to calculate a multiyear dataset of forward trajectories that originated over the risk site locations, and a set of statistical methods (including exploratory, cluster, and probability fields analyses) for analysis of trajectory modelling results. The probabilistic analyses of trajectory modelling results for eleven sites are presented as a set of various indicators of the risk sites possible impact on geographical regions and countries of interest. The nuclear risk site possible impact (on a particular geographical region, territory, country, site, etc.) due to atmospheric transport from the site after hypothetical accidental release of radioactivity can be properly estimated based on a combined interpretation of the indicators (simple characteristics, atmospheric transport pathways, airflow and fast transport probability fields, maximum reaching distance and maximum possible impact zone, typical transport time and precipitation factor fields) for different time periods (annual, seasonal, and monthly) for any selected site (both separately for each site or grouped for several sites) in the Euro-Arctic region. Such estimation could be the useful input information for the decision-making process, risk assessment, and planning of emergency response systems for sites of nuclear, chemical, and biological danger.

Human health risk assessment: models for predicting the effective exposure duration of on-site receptors exposed to contaminated groundwater.

PubMed

Baciocchi, Renato; Berardi, Simona; Verginelli, Iason

2010-09-15

Clean-up of contaminated sites is usually based on a risk-based approach for the definition of the remediation goals, which relies on the well known ASTM-RBCA standard procedure. In this procedure, migration of contaminants is described through simple analytical models and the source contaminants' concentration is supposed to be constant throughout the entire exposure period, i.e. 25-30 years. The latter assumption may often result over-protective of human health, leading to unrealistically low remediation goals. The aim of this work is to propose an alternative model taking in account the source depletion, while keeping the original simplicity and analytical form of the ASTM-RBCA approach. The results obtained by the application of this model are compared with those provided by the traditional ASTM-RBCA approach, by a model based on the source depletion algorithm of the RBCA ToolKit software and by a numerical model, allowing to assess its feasibility for inclusion in risk analysis procedures. The results discussed in this work are limited to on-site exposure to contaminated water by ingestion, but the approach proposed can be extended to other exposure pathways. Copyright 2010 Elsevier B.V. All rights reserved.

Evaluation of Two Statistical Methods Provides Insights into the Complex Patterns of Alternative Polyadenylation Site Switching

PubMed Central

Li, Jie; Li, Rui; You, Leiming; Xu, Anlong; Fu, Yonggui; Huang, Shengfeng

2015-01-01

Switching between different alternative polyadenylation (APA) sites plays an important role in the fine tuning of gene expression. New technologies for the execution of 3’-end enriched RNA-seq allow genome-wide detection of the genes that exhibit significant APA site switching between different samples. Here, we show that the independence test gives better results than the linear trend test in detecting APA site-switching events. Further examination suggests that the discrepancy between these two statistical methods arises from complex APA site-switching events that cannot be represented by a simple change of average 3’-UTR length. In theory, the linear trend test is only effective in detecting these simple changes. We classify the switching events into four switching patterns: two simple patterns (3’-UTR shortening and lengthening) and two complex patterns. By comparing the results of the two statistical methods, we show that complex patterns account for 1/4 of all observed switching events that happen between normal and cancerous human breast cell lines. Because simple and complex switching patterns may convey different biological meanings, they merit separate study. We therefore propose to combine both the independence test and the linear trend test in practice. First, the independence test should be used to detect APA site switching; second, the linear trend test should be invoked to identify simple switching events; and third, those complex switching events that pass independence testing but fail linear trend testing can be identified. PMID:25875641

A simple-harmonic model for depicting the annual cycle of seasonal temperatures of streams

USGS Publications Warehouse

Steele, Timothy Doak

1978-01-01

Due to economic or operational constraints, stream-temperature records cannot always be collected at all sites where information is desired or at frequencies dictated by continuous or near-continuous surveillance requirements. For streams where only periodic measurements are made during the year, and that are not appreciably affected by regulation or by thermal loading , a simple harmonic function may adequately depict the annual seasonal cycle of stream temperature at any given site. Resultant harmonic coefficients obtained from available stream-temperature records may be used in the following ways: (1) To interpolate between discrete measurements by solving the harmonic function at specified times, thereby filling in estimates of stream-temperature values; (2) to characterize areal or regional patterns of natural stream-temperature values; (2) to characterize areal or regional patterns of natural stream-temperature conditions; and (3) to detect and to assess any significant at a site brought about by streamflow regulation or basin development. Moreover, less-than-daily or sampling frequencies at a given site may give estimates of annual variation of stream temperatures that are statistically comparable to estimates obtained from a daily or continuous sampling scheme. The latter procedure may result in potential savings of resources in network operations, with negligible loss in information on annual stream-temperature variations. (Woodard -USGS)

Interactive computation of coverage regions for indoor wireless communication

NASA Astrophysics Data System (ADS)

Abbott, A. Lynn; Bhat, Nitin; Rappaport, Theodore S.

1995-12-01

This paper describes a system which assists in the strategic placement of rf base stations within buildings. Known as the site modeling tool (SMT), this system allows the user to display graphical floor plans and to select base station transceiver parameters, including location and orientation, interactively. The system then computes and highlights estimated coverage regions for each transceiver, enabling the user to assess the total coverage within the building. For single-floor operation, the user can choose between distance-dependent and partition- dependent path-loss models. Similar path-loss models are also available for the case of multiple floors. This paper describes the method used by the system to estimate coverage for both directional and omnidirectional antennas. The site modeling tool is intended to be simple to use by individuals who are not experts at wireless communication system design, and is expected to be very useful in the specification of indoor wireless systems.

Vibrio bacteria in raw oysters: managing risks to human health.

PubMed

Froelich, Brett A; Noble, Rachel T

2016-03-05

The human-pathogenic marine bacteria Vibrio vulnificus and V. parahaemolyticus are strongly correlated with water temperature, with concentrations increasing as waters warm seasonally. Both of these bacteria can be concentrated in filter-feeding shellfish, especially oysters. Because oysters are often consumed raw, this exposes people to large doses of potentially harmful bacteria. Various models are used to predict the abundance of these bacteria in oysters, which guide shellfish harvest policy meant to reduce human health risk. Vibrio abundance and behaviour varies from site to site, suggesting that location-specific studies are needed to establish targeted risk reduction strategies. Moreover, virulence potential, rather than simple abundance, should be also be included in future modeling efforts. © 2016 The Author(s).

Constraints, Approach, and Status of Mars Surveyor 2001 Landing Site Selection

NASA Technical Reports Server (NTRS)

Golombek, M.; Bridges, N.; Briggs, G.; Gilmore, M.; Haldemann, A.; Parker, T.; Saunders, R.; Spencer, D.; Smith, J.; Soderblom, L.

1999-01-01

There are many similarities between the Mars Surveyor '01 (MS '01) landing site selection process and that of Mars Pathfinder. The selection process includes two parallel activities in which engineers define and refine the capabilities of the spacecraft through design, testing and modeling and scientists define a set of landing site constraints based on the spacecraft design and landing scenario. As for Pathfinder, the safety of the site is without question the single most important factor, for the simple reason that failure to land safely yields no science and exposes the mission and program to considerable risk. The selection process must be thorough and defensible and capable of surviving multiple withering reviews similar to the Pathfinder decision. On Pathfinder, this was accomplished by attempting to understand the surface properties of sites using available remote sensing data sets and models based on them. Science objectives are factored into the selection process only after the safety of the site is validated. Finally, as for Pathfinder, the selection process is being done in an open environment with multiple opportunities for community involvement including open workshops, with education and outreach opportunities. Additional information is contained in the original extended abstract.

Probability-based estimates of site-specific copper water quality criteria for the Chesapeake Bay, USA.

PubMed

Arnold, W Ray; Warren-Hicks, William J

2007-01-01

The object of this study was to estimate site- and region-specific dissolved copper criteria for a large embayment, the Chesapeake Bay, USA. The intent is to show the utility of 2 copper saltwater quality site-specific criteria estimation models and associated region-specific criteria selection methods. The criteria estimation models and selection methods are simple, efficient, and cost-effective tools for resource managers. The methods are proposed as potential substitutes for the US Environmental Protection Agency's water effect ratio methods. Dissolved organic carbon data and the copper criteria models were used to produce probability-based estimates of site-specific copper saltwater quality criteria. Site- and date-specific criteria estimations were made for 88 sites (n = 5,296) in the Chesapeake Bay. The average and range of estimated site-specific chronic dissolved copper criteria for the Chesapeake Bay were 7.5 and 5.3 to 16.9 microg Cu/L. The average and range of estimated site-specific acute dissolved copper criteria for the Chesapeake Bay were 11.7 and 8.3 to 26.4 microg Cu/L. The results suggest that applicable national and state copper criteria can increase in much of the Chesapeake Bay and remain protective. Virginia Department of Environmental Quality copper criteria near the mouth of the Chesapeake Bay, however, need to decrease to protect species of equal or greater sensitivity to that of the marine mussel, Mytilus sp.

A Process-based, Climate-Sensitive Model to Derive Methane Emissions from Natural Wetlands: Application to 5 Wetland Sites, Sensitivity to Model Parameters and Climate

NASA Technical Reports Server (NTRS)

Walter, Bernadette P.; Heimann, Martin

1999-01-01

Methane emissions from natural wetlands constitutes the largest methane source at present and depends highly on the climate. In order to investigate the response of methane emissions from natural wetlands to climate variations, a 1-dimensional process-based climate-sensitive model to derive methane emissions from natural wetlands is developed. In the model the processes leading to methane emission are simulated within a 1-dimensional soil column and the three different transport mechanisms diffusion, plant-mediated transport and ebullition are modeled explicitly. The model forcing consists of daily values of soil temperature, water table and Net Primary Productivity, and at permafrost sites the thaw depth is included. The methane model is tested using observational data obtained at 5 wetland sites located in North America, Europe and Central America, representing a large variety of environmental conditions. It can be shown that in most cases seasonal variations in methane emissions can be explained by the combined effect of changes in soil temperature and the position of the water table. Our results also show that a process-based approach is needed, because there is no simple relationship between these controlling factors and methane emissions that applies to a variety of wetland sites. The sensitivity of the model to the choice of key model parameters is tested and further sensitivity tests are performed to demonstrate how methane emissions from wetlands respond to climate variations.

Modeling learning in brain stem and cerebellar sites responsible for VOR plasticity

NASA Technical Reports Server (NTRS)

Quinn, K. J.; Didier, A. J.; Baker, J. F.; Peterson, B. W.

1998-01-01

A simple model of vestibuloocular reflex (VOR) function was used to analyze several hypotheses currently held concerning the characteristics of VOR plasticity. The network included a direct vestibular pathway and an indirect path via the cerebellum. An optimization analysis of this model suggests that regulation of brain stem sites is critical for the proper modification of VOR gain. A more physiologically plausible learning rule was also applied to this network. Analysis of these simulation results suggests that the preferred error correction signal controlling gain modification of the VOR is the direct output of the accessory optic system (AOS) to the vestibular nuclei vs. a signal relayed through the cerebellum via floccular Purkinje cells. The potential anatomical and physiological basis for this conclusion is discussed, in relation to our current understanding of the latency of the adapted VOR response.

msCentipede: Modeling Heterogeneity across Genomic Sites and Replicates Improves Accuracy in the Inference of Transcription Factor Binding

PubMed Central

Gilad, Yoav; Pritchard, Jonathan K.; Stephens, Matthew

2015-01-01

Understanding global gene regulation depends critically on accurate annotation of regulatory elements that are functional in a given cell type. CENTIPEDE, a powerful, probabilistic framework for identifying transcription factor binding sites from tissue-specific DNase I cleavage patterns and genomic sequence content, leverages the hypersensitivity of factor-bound chromatin and the information in the DNase I spatial cleavage profile characteristic of each DNA binding protein to accurately infer functional factor binding sites. However, the model for the spatial profile in this framework fails to account for the substantial variation in the DNase I cleavage profiles across different binding sites. Neither does it account for variation in the profiles at the same binding site across multiple replicate DNase I experiments, which are increasingly available. In this work, we introduce new methods, based on multi-scale models for inhomogeneous Poisson processes, to account for such variation in DNase I cleavage patterns both within and across binding sites. These models account for the spatial structure in the heterogeneity in DNase I cleavage patterns for each factor. Using DNase-seq measurements assayed in a lymphoblastoid cell line, we demonstrate the improved performance of this model for several transcription factors by comparing against the Chip-seq peaks for those factors. Finally, we explore the effects of DNase I sequence bias on inference of factor binding using a simple extension to our framework that allows for a more flexible background model. The proposed model can also be easily applied to paired-end ATAC-seq and DNase-seq data. msCentipede, a Python implementation of our algorithm, is available at http://rajanil.github.io/msCentipede. PMID:26406244

msCentipede: Modeling Heterogeneity across Genomic Sites and Replicates Improves Accuracy in the Inference of Transcription Factor Binding.

PubMed

Raj, Anil; Shim, Heejung; Gilad, Yoav; Pritchard, Jonathan K; Stephens, Matthew

2015-01-01

Understanding global gene regulation depends critically on accurate annotation of regulatory elements that are functional in a given cell type. CENTIPEDE, a powerful, probabilistic framework for identifying transcription factor binding sites from tissue-specific DNase I cleavage patterns and genomic sequence content, leverages the hypersensitivity of factor-bound chromatin and the information in the DNase I spatial cleavage profile characteristic of each DNA binding protein to accurately infer functional factor binding sites. However, the model for the spatial profile in this framework fails to account for the substantial variation in the DNase I cleavage profiles across different binding sites. Neither does it account for variation in the profiles at the same binding site across multiple replicate DNase I experiments, which are increasingly available. In this work, we introduce new methods, based on multi-scale models for inhomogeneous Poisson processes, to account for such variation in DNase I cleavage patterns both within and across binding sites. These models account for the spatial structure in the heterogeneity in DNase I cleavage patterns for each factor. Using DNase-seq measurements assayed in a lymphoblastoid cell line, we demonstrate the improved performance of this model for several transcription factors by comparing against the Chip-seq peaks for those factors. Finally, we explore the effects of DNase I sequence bias on inference of factor binding using a simple extension to our framework that allows for a more flexible background model. The proposed model can also be easily applied to paired-end ATAC-seq and DNase-seq data. msCentipede, a Python implementation of our algorithm, is available at http://rajanil.github.io/msCentipede.

The Binomial Model in Fluctuation Analysis of Quantal Neurotransmitter Release

PubMed Central

Quastel, D. M. J.

1997-01-01

The mathematics of the binomial model for quantal neurotransmitter release is considered in general terms, to explore what information might be extractable from statistical aspects of data. For an array of N statistically independent release sites, each with a release probability p, the compound binomial always pertains, with = N

, p′ ≡ 1 - var(m)/ =

(1 + cvp2) and n′ ≡ /p′ = N/(1 + cvp2), where m is the output/stimulus and cvp2 is var(p)/

2. Unless n′ is invariant with ambient conditions or stimulation paradigms, the simple binomial (cvp = 0) is untenable and n′ is neither N nor the number of “active” sites or sites with a quantum available. At each site p = popA, where po is the output probability if a site is “eligible” or “filled” despite previous quantal discharge, and pA (eligibility probability) depends at least on the replenishment rate, po, and interstimulus time. Assuming stochastic replenishment, a simple algorithm allows calculation of the full statistical composition of outputs for any hypothetical combinations of po's and refill rates, for any stimulation paradigm and spontaneous release. A rise in n′ (reduced cvp) tends to occur whenever po varies widely between sites, with a raised stimulation frequency or factors tending to increase po's. Unlike and var(m) at equilibrium, output changes early in trains of stimuli, and covariances, potentially provide information about whether changes in reflect change in or in . Formulae are derived for variance and third moments of postsynaptic responses, which depend on the quantal mix in the signals. A new, easily computed function, the area product, gives noise-unbiased variance of a series of synaptic signals and its peristimulus time distribution, which is modified by the unit channel composition of quantal responses and if the signals reflect mixed responses from synapses with different quantal time course. PMID:9017200

Ising model simulation in directed lattices and networks

NASA Astrophysics Data System (ADS)

Lima, F. W. S.; Stauffer, D.

2006-01-01

On directed lattices, with half as many neighbours as in the usual undirected lattices, the Ising model does not seem to show a spontaneous magnetisation, at least for lower dimensions. Instead, the decay time for flipping of the magnetisation follows an Arrhenius law on the square and simple cubic lattice. On directed Barabási-Albert networks with two and seven neighbours selected by each added site, Metropolis and Glauber algorithms give similar results, while for Wolff cluster flipping the magnetisation decays exponentially with time.

Building better water models using the shape of the charge distribution of a water molecule

NASA Astrophysics Data System (ADS)

Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2017-11-01

The unique properties of liquid water apparently arise from more than just the tetrahedral bond angle between the nuclei of a water molecule since simple three-site models of water are poor at mimicking these properties in computer simulations. Four- and five-site models add partial charges on dummy sites and are better at modeling these properties, which suggests that the shape of charge distribution is important. Since a multipole expansion of the electrostatic potential describes a charge distribution in an orthogonal basis set that is exact in the limit of infinite order, multipoles may be an even better way to model the charge distribution. In particular, molecular multipoles up to the octupole centered on the oxygen appear to describe the electrostatic potential from electronic structure calculations better than four- and five-site models, and molecular multipole models give better agreement with the temperature and pressure dependence of many liquid state properties of water while retaining the computational efficiency of three-site models. Here, the influence of the shape of the molecular charge distribution on liquid state properties is examined by correlating multipoles of non-polarizable water models with their liquid state properties in computer simulations. This will aid in the development of accurate water models for classical simulations as well as in determining the accuracy needed in quantum mechanical/molecular mechanical studies and ab initio molecular dynamics simulations of water. More fundamentally, this will lead to a greater understanding of how the charge distribution of a water molecule leads to the unique properties of liquid water. In particular, these studies indicate that p-orbital charge out of the molecular plane is important.

An ion displacement membrame model.

PubMed

Hladky, S B; Harris, J D

1967-09-01

The usual assumption in treating the diffusion of ions in an electric field has been that the movement of each ion is independent of the movement of the others. The resulting equation for diffusion by a succession of spontaneous jumps has been well stated by Parlin and Eyring. This paper will consider one simple case in which a different assumption is reasonable. Diffusion of monovalent positive ions is considered as a series of jumps from one fixed negative site to another. The sites are assumed to be full (electrical neutrality). Interaction occurs by the displacement of one ion by another. An ion leaves a site if and only if another ion, not necessarily of the same species, attempts to occupy the same site. Flux ratios and net fluxes are given as functions of the electrical potential, concentration ratios, and number of sites encountered in crossing the membrane. Quantitative comparisons with observations of Hodgkin and Keynes are presented.

Merging a mechanistic enzymatic model of soil heterotrophic respiration into an ecosystem model in two AmeriFlux sites of northeastern USA

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

Sihi, Debjani; Davidson, Eric A.; Chen, Min

Heterotrophic respiration (Rh), microbial processing of soil organic matter to carbon dioxide (CO 2), is a major, yet highly uncertain, carbon (C) flux from terrestrial systems to the atmosphere. Temperature sensitivity of Rh is often represented with a simple Q 10 function in ecosystem models and earth system models (ESMs), sometimes accompanied by an empirical soil moisture modifier. More explicit representation of the effects of soil moisture, substrate supply, and their interactions with temperature has been proposed as a way to disentangle the confounding factors of apparent temperature sensitivity of Rh and improve the performance of ecosystem models and ESMs.more » The objective of this work was to insert into an ecosystem model a more mechanistic, but still parsimonious, model of environmental factors controlling Rh and evaluate the model performance in terms of soil and ecosystem respiration. The Dual Arrhenius and Michaelis-Menten (DAMM) model simulates Rh using Michaelis-Menten, Arrhenius, and diffusion functions. Soil moisture affects Rh and its apparent temperature sensitivity in DAMM by regulating the diffusion of oxygen, soluble C substrates, and extracellular enzymes to the enzymatic reaction site. Here, we merged the DAMM soil flux model with a parsimonious ecosystem flux model, FöBAAR (Forest Biomass, Assimilation, Allocation and Respiration). We used high-frequency soil flux data from automated soil chambers and landscape-scale ecosystem fluxes from eddy covariance towers at two AmeriFlux sites (Harvard Forest, MA and Howland Forest, ME) in the northeastern USA to estimate parameters, validate the merged model, and to quantify the uncertainties in a multiple constraints approach. The optimized DAMM-FöBAAR model better captured the seasonal and inter-annual dynamics of soil respiration (Soil R) compared to the FöBAAR-only model for the Harvard Forest, where higher frequency and duration of drying events significantly regulate substrate supply to heterotrophs. However, DAMM-FöBAAR showed improvement over FöBAAR-only at the boreal transition Howland Forest only in unusually dry years. The frequency of synoptic-scale dry periods is lower at Howland, resulting in only brief water limitation of Rh in some years. At both sites, the declining trend of soil R during drying events was captured by the DAMM-FöBAAR model; however, model performance was also contingent on site conditions, climate, and the temporal scale of interest. While the DAMM functions require a few more parameters than a simple Q10 function, we have demonstrated that they can be included in an ecosystem model and reduce the model-data mismatch. Moreover, the mechanistic structure of the soil moisture effects using DAMM functions should be more generalizable than the wide variety of empirical functions that are commonly used, and these DAMM functions could be readily incorporated into other ecosystem models and ESMs.« less

Predictive models attribute effects on fish assemblages to toxicity and habitat alteration.

PubMed

de Zwart, Dick; Dyer, Scott D; Posthuma, Leo; Hawkins, Charles P

2006-08-01

Biological assessments should both estimate the condition of a biological resource (magnitude of alteration) and provide environmental managers with a diagnosis of the potential causes of impairment. Although methods of quantifying condition are well developed, identifying and proportionately attributing impairment to probable causes remain problematic. Furthermore, analyses of both condition and cause have often been difficult to communicate. We developed an approach that (1) links fish, habitat, and chemistry data collected from hundreds of sites in Ohio (USA) streams, (2) assesses the biological condition at each site, (3) attributes impairment to multiple probable causes, and (4) provides the results of the analyses in simple-to-interpret pie charts. The data set was managed using a geographic information system. Biological condition was assessed using a RIVPACS (river invertebrate prediction and classification system)-like predictive model. The model provided probabilities of capture for 117 fish species based on the geographic location of sites and local habitat descriptors. Impaired biological condition was defined as the proportion of those native species predicted to occur at a site that were observed. The potential toxic effects of exposure to mixtures of contaminants were estimated using species sensitivity distributions and mixture toxicity principles. Generalized linear regression models described species abundance as a function of habitat characteristics. Statistically linking biological condition, habitat characteristics including mixture risks, and species abundance allowed us to evaluate the losses of species with environmental conditions. Results were mapped as simple effect and probable-cause pie charts (EPC pie diagrams), with pie sizes corresponding to magnitude of local impairment, and slice sizes to the relative probable contributions of different stressors. The types of models we used have been successfully applied in ecology and ecotoxicology, but they have not previously been used in concert to quantify impairment and its likely causes. Although data limitations constrained our ability to examine complex interactions between stressors and species, the direct relationships we detected likely represent conservative estimates of stressor contributions to local impairment. Future refinements of the general approach and specific methods described here should yield even more promising results.

Simulated crop yield in response to changes in climate and agricultural practices: results from a simple process based model

NASA Astrophysics Data System (ADS)

Caldararu, S.; Smith, M. J.; Purves, D.; Emmott, S.

2013-12-01

Global agriculture will, in the future, be faced with two main challenges: climate change and an increase in global food demand driven by an increase in population and changes in consumption habits. To be able to predict both the impacts of changes in climate on crop yields and the changes in agricultural practices necessary to respond to such impacts we currently need to improve our understanding of crop responses to climate and the predictive capability of our models. Ideally, what we would have at our disposal is a modelling tool which, given certain climatic conditions and agricultural practices, can predict the growth pattern and final yield of any of the major crops across the globe. We present a simple, process-based crop growth model based on the assumption that plants allocate above- and below-ground biomass to maintain overall carbon optimality and that, to maintain this optimality, the reproductive stage begins at peak nitrogen uptake. The model includes responses to available light, water, temperature and carbon dioxide concentration as well as nitrogen fertilisation and irrigation. The model is data constrained at two sites, the Yaqui Valley, Mexico for wheat and the Southern Great Plains flux site for maize and soybean, using a robust combination of space-based vegetation data (including data from the MODIS and Landsat TM and ETM+ instruments), as well as ground-based biomass and yield measurements. We show a number of climate response scenarios, including increases in temperature and carbon dioxide concentrations as well as responses to irrigation and fertiliser application.

Predicting Scenarios for Successful Autodissemination of Pyriproxyfen by Malaria Vectors from Their Resting Sites to Aquatic Habitats; Description and Simulation Analysis of a Field-Parameterizable Model.

PubMed

Kiware, Samson S; Corliss, George; Merrill, Stephen; Lwetoijera, Dickson W; Devine, Gregor; Majambere, Silas; Killeen, Gerry F

2015-01-01

Large-cage experiments indicate pyriproxifen (PPF) can be transferred from resting sites to aquatic habitats by Anopheles arabiensis--malaria vector mosquitoes to inhibit emergence of their own offspring. PPF coverage is amplified twice: (1) partial coverage of resting sites with PPF contamination results in far higher contamination coverage of adult mosquitoes because they are mobile and use numerous resting sites per gonotrophic cycle, and (2) even greater contamination coverage of aquatic habitats results from accumulation of PPF from multiple oviposition events. Deterministic mathematical models are described that use only field-measurable input parameters and capture the biological processes that mediate PPF autodissemination. Recent successes in large cages can be rationalized, and the plausibility of success under full field conditions can be evaluated a priori. The model also defines measurable properties of PPF delivery prototypes that may be optimized under controlled experimental conditions to maximize chances of success in full field trials. The most obvious flaw in this model is the endogenous relationship that inevitably occurs between the larval habitat coverage and the measured rate of oviposition into those habitats if the target mosquito species is used to mediate PPF transfer. However, this inconsistency also illustrates the potential advantages of using a different, non-target mosquito species for contamination at selected resting sites that shares the same aquatic habitats as the primary target. For autodissemination interventions to eliminate malaria transmission or vector populations during the dry season window of opportunity will require comprehensive contamination of the most challenging subset of aquatic habitats [Formula: see text] that persist or retain PPF activity (Ux) for only one week [Formula: see text], where Ux = 7 days). To achieve >99% contamination coverage of these habitats will necessitate values for the product of the proportional coverage of the ovipositing mosquito population with PPF contamination (CM) by the ovitrap-detectable rates of oviposition by wild mosquitoes into this subset of habitats [Formula: see text], divided by the titre of contaminated mosquitoes required to render them unproductive [Formula: see text], that approximately approach unity [Formula: see text]. The simple multiplicative relationship between CM and [Formula: see text], and the simple exponential decay effect they have upon uncontaminated aquatic habitats, allows application of this model by theoreticians and field biologists alike.

Slope stability and bearing capacity of landfills and simple on-site test methods.

PubMed

Yamawaki, Atsushi; Doi, Yoichi; Omine, Kiyoshi

2017-07-01

This study discusses strength characteristics (slope stability, bearing capacity, etc.) of waste landfills through on-site tests that were carried out at 29 locations in 19 sites in Japan and three other countries, and proposes simple methods to test and assess the mechanical strength of landfills on site. Also, the possibility of using a landfill site was investigated by a full-scale eccentric loading test. As a result of this, landfills containing more than about 10 cm long plastics or other fibrous materials were found to be resilient and hard to yield. An on-site full scale test proved that no differential settlement occurs. The repose angle test proposed as a simple on-site test method has been confirmed to be a good indicator for slope stability assessment. The repose angle test suggested that landfills which have high, near-saturation water content have considerably poorer slope stability. The results of our repose angle test and the impact acceleration test were related to the internal friction angle and the cohesion, respectively. In addition to this, it was found that the air pore volume ratio measured by an on-site air pore volume ratio test is likely to be related to various strength parameters.

A stitch in time saves nine: suture technique does not affect intestinal growth in a young, growing animal model.

PubMed

Gurien, Lori A; Wyrick, Deidre L; Smith, Samuel D; Maxson, R Todd

2016-05-01

Although this issue remains unexamined, pediatric surgeons commonly use simple interrupted suture for bowel anastomosis, as it is thought to improve intestinal growth postoperatively compared to continuous running suture. However, effects on intestinal growth are unclear. We compared intestinal growth using different anastomotic techniques during the postoperative period in young rats. Young, growing rats underwent small bowel transection and anastomosis using either simple interrupted or continuous running technique. At 7-weeks postoperatively after a four-fold growth, the anastomotic site was resected. Diameters and burst pressures were measured. Thirteen rats underwent anastomosis with simple interrupted technique and sixteen with continuous running method. No differences were found in body weight at first (102.46 vs 109.75g) or second operations (413.85 vs 430.63g). Neither the diameters (0.69 vs 0.79cm) nor burst pressures were statistically different, although the calculated circumference was smaller in the simple interrupted group (2.18 vs 2.59cm; p=0.03). No ruptures occurred at the anastomotic line. This pilot study is the first to compare continuous running to simple interrupted intestinal anastomosis in a pediatric model and showed no difference in growth. Adopting continuous running techniques for bowel anastomosis in young children may lead to faster operative time without affecting intestinal growth. Copyright © 2016 Elsevier Inc. All rights reserved.

Performance Considerations for the SIMPL Single Photon, Polarimetric, Two-Color Laser Altimeter as Applied to Measurements of Forest Canopy Structure and Composition

NASA Technical Reports Server (NTRS)

Dabney, Philip W.; Harding, David J.; Valett, Susan R.; Vasilyev, Aleksey A.; Yu, Anthony W.

2012-01-01

The Slope Imaging Multi-polarization Photon-counting Lidar (SIMPL) is a multi-beam, micropulse airborne laser altimeter that acquires active and passive polarimetric optical remote sensing measurements at visible and near-infrared wavelengths. SIMPL was developed to demonstrate advanced measurement approaches of potential benefit for improved, more efficient spaceflight laser altimeter missions. SIMPL data have been acquired for wide diversity of forest types in the summers of 2010 and 2011 in order to assess the potential of its novel capabilities for characterization of vegetation structure and composition. On each of its four beams SIMPL provides highly-resolved measurements of forest canopy structure by detecting single-photons with 15 cm ranging precision using a narrow-beam system operating at a laser repetition rate of 11 kHz. Associated with that ranging data SIMPL provides eight amplitude parameters per beam unlike the single amplitude provided by typical laser altimeters. Those eight parameters are received energy that is parallel and perpendicular to that of the plane-polarized transmit pulse at 532 nm (green) and 1064 nm (near IR), for both the active laser backscatter retro-reflectance and the passive solar bi-directional reflectance. This poster presentation will cover the instrument architecture and highlight the performance of the SIMPL instrument with examples taken from measurements for several sites with distinct canopy structures and compositions. Specific performance areas such as probability of detection, after pulsing, and dead time, will be highlighted and addressed, along with examples of their impact on the measurements and how they limit the ability to accurately model and recover the canopy properties. To assess the sensitivity of SIMPL's measurements to canopy properties an instrument model has been implemented in the FLIGHT radiative transfer code, based on Monte Carlo simulation of photon transport. SIMPL data collected in 2010 over the Smithsonian Environmental Research Center, MD are currently being modelled and compared to other remote sensing and in situ data sets. Results on the adaptation of FLIGHT to model micropulse, single'photon ranging measurements are presented elsewhere at this conference. NASA's ICESat-2 spaceflight mission, scheduled for launch in 2016, will utilize a multi-beam, micropulse, single-photon ranging measurement approach (although non-polarimetric and only at 532 nm). Insights gained from the analysis and modelling of SIMPL data will help guide preparations for that mission, including development of calibration/validation plans and algorithms for the estimation of forest biophysical parameters.

Dynamic occupancy models for explicit colonization processes

USGS Publications Warehouse

Broms, Kristin M.; Hooten, Mevin B.; Johnson, Devin S.; Altwegg, Res; Conquest, Loveday

2016-01-01

The dynamic, multi-season occupancy model framework has become a popular tool for modeling open populations with occupancies that change over time through local colonizations and extinctions. However, few versions of the model relate these probabilities to the occupancies of neighboring sites or patches. We present a modeling framework that incorporates this information and is capable of describing a wide variety of spatiotemporal colonization and extinction processes. A key feature of the model is that it is based on a simple set of small-scale rules describing how the process evolves. The result is a dynamic process that can account for complicated large-scale features. In our model, a site is more likely to be colonized if more of its neighbors were previously occupied and if it provides more appealing environmental characteristics than its neighboring sites. Additionally, a site without occupied neighbors may also become colonized through the inclusion of a long-distance dispersal process. Although similar model specifications have been developed for epidemiological applications, ours formally accounts for detectability using the well-known occupancy modeling framework. After demonstrating the viability and potential of this new form of dynamic occupancy model in a simulation study, we use it to obtain inference for the ongoing Common Myna (Acridotheres tristis) invasion in South Africa. Our results suggest that the Common Myna continues to enlarge its distribution and its spread via short distance movement, rather than long-distance dispersal. Overall, this new modeling framework provides a powerful tool for managers examining the drivers of colonization including short- vs. long-distance dispersal, habitat quality, and distance from source populations.

Biophysical and structural considerations for protein sequence evolution

PubMed Central

2011-01-01

Background Protein sequence evolution is constrained by the biophysics of folding and function, causing interdependence between interacting sites in the sequence. However, current site-independent models of sequence evolutions do not take this into account. Recent attempts to integrate the influence of structure and biophysics into phylogenetic models via statistical/informational approaches have not resulted in expected improvements in model performance. This suggests that further innovations are needed for progress in this field. Results Here we develop a coarse-grained physics-based model of protein folding and binding function, and compare it to a popular informational model. We find that both models violate the assumption of the native sequence being close to a thermodynamic optimum, causing directional selection away from the native state. Sampling and simulation show that the physics-based model is more specific for fold-defining interactions that vary less among residue type. The informational model diffuses further in sequence space with fewer barriers and tends to provide less support for an invariant sites model, although amino acid substitutions are generally conservative. Both approaches produce sequences with natural features like dN/dS < 1 and gamma-distributed rates across sites. Conclusions Simple coarse-grained models of protein folding can describe some natural features of evolving proteins but are currently not accurate enough to use in evolutionary inference. This is partly due to improper packing of the hydrophobic core. We suggest possible improvements on the representation of structure, folding energy, and binding function, as regards both native and non-native conformations, and describe a large number of possible applications for such a model. PMID:22171550

Three-dimensional representations of salt-dome margins at four active strategic petroleum reserve sites.

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

Rautman, Christopher Arthur; Stein, Joshua S.

2003-01-01

Existing paper-based site characterization models of salt domes at the four active U.S. Strategic Petroleum Reserve sites have been converted to digital format and visualized using modern computer software. The four sites are the Bayou Choctaw dome in Iberville Parish, Louisiana; the Big Hill dome in Jefferson County, Texas; the Bryan Mound dome in Brazoria County, Texas; and the West Hackberry dome in Cameron Parish, Louisiana. A new modeling algorithm has been developed to overcome limitations of many standard geological modeling software packages in order to deal with structurally overhanging salt margins that are typical of many salt domes. Thismore » algorithm, and the implementing computer program, make use of the existing interpretive modeling conducted manually using professional geological judgement and presented in two dimensions in the original site characterization reports as structure contour maps on the top of salt. The algorithm makes use of concepts of finite-element meshes of general engineering usage. Although the specific implementation of the algorithm described in this report and the resulting output files are tailored to the modeling and visualization software used to construct the figures contained herein, the algorithm itself is generic and other implementations and output formats are possible. The graphical visualizations of the salt domes at the four Strategic Petroleum Reserve sites are believed to be major improvements over the previously available two-dimensional representations of the domes via conventional geologic drawings (cross sections and contour maps). Additionally, the numerical mesh files produced by this modeling activity are available for import into and display by other software routines. The mesh data are not explicitly tabulated in this report; however an electronic version in simple ASCII format is included on a PC-based compact disk.« less

Proton and metal ion binding to natural organic polyelectrolytes-II. Preliminary investigation with a peat and a humic acid

USGS Publications Warehouse

Marinsky, J.A.; Reddy, M.M.

1984-01-01

We summarize here experimental studies of proton and metal ion binding to a peat and a humic acid. Data analysis is based on a unified physico-chemical model for reaction of simple ions with polyelectrolytes employing a modified Henderson-Hasselbalch equation. Peat exhibited an apparent intrinsic acid dissociation constant of 10-4.05, and an apparent intrinsic metal ion binding constant of: 400 for cadmium ion; 600 for zinc ion; 4000 for copper ion; 20000 for lead ion. A humic acid was found to have an apparent intrinsic proton binding constant of 10-2.6. Copper ion binding to this humic acid sample occurred at two types of sites. The first site exhibited reaction characteristics which were independent of solution pH and required the interaction of two ligands on the humic acid matrix to simultaneously complex with each copper ion. The second complex species is assumed to be a simple monodentate copper ion-carboxylate species with a stability constant of 18. ?? 1984.

Site-specific critical acid load estimates for forest soils in the Osborn Creek watershed, Michigan

Treesearch

Trevor Hobbs; Jason Lynch; Randy Kolka

2017-01-01

Anthropogenic acid deposition has the potential to accelerate leaching of soil cations, and in turn, deplete nutrients essential to forest vegetation. The critical load concept, employing a simple mass balance (SMB) approach, is often used to model this process. In an evaluation under the U.S. Forest Service Watershed Condition Framework program, soils in all 6th level...

Hydraulic redistribution of soil water in two old-growth coniferous forests: quantifying patterns and controls.

Treesearch

J.M. Warren; F.C. Meinzer; J.R. Brooks; J.-C. Domec; R. Coulombe

2006-01-01

We incorporated soil/plant biophysical properties into a simple model to predict seasonal trajectories of hydraulic redistribution (HR). We measured soil water content, water potential root conductivity, and climate across multiple years in two old-growth coniferous forests. The HR variability within sites (0 to 0.5 mm/d) was linked to spatial patterns of roots, soil...

Quantifying Parameter Sensitivity, Interaction and Transferability in Hydrologically Enhanced Versions of Noah-LSM over Transition Zones

NASA Technical Reports Server (NTRS)

Rosero, Enrique; Yang, Zong-Liang; Wagener, Thorsten; Gulden, Lindsey E.; Yatheendradas, Soni; Niu, Guo-Yue

2009-01-01

We use sensitivity analysis to identify the parameters that are most responsible for shaping land surface model (LSM) simulations and to understand the complex interactions in three versions of the Noah LSM: the standard version (STD), a version enhanced with a simple groundwater module (GW), and version augmented by a dynamic phenology module (DV). We use warm season, high-frequency, near-surface states and turbulent fluxes collected over nine sites in the US Southern Great Plains. We quantify changes in the pattern of sensitive parameters, the amount and nature of the interaction between parameters, and the covariance structure of the distribution of behavioral parameter sets. Using Sobol s total and first-order sensitivity indexes, we show that very few parameters directly control the variance of the model output. Significant parameter interaction occurs so that not only the optimal parameter values differ between models, but the relationships between parameters change. GW decreases parameter interaction and appears to improve model realism, especially at wetter sites. DV increases parameter interaction and decreases identifiability, implying it is overparameterized and/or underconstrained. A case study at a wet site shows GW has two functional modes: one that mimics STD and a second in which GW improves model function by decoupling direct evaporation and baseflow. Unsupervised classification of the posterior distributions of behavioral parameter sets cannot group similar sites based solely on soil or vegetation type, helping to explain why transferability between sites and models is not straightforward. This evidence suggests a priori assignment of parameters should also consider climatic differences.

A univariate model of river water nitrate time series

NASA Astrophysics Data System (ADS)

Worrall, F.; Burt, T. P.

1999-01-01

Four time series were taken from three catchments in the North and South of England. The sites chosen included two in predominantly agricultural catchments, one at the tidal limit and one downstream of a sewage treatment works. A time series model was constructed for each of these series as a means of decomposing the elements controlling river water nitrate concentrations and to assess whether this approach could provide a simple management tool for protecting water abstractions. Autoregressive (AR) modelling of the detrended and deseasoned time series showed a "memory effect". This memory effect expressed itself as an increase in the winter-summer difference in nitrate levels that was dependent upon the nitrate concentration 12 or 6 months previously. Autoregressive moving average (ARMA) modelling showed that one of the series contained seasonal, non-stationary elements that appeared as an increasing trend in the winter-summer difference. The ARMA model was used to predict nitrate levels and predictions were tested against data held back from the model construction process - predictions gave average percentage errors of less than 10%. Empirical modelling can therefore provide a simple, efficient method for constructing management models for downstream water abstraction.

A simple hypothesis of how leaf and canopy-level transpiration and assimilation respond to elevated CO2 reveals distinct response patterns between disturbed and undisturbed vegetation

NASA Astrophysics Data System (ADS)

Donohue, Randall J.; Roderick, Michael L.; McVicar, Tim R.; Yang, Yuting

2017-01-01

Elevated CO2 increases leaf-level water-use efficiency (ω) almost universally. How canopy-level transpiration and assimilation fluxes respond to increased ω is currently unclear. We present a simple, resource-availability-based hypothesis of how equilibrium (or mature) leaf and canopy transpiration and assimilation rates, along with leaf area index (L), respond to elevated CO2. We quantify this hypothesis in the form of a model and test it against observations from eight Free Air CO2 Enrichment sites that span a wide range of resource availabilities. Sites were grouped according to vegetation disturbance status. We find the model adequately accounts for the responses of undisturbed vegetation (R2 = 0.73, 11% error) but cannot account for the responses of disturbed vegetation (R2 = 0.47, 17% error). At undisturbed sites, the responses of L and of leaf and canopy transpiration vary predictably (7% error) with resource availability, whereas the leaf assimilation response is less predictable. In contrast, the L and transpiration flux responses at the disturbed (mostly forested) sites are highly variable and are not strongly related to resource availability. Initial analyses suggest that they are more strongly related to regrowth age than to resource availability. We conclude that (i) our CO2 response hypothesis is valid for capturing the responses of undisturbed vegetation only, (ii) that the responses of disturbed vegetation are distinctly different from undisturbed vegetation, and (iii) that these differences need to be accounted for when predicting the effects of elevated CO2 on land surface processes generally, and on leaf area and water fluxes in particular.

Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction.

PubMed

Palmer, David S; Frolov, Andrey I; Ratkova, Ekaterina L; Fedorov, Maxim V

2010-12-15

We report a simple universal method to systematically improve the accuracy of hydration free energies calculated using an integral equation theory of molecular liquids, the 3D reference interaction site model. A strong linear correlation is observed between the difference of the experimental and (uncorrected) calculated hydration free energies and the calculated partial molar volume for a data set of 185 neutral organic molecules from different chemical classes. By using the partial molar volume as a linear empirical correction to the calculated hydration free energy, we obtain predictions of hydration free energies in excellent agreement with experiment (R = 0.94, σ = 0.99 kcal mol (- 1) for a test set of 120 organic molecules).

Atomistic Modeling of Quaternary Alloys: Ti and Cu in NiAl

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Mosca, Hugo O.; Wilson, Allen W.; Noebe, Ronald D.; Garces, Jorge E.

2002-01-01

The change in site preference in NiAl(Ti,Cu) alloys with concentration is examined experimentally via ALCHEMI and theoretically using the Bozzolo-Ferrante-Smith (BFS) method for alloys. Results for the site occupancy of Ti and Cu additions as a function of concentration are determined experimentally for five alloys. These results are reproduced with large-scale BFS-based Monte Carlo atomistic simulations. The original set of five alloys is extended to 25 concentrations, which are modeled by means of the BFS method for alloys, showing in more detail the compositional range over which major changes in behavior occur. A simple but powerful approach based on the definition of atomic local environments also is introduced to describe energetically the interactions between the various elements and therefore to explain the observed behavior.

Heat-flow properties of systems with alternate masses or alternate on-site potentials.

PubMed

Pereira, Emmanuel; Santana, Leonardo M; Ávila, Ricardo

2011-07-01

We address a central issue of phononics: the search of properties or mechanisms to manage the heat flow in reliable materials. We analytically study standard and simple systems modeling the heat flow in solids, namely, the harmonic, self-consistent harmonic and also anharmonic chains of oscillators, and we show an interesting insulating effect: While in the homogeneous models the heat flow decays as the inverse of the particle mass, in the chain with alternate masses it decays as the inverse of the square of the mass difference, that is, it decays essentially as the mass ratio (between the smaller and the larger one) for a large mass difference. A similar effect holds if we alternate on-site potentials instead of particle masses. The existence of such behavior in these different systems, including anharmonic models, indicates that it is a ubiquitous phenomenon with applications in the heat flow control.

An Objective Measure of Noseband Tightness and Its Measurement Using a Novel Digital Tightness Gauge.

PubMed

Doherty, Orla; Conway, Thomas; Conway, Richard; Murray, Gerard; Casey, Vincent

2017-01-01

Noseband tightness is difficult to assess in horses participating in equestrian sports such as dressage, show jumping and three-day-eventing. There is growing concern that nosebands are commonly tightened to such an extent as to restrict normal equine behaviour and possibly cause injury. In the absence of a clear agreed definition of noseband tightness, a simple model of the equine nose-noseband interface environment was developed in order to guide further studies in this area. The normal force component of the noseband tensile force was identified as the key contributor to sub-noseband tissue compression. The model was used to inform the design of a digital tightness gauge which could reliably measure the normal force component of the noseband tensile force. A digital tightness gauge was developed to measure this parameter under nosebands fitted to bridled horses. Results are presented for field tests using two prototype designs. Prototype version three was used in field trial 1 (n = 15, frontal nasal plane sub-noseband site). Results of this trial were used to develop an ergonomically designed prototype, version 4, which was tested in a second field trial (n = 12, frontal nasal plane and lateral sub-noseband site). Nosebands were set to three tightness settings in each trial as judged by a single rater using an International Society for Equitation Science (ISES) taper gauge. Normal forces in the range 7-95 N were recorded at the frontal nasal plane while a lower range 1-28 N was found at the lateral site for the taper gauge range used in the trials. The digital tightness gauge was found to be simple to use, reliable, and safe and its use did not agitate the animals in any discernable way. A simple six point tightness scale is suggested to aid regulation implementation and the control of noseband tightness using normal force measurement as the objective tightness discriminant.

Channeling by Proximity: The Catalytic Advantages of Active Site Colocalization Using Brownian Dynamics.

PubMed

Bauler, Patricia; Huber, Gary; Leyh, Thomas; McCammon, J Andrew

2010-05-06

Nature often colocalizes successive steps in a metabolic pathway. Such organization is predicted to increase the effective concentration of pathway intermediates near their recipient active sites and to enhance catalytic efficiency. Here, the pathway of a two-step reaction is modeled using a simple spherical approximation for the enzymes and substrate particles. Brownian dynamics are used to simulate the trajectory of a substrate particle as it diffuses between the active site zones of two different enzyme spheres. The results approximate distances for the most effective reaction pathways, indicating that the most effective reaction pathway is one in which the active sites are closely aligned. However, when the active sites are too close, the ability of the substrate to react with the first enzyme was hindered, suggesting that even the most efficient orientations can be improved for a system that is allowed to rotate or change orientation to optimize the likelihood of reaction at both sites.

Surveying, Modeling and 3d Representation of a wreck for Diving Purposes: Cargo Ship "vera"

NASA Astrophysics Data System (ADS)

Ktistis, A.; Tokmakidis, P.; Papadimitriou, K.

2017-02-01

This paper presents the results from an underwater recording of the stern part of a contemporary cargo-ship wreck. The aim of this survey was to create 3D representations of this wreck mainly for recreational diving purposes. The key points of this paper are: a) the implementation of the underwater recording at a diving site; b) the reconstruction of a 3d model from data that have been captured by recreational divers; and c) the development of a set of products to be used by the general public for the ex situ presentation or for the in situ navigation. The idea behind this project is to define a simple and low cost procedure for the surveying, modeling and 3D representation of a diving site. The perspective of our team is to repeat the proposed methodology for the documentation and the promotion of other diving sites with cultural features, as well as to train recreational divers in underwater surveying procedures towards public awareness and community engagement in the maritime heritage.

Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model.

PubMed

Chilkuri, Vijay Gopal; DeBeer, Serena; Neese, Frank

2017-09-05

Iron-sulfur (FeS) proteins are universally found in nature with actives sites ranging in complexity from simple monomers to multinuclear sites from two up to eight iron atoms. These sites include mononuclear (rubredoxins), dinuclear (ferredoxins and Rieske proteins), trinuclear (e.g., hydrogenases), and tetranuclear (various ferredoxins and high-potential iron-sulfur proteins). The electronic structure of the higher-nuclearity clusters is inherently extremely complex. Hence, it is reasonable to take a bottom-up approach in which clusters of increasing nuclearity are analyzed in terms of the properties of their lower nuclearity constituents. In the present study, the first step is taken by an in-depth analysis of mononuclear FeS systems. Two different FeS molecules with phenylthiolate and methylthiolate as ligands are studied in their oxidized and reduced forms using modern wave function-based ab initio methods. The ab initio electronic spectra and wave function are presented and analyzed in detail. The very intricate electronic structure-geometry relationship in these systems is analyzed using ab initio ligand field theory (AILFT) in conjunction with the angular overlap model (AOM) parametrization scheme. The simple AOM model is used to explain the effect of geometric variations on the electronic structure. Through a comparison of the ab initio computed UV-vis absorption spectra and the available experimental spectra, the low-energy part of the many-particle spectrum is carefully analyzed. We show ab initio calculated magnetic circular dichroism spectra and present a comparison with the experimental spectrum. Finally, AILFT parameters and the ab initio spectra are compared with those obtained experimentally to understand the effect of the increased covalency of the thiolate ligands on the electronic structure of FeS monomers.

Biophysical Fitness Landscapes for Transcription Factor Binding Sites

PubMed Central

Haldane, Allan; Manhart, Michael; Morozov, Alexandre V.

2014-01-01

Phenotypic states and evolutionary trajectories available to cell populations are ultimately dictated by complex interactions among DNA, RNA, proteins, and other molecular species. Here we study how evolution of gene regulation in a single-cell eukaryote S. cerevisiae is affected by interactions between transcription factors (TFs) and their cognate DNA sites. Our study is informed by a comprehensive collection of genomic binding sites and high-throughput in vitro measurements of TF-DNA binding interactions. Using an evolutionary model for monomorphic populations evolving on a fitness landscape, we infer fitness as a function of TF-DNA binding to show that the shape of the inferred fitness functions is in broad agreement with a simple functional form inspired by a thermodynamic model of two-state TF-DNA binding. However, the effective parameters of the model are not always consistent with physical values, indicating selection pressures beyond the biophysical constraints imposed by TF-DNA interactions. We find little statistical support for the fitness landscape in which each position in the binding site evolves independently, indicating that epistasis is common in the evolution of gene regulation. Finally, by correlating TF-DNA binding energies with biological properties of the sites or the genes they regulate, we are able to rule out several scenarios of site-specific selection, under which binding sites of the same TF would experience different selection pressures depending on their position in the genome. These findings support the existence of universal fitness landscapes which shape evolution of all sites for a given TF, and whose properties are determined in part by the physics of protein-DNA interactions. PMID:25010228

Prediction of soil attributes through interpolators in a deglaciated environment with complex landforms

NASA Astrophysics Data System (ADS)

Schünemann, Adriano Luis; Inácio Fernandes Filho, Elpídio; Rocha Francelino, Marcio; Rodrigues Santos, Gérson; Thomazini, Andre; Batista Pereira, Antônio; Gonçalves Reynaud Schaefer, Carlos Ernesto

2017-04-01

The knowledge of environmental variables values, in non-sampled sites from a minimum data set can be accessed through interpolation technique. Kriging and the classifier Random Forest algorithm are examples of predictors with this aim. The objective of this work was to compare methods of soil attributes spatialization in a recent deglaciated environment with complex landforms. Prediction of the selected soil attributes (potassium, calcium and magnesium) from ice-free areas were tested by using morphometric covariables, and geostatistical models without these covariables. For this, 106 soil samples were collected at 0-10 cm depth in Keller Peninsula, King George Island, Maritime Antarctica. Soil chemical analysis was performed by the gravimetric method, determining values of potassium, calcium and magnesium for each sampled point. Digital terrain models (DTMs) were obtained by using Terrestrial Laser Scanner. DTMs were generated from a cloud of points with spatial resolutions of 1, 5, 10, 20 and 30 m. Hence, 40 morphometric covariates were generated. Simple Kriging was performed using the R package software. The same data set coupled with morphometric covariates, was used to predict values of the studied attributes in non-sampled sites through Random Forest interpolator. Little differences were observed on the DTMs generated by Simple kriging and Random Forest interpolators. Also, DTMs with better spatial resolution did not improved the quality of soil attributes prediction. Results revealed that Simple Kriging can be used as interpolator when morphometric covariates are not available, with little impact regarding quality. It is necessary to go further in soil chemical attributes prediction techniques, especially in periglacial areas with complex landforms.

Selecting optimal monitoring site locations for peak ambient particulate material concentrations using the MM5-CAMx4 numerical modelling system.

PubMed

Sturman, Andrew; Titov, Mikhail; Zawar-Reza, Peyman

2011-01-15

Installation of temporary or long term monitoring sites is expensive, so it is important to rationally identify potential locations that will achieve the requirements of regional air quality management strategies. A simple, but effective, numerical approach to selecting ambient particulate matter (PM) monitoring site locations has therefore been developed using the MM5-CAMx4 air pollution dispersion modelling system. A new method, 'site efficiency,' was developed to assess the ability of any monitoring site to provide peak ambient air pollution concentrations that are representative of the urban area. 'Site efficiency' varies from 0 to 100%, with the latter representing the most representative site location for monitoring peak PM concentrations. Four heavy pollution episodes in Christchurch (New Zealand) during winter 2005, representing 4 different aerosol dispersion patterns, were used to develop and test this site assessment technique. Evaluation of the efficiency of monitoring sites was undertaken for night and morning aerosol peaks for 4 different particulate material (PM) spatial patterns. The results demonstrate that the existing long term monitoring site at Coles Place is quite well located, with a site efficiency value of 57.8%. A temporary ambient PM monitoring site (operating during winter 2006) showed a lower ability to capture night and morning peak aerosol concentrations. Evaluation of multiple site locations used during an extensive field campaign in Christchurch (New Zealand) in 2000 indicated that the maximum efficiency achieved by any site in the city would be 60-65%, while the efficiency of a virtual background site is calculated to be about 7%. This method of assessing the appropriateness of any potential monitoring site can be used to optimize monitoring site locations for any air pollution measurement programme. Copyright © 2010 Elsevier B.V. All rights reserved.

42 CFR 52b.10 - What are the terms and conditions of awards?

Code of Federal Regulations, 2010 CFR

2010-10-01

... program: (a) Title. The applicant must have a fee simple or other estate or interest in the site... contractor. (l) Notice of Federal Interest. The grantee shall record a Notice of Federal Interest in the... certifies that the grantee institution has fee simple title to the site free and clear of all liens...

A Simple Spreadsheet Program for the Calculation of Lattice-Site Distributions

ERIC Educational Resources Information Center

McCaffrey, John G.

2009-01-01

A simple spreadsheet program is presented that can be used by undergraduate students to calculate the lattice-site distributions in solids. A major strength of the method is the natural way in which the correct number of ions or atoms are present, or absent, at specific lattice distances. The expanding-cube method utilized is straightforward to…

Modelling the range expansion of the Tiger mosquito in a Mediterranean Island accounting for imperfect detection.

PubMed

Tavecchia, Giacomo; Miranda, Miguel-Angel; Borrás, David; Bengoa, Mikel; Barceló, Carlos; Paredes-Esquivel, Claudia; Schwarz, Carl

2017-01-01

Aedes albopictus (Diptera; Culicidae) is a highly invasive mosquito species and a competent vector of several arboviral diseases that have spread rapidly throughout the world. Prevalence and patterns of dispersal of the mosquito are of central importance for an effective control of the species. We used site-occupancy models accounting for false negative detections to estimate the prevalence, the turnover, the movement pattern and the growth rate in the number of sites occupied by the mosquito in 17 localities throughout Mallorca Island. Site-occupancy probability increased from 0.35 in the 2012, year of first reported observation of the species, to 0.89 in 2015. Despite a steady increase in mosquito presence, the extinction probability was generally high indicating a high turnover in the occupied sites. We considered two site-dependent covariates, namely the distance from the point of first observation and the estimated yearly occupancy rate in the neighborhood, as predicted by diffusion models. Results suggested that mosquito distribution during the first year was consistent with what predicted by simple diffusion models, but was not consistent with the diffusion model in subsequent years when it was similar to those expected from leapfrog dispersal events. Assuming a single initial colonization event, the spread of Ae. albopictus in Mallorca followed two distinct phases, an early one consistent with diffusion movements and a second consistent with long distance, 'leapfrog', movements. The colonization of the island was fast, with ~90% of the sites estimated to be occupied 3 years after the colonization. The fast spread was likely to have occurred through vectors related to human mobility such as cars or other vehicles. Surveillance and management actions near the introduction point would only be effective during the early steps of the colonization.

Extension of Hopfield’s Electron Transfer Model To Accommodate Site–Site Correlation

DOE PAGES

Newton, Marshall D.

2015-10-26

Extension of the Förster analogue for the ET rate constant (based on virtual intermediate electron detachment or attachment states) with inclusion of site–site correlation due to coulomb terms associated with solvent reorganization energy and the driving force, has been developed and illustrated for a simple three-state, two-mode model. Furthermore, the model is applicable to charge separation (CS), recombination (CR), and shift (CSh) ET processes, with or without an intervening bridge. The model provides a unified perspective on the role of virtual intermediate states in accounting for the thermal Franck–Condon weighted density of states (FCWD), the gaps controlling superexchange coupling, andmore » mean absolute redox potentials, with full accommodation of site–site coulomb interactions. We analyzed two types of correlation: aside from the site–site correlation due to coulomb interactions, we have emphasized the intrinsic “nonorthogonality” which generally pertains to reaction coordinates (RCs) for different ET processes involving multiple electronic states, as may be expressed by suitably defined direction cosines (cos(θ)). A pair of RCs may be nonorthogonal even when the site–site coulomb correlations are absent. While different RCs are linearly independent in the mathematical sense for all θ ≠ 0°, they are independent in the sense of being “uncorrelated” only in the limit of orthogonality (θ = 90°). There is application to more than two coordinates is straightforward and may include both discrete and continuum contributions.« less

Suspended sediment transport in the freshwater reach of the Hudson river estuary in eastern New York

USGS Publications Warehouse

Wall, G.R.; Nystrom, E.A.; Litten, S.

2008-01-01

Deposition of Hudson River sediment into New York Harbor interferes with navigation lanes and requires continuous dredging. Sediment dynamics at the Hudson estuary turbidity maximum (ETM) have received considerable study, but delivery of sediment to the ETM through the freshwater reach of the estuary has received relatively little attention and few direct measurements. An acoustic Doppler current profiler was positioned at the approximate limit of continuous freshwater to develop a 4-year time series of water velocity, discharge, suspended sediment concentration, and suspended sediment discharge. This data set was compared with suspended sediment discharge data collected during the same period at two sites just above the Hudson head-of-tide (the Federal Dam at Troy) that together represent the single largest source of sediment entering the estuary. The mean annual suspended sediment-discharge from the freshwater reach of the estuary was 737,000 metric tons. Unexpectedly, the total suspended sediment discharge at the study site in November and December slightly exceeded that observed during March and April, the months during which rain and snowmelt typically result in the largest sediment discharge to the estuary. Suspended sediment discharge at the study site exceeded that from the Federal Dam, even though the intervening reach appears to store significant amounts of sediment, suggesting that 30-40% of sediment discharge observed at the study site is derived from tributaries to the estuary between the Federal Dam and study site. A simple model of sediment entering and passing through the freshwater reach on a timescale of weeks appears reasonable during normal hydrologic conditions in adjoining watersheds; however, this simple model may dramatically overestimate sediment delivery during extreme tributary high flows, especially those at the end of, or after, the "flushing season" (October through April). Previous estimates of annual or seasonal sediment delivery from tributaries and the Federal Dam to the ETM and harbor may be high for those years with extreme tributary high-flow events. ?? 2008 Coastal and Estuarine Research Federation.

Mechano-genetic DNA hydrogels as a simple, reconstituted model to probe the effect of active fluctuations on gene transcription

NASA Astrophysics Data System (ADS)

Nguyen, Dan; Saleh, Omar

Active fluctuations - non-directed fluctuations attributable, not to thermal energy, but to non-equilibrium processes - are thought to influence biology by increasing the diffusive motion of biomolecules. Dense DNA regions within cells (i.e. chromatin) are expected to exhibit such phenomena, as they are cross-linked networks that continually experience propagating forces arising from dynamic cellular activity. Additional agitation within these gene-encoding DNA networks could have potential genetic consequences. By changing the local mobility of transcriptional machinery and regulatory proteins towards/from their binding sites, and thereby influencing transcription rates, active fluctuations could prove to be a physical means of modulating gene expression. To begin probing this effect, we construct genetic DNA hydrogels, as a simple, reconstituted model of chromatin, and quantify transcriptional output from these hydrogels in the presence/absence of active fluctuations.

A method for estimating the incident PAR on inclined surfaces

NASA Astrophysics Data System (ADS)

Xie, Xiaoping; Gao, Wei; Gao, Zhiqiang

2008-08-01

A new simple model has been developed that incorporates Digital Elevation Model (DEM) and Moderate Resolution Imaging Spectroradiometer (MODIS) products to produce incident photosynthetically active radiation (PAR) for tilted surface. The method is based on a simplification of the general radiative transfer equation, which considers five major processes of attenuation of solar radiation: 1) Rayleigh scattering, 2) absorption by ozone and water vapor, 3) aerosol scattering, 4) multiple reflectance between surface and atmosphere, and 5) three terrain factors: slope and aspect, isotropic sky view factor, and additional radiation by neighbor reflectance. A comparison of the model results with observational data from the Yucheng and Changbai Mountain sites of the Chinese Ecosystem Research Network (CERN) shows the correlation coefficient as 0.929 and 0.904, respectively. A comparison of the model results with the 2006 filed measured PAR in the Yucheng and Changbai sites shows the correlation coefficient as 0.929 and 0.904, respectively, and the average percent error as 10% and 15%, respectively.

1997 Annual Tropical Cyclone Report

DTIC Science & Technology

1997-01-01

caused much loss of life and great destruction at their respective landfall sites in China andVietnam. Mainland Japan, the Ryukyu Islands, the Bonin ...Aside from passing through the Volcano Islands and the Bonin Islands of Japan, Nestor remained over water. Nestor did produce some high waves on...DYNAMIC AVERAGE ( DAVE ) A simple average of all dynamic forecast aids: NOGAPS (NGPS), Bracknell (EGRR), Japanese Typhoon Model (JTYM), JT92, FBAM, OTCM

A Simple Model for the Earthquake Cycle Combining Self-Organized Criticality with Critical Point Behavior

NASA Astrophysics Data System (ADS)

Newman, W. I.; Turcotte, D. L.

2002-12-01

We have studied a hybrid model combining the forest-fire model with the site-percolation model in order to better understand the earthquake cycle. We consider a square array of sites. At each time step, a "tree" is dropped on a randomly chosen site and is planted if the site is unoccupied. When a cluster of "trees" spans the site (a percolating cluster), all the trees in the cluster are removed ("burned") in a "fire." The removal of the cluster is analogous to a characteristic earthquake and planting "trees" is analogous to increasing the regional stress. The clusters are analogous to the metastable regions of a fault over which an earthquake rupture can propagate once triggered. We find that the frequency-area statistics of the metastable regions are power-law with a negative exponent of two (as in the forest-fire model). This is analogous to the Gutenberg-Richter distribution of seismicity. This "self-organized critical behavior" can be explained in terms of an inverse cascade of clusters. Individual trees move from small to larger clusters until they are destroyed. This inverse cascade of clusters is self-similar and the power-law distribution of cluster sizes has been shown to have an exponent of two. We have quantified the forecasting of the spanning fires using error diagrams. The assumption that "fires" (earthquakes) are quasi-periodic has moderate predictability. The density of trees gives an improved degree of predictability, while the size of the largest cluster of trees provides a substantial improvement in forecasting a "fire."

Observation Data Model Core Components, its Implementation in the Table Access Protocol Version 1.1

NASA Astrophysics Data System (ADS)

Louys, Mireille; Tody, Doug; Dowler, Patrick; Durand, Daniel; Michel, Laurent; Bonnarel, Francos; Micol, Alberto; IVOA DataModel Working Group; Louys, Mireille; Tody, Doug; Dowler, Patrick; Durand, Daniel

2017-05-01

This document defines the core components of the Observation data model that are necessary to perform data discovery when querying data centers for astronomical observations of interest. It exposes use-cases to be carried out, explains the model and provides guidelines for its implementation as a data access service based on the Table Access Protocol (TAP). It aims at providing a simple model easy to understand and to implement by data providers that wish to publish their data into the Virtual Observatory. This interface integrates data modeling and data access aspects in a single service and is named ObsTAP. It will be referenced as such in the IVOA registries. In this document, the Observation Data Model Core Components (ObsCoreDM) defines the core components of queryable metadata required for global discovery of observational data. It is meant to allow a single query to be posed to TAP services at multiple sites to perform global data discovery without having to understand the details of the services present at each site. It defines a minimal set of basic metadata and thus allows for a reasonable cost of implementation by data providers. The combination of the ObsCoreDM with TAP is referred to as an ObsTAP service. As with most of the VO Data Models, ObsCoreDM makes use of STC, Utypes, Units and UCDs. The ObsCoreDM can be serialized as a VOTable. ObsCoreDM can make reference to more complete data models such as Characterisation DM, Spectrum DM or Simple Spectral Line Data Model (SSLDM). ObsCore shares a large set of common concepts with DataSet Metadata Data Model (Cresitello-Dittmar et al. 2016) which binds together most of the data model concepts from the above models in a comprehensive and more general frame work. This current specification on the contrary provides guidelines for implementing these concepts using the TAP protocol and answering ADQL queries. It is dedicated to global discovery.

The Potential Effect of Sea Level Rise on Coastal Property Values

NASA Astrophysics Data System (ADS)

O'Donnell, J.

2015-12-01

It is well established that one consequence of increasing global sea level is that the frequency of flooding at low-lying coastal sites will increase. We review recent evidence that the effects coastal geometry will create substantial spatial variations in the changes in flooding frequency with scales of order 100km. Using a simple model of the evolution of coastal property values we demonstrate that a consequence of sea level rise is that the appreciation of coastal properties will peak, and then decline relative to higher properties. The time when the value reach a maximum is shown to depend upon the demand for the coastal property, and the local rate of change of flooding frequency due to sea level rise. The simple model is then extended to include, in an elementary manner, the effects on the value of adjacent but higher properties. We show that the effect of increased flooding frequency of the lower properties leads to an accelerated appreciation of the value of upland properties and an accelerated decline in the value of the coastal properties. We then provide some example calculations for selected sites. We conclude with a discussion of comparisons of the prediction of the analyses to recent data, and then comments on the impact of sea level rise on tax base of coastal communities.

Branch Input Resistance and Steady Attenuation for Input to One Branch of a Dendritic Neuron Model

PubMed Central

Rall, Wilfrid; Rinzel, John

1973-01-01

Mathematical solutions and numerical illustrations are presented for the steady-state distribution of membrane potential in an extensively branched neuron model, when steady electric current is injected into only one dendritic branch. Explicit expressions are obtained for input resistance at the branch input site and for voltage attenuation from the input site to the soma; expressions for AC steady-state input impedance and attenuation are also presented. The theoretical model assumes passive membrane properties and the equivalent cylinder constraint on branch diameters. Numerical examples illustrate how branch input resistance and steady attenuation depend upon the following: the number of dendritic trees, the orders of dendritic branching, the electrotonic length of the dendritic trees, the location of the dendritic input site, and the input resistance at the soma. The application to cat spinal motoneurons, and to other neuron types, is discussed. The effect of a large dendritic input resistance upon the amount of local membrane depolarization at the synaptic site, and upon the amount of depolarization reaching the soma, is illustrated and discussed; simple proportionality with input resistance does not hold, in general. Also, branch input resistance is shown to exceed the input resistance at the soma by an amount that is always less than the sum of core resistances along the path from the input site to the soma. PMID:4715583

Analytical study of nano-scale logical operations

NASA Astrophysics Data System (ADS)

Patra, Moumita; Maiti, Santanu K.

2018-07-01

A complete analytical prescription is given to perform three basic (OR, AND, NOT) and two universal (NAND, NOR) logic gates at nano-scale level using simple tailor made geometries. Two different geometries, ring-like and chain-like, are taken into account where in each case the bridging conductor is coupled to a local atomic site through a dangling bond whose site energy can be controlled by means of external gate electrode. The main idea is that when injecting electron energy matches with site energy of local atomic site transmission probability drops exactly to zero, whereas the junction exhibits finite transmission for other energies. Utilizing this prescription we perform logical operations, and, we strongly believe that the proposed results can be verified in laboratory. Finally, we numerically compute two-terminal transmission probability considering general models and the numerical results match exactly well with our analytical findings.

Use of paired simple and complex models to reduce predictive bias and quantify uncertainty

NASA Astrophysics Data System (ADS)

Doherty, John; Christensen, Steen

2011-12-01

Modern environmental management and decision-making is based on the use of increasingly complex numerical models. Such models have the advantage of allowing representation of complex processes and heterogeneous system property distributions inasmuch as these are understood at any particular study site. The latter are often represented stochastically, this reflecting knowledge of the character of system heterogeneity at the same time as it reflects a lack of knowledge of its spatial details. Unfortunately, however, complex models are often difficult to calibrate because of their long run times and sometimes questionable numerical stability. Analysis of predictive uncertainty is also a difficult undertaking when using models such as these. Such analysis must reflect a lack of knowledge of spatial hydraulic property details. At the same time, it must be subject to constraints on the spatial variability of these details born of the necessity for model outputs to replicate observations of historical system behavior. In contrast, the rapid run times and general numerical reliability of simple models often promulgates good calibration and ready implementation of sophisticated methods of calibration-constrained uncertainty analysis. Unfortunately, however, many system and process details on which uncertainty may depend are, by design, omitted from simple models. This can lead to underestimation of the uncertainty associated with many predictions of management interest. The present paper proposes a methodology that attempts to overcome the problems associated with complex models on the one hand and simple models on the other hand, while allowing access to the benefits each of them offers. It provides a theoretical analysis of the simplification process from a subspace point of view, this yielding insights into the costs of model simplification, and into how some of these costs may be reduced. It then describes a methodology for paired model usage through which predictive bias of a simplified model can be detected and corrected, and postcalibration predictive uncertainty can be quantified. The methodology is demonstrated using a synthetic example based on groundwater modeling environments commonly encountered in northern Europe and North America.

Genetic dissection of the consensus sequence for the class 2 and class 3 flagellar promoters

PubMed Central

Wozniak, Christopher E.; Hughes, Kelly T.

2008-01-01

Summary Computational searches for DNA binding sites often utilize consensus sequences. These search models make assumptions that the frequency of a base pair in an alignment relates to the base pair’s importance in binding and presume that base pairs contribute independently to the overall interaction with the DNA binding protein. These two assumptions have generally been found to be accurate for DNA binding sites. However, these assumptions are often not satisfied for promoters, which are involved in additional steps in transcription initiation after RNA polymerase has bound to the DNA. To test these assumptions for the flagellar regulatory hierarchy, class 2 and class 3 flagellar promoters were randomly mutagenized in Salmonella. Important positions were then saturated for mutagenesis and compared to scores calculated from the consensus sequence. Double mutants were constructed to determine how mutations combined for each promoter type. Mutations in the binding site for FlhD4C2, the activator of class 2 promoters, better satisfied the assumptions for the binding model than did mutations in the class 3 promoter, which is recognized by the σ28 transcription factor. These in vivo results indicate that the activator sites within flagellar promoters can be modeled using simple assumptions but that the DNA sequences recognized by the flagellar sigma factor require more complex models. PMID:18486950

Prediction of resource volumes at untested locations using simple local prediction models

USGS Publications Warehouse

Attanasi, E.D.; Coburn, T.C.; Freeman, P.A.

2006-01-01

This paper shows how local spatial nonparametric prediction models can be applied to estimate volumes of recoverable gas resources at individual undrilled sites, at multiple sites on a regional scale, and to compute confidence bounds for regional volumes based on the distribution of those estimates. An approach that combines cross-validation, the jackknife, and bootstrap procedures is used to accomplish this task. Simulation experiments show that cross-validation can be applied beneficially to select an appropriate prediction model. The cross-validation procedure worked well for a wide range of different states of nature and levels of information. Jackknife procedures are used to compute individual prediction estimation errors at undrilled locations. The jackknife replicates also are used with a bootstrap resampling procedure to compute confidence bounds for the total volume. The method was applied to data (partitioned into a training set and target set) from the Devonian Antrim Shale continuous-type gas play in the Michigan Basin in Otsego County, Michigan. The analysis showed that the model estimate of total recoverable volumes at prediction sites is within 4 percent of the total observed volume. The model predictions also provide frequency distributions of the cell volumes at the production unit scale. Such distributions are the basis for subsequent economic analyses. ?? Springer Science+Business Media, LLC 2007.

A simple protocol using underwater epoxy to install annual temperature monitoring sites in rivers and streams

Treesearch

Daniel J. Isaak; Dona L. Horan; Sherry P. Wollrab

2013-01-01

Thermal regimes in rivers and streams are fundamental determinants of biological processes and are often monitored for regulatory compliance. Here, we describe a simple technique for establishing annual monitoring sites that uses underwater epoxy to attach miniature sensors to large rocks and cement bridge supports, which then serve as protective anchors. More than 500...

The Persistence of Mode 1 Technology in the Korean Late Paleolithic

PubMed Central

Lee, Hyeong Woo

2013-01-01

Ssangjungri (SJ), an open-air site with several Paleolithic horizons, was recently discovered in South Korea. Most of the identified artifacts are simple core and flake tools that indicate an expedient knapping strategy. Bifacially worked core tools, which might be considered non-classic bifaces, also have been found. The prolific horizons at the site were dated by accelerator mass spectrometry (AMS) to about 30 kya. Another newly discovered Paleolithic open-air site, Jeungsan (JS), shows a homogeneous lithic pattern during this period. The dominated artifact types and usage of raw materials are similar in character to those from SJ, although JS yielded a larger number of simple core and flake tools with non-classic bifaces. Chronometric analysis by AMS and optically stimulated luminescence (OSL) indicate that the prime stratigraphic levels at JS also date to approximately 30 kya, and the numerous conjoining pieces indicate that the layers were not seriously affected by post-depositional processes. Thus, it can be confirmed that simple core and flake tools were produced at temporally and culturally independent sites until after 30 kya, supporting the hypothesis of a wide and persistent use of simple technology into the Late Pleistocene. PMID:23724113

Hydrological and geomorphological controls of malaria transmission

NASA Astrophysics Data System (ADS)

Smith, M. W.; Macklin, M. G.; Thomas, C. J.

2013-01-01

Malaria risk is linked inextricably to the hydrological and geomorphological processes that form vector breeding sites. Yet environmental controls of malaria transmission are often represented by temperature and rainfall amounts, ignoring hydrological and geomorphological influences altogether. Continental-scale studies incorporate hydrology implicitly through simple minimum rainfall thresholds, while community-scale coupled hydrological and entomological models do not represent the actual diversity of the mosquito vector breeding sites. The greatest range of malaria transmission responses to environmental factors is observed at the catchment scale where seemingly contradictory associations between rainfall and malaria risk can be explained by hydrological and geomorphological processes that govern surface water body formation and persistence. This paper extends recent efforts to incorporate ecological factors into malaria-risk models, proposing that the same detailed representation be afforded to hydrological and, at longer timescales relevant for predictions of climate change impacts, geomorphological processes. We review existing representations of environmental controls of malaria and identify a range of hydrologically distinct vector breeding sites from existing literature. We illustrate the potential complexity of interactions among hydrology, geomorphology and vector breeding sites by classifying a range of water bodies observed in a catchment in East Africa. Crucially, the mechanisms driving surface water body formation and destruction must be considered explicitly if we are to produce dynamic spatial models of malaria risk at catchment scales.

Ground-State of the Bose-Hubbard Model

NASA Astrophysics Data System (ADS)

Mancini, J. D.; Fessatidis, V.; Bowen, S. P.; Murawski, R. K.; Maly, J.

The Bose-Hubbard Model represents a s simple theoretical model to describe the physics of interacting Boson systems. In particular it has proved to be an effective description of a number of physical systems such as arrays of Josephson arrays as well as dilute alkali gases in optical lattices. Here we wish to study the ground-state of this system using two disparate but related moments calculational schemes: the Lanczos (tridiagonal) method as well as a Generalized moments approach. The Hamiltonian to be studied is given by (in second-quantized notation): H = - t ∑ < i , j > bi†bj +U/2 ∑ inini - 1 - μ ∑ ini . Here i is summed over all lattice sites, and < i , j > denotes summation over all neighbhoring sites i and j, while bi† and bi are bosonic creation and annihilation operators. ni = bi†bi gives the number of particles on site i. Parameter t is the hopping amplitude, describing mobility of bosons in the lattice. Parameter U describes the on-site interaction, repulsive, if U > 0 , and attractive for U < 0 . μ is the chemical potential. Both the ground-state energy and energy gap are evaluated as a function of t, U and μ.

Localization in finite vibroimpact chains: Discrete breathers and multibreathers.

PubMed

Grinberg, Itay; Gendelman, Oleg V

2016-09-01

We explore the dynamics of strongly localized periodic solutions (discrete solitons or discrete breathers) in a finite one-dimensional chain of oscillators. Localization patterns with both single and multiple localization sites (breathers and multibreathers) are considered. The model involves parabolic on-site potential with rigid constraints (the displacement domain of each particle is finite) and a linear nearest-neighbor coupling. When the particle approaches the constraint, it undergoes an inelastic impact according to Newton's impact model. The rigid nonideal impact constraints are the only source of nonlinearity and damping in the system. We demonstrate that this vibro-impact model allows derivation of exact analytic solutions for the breathers and multibreathers with an arbitrary set of localization sites, both in conservative and in forced-damped settings. Periodic boundary conditions are considered; exact solutions for other types of boundary conditions are also available. Local character of the nonlinearity permits explicit derivation of a monodromy matrix for the breather solutions. Consequently, the stability of the derived breather and multibreather solutions can be efficiently studied in the framework of simple methods of linear algebra, and with rather moderate computational efforts. One reveals that that the finiteness of the chain fragment and possible proximity of the localization sites strongly affect both the existence and the stability patterns of these localized solutions.

Spatiotemporal Variability of Turbulence Kinetic Energy Budgets in the Convective Boundary Layer over Both Simple and Complex Terrain

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

Rai, Raj K.; Berg, Larry K.; Pekour, Mikhail

The assumption of sub-grid scale (SGS) horizontal homogeneity within a model grid cell, which forms the basis of SGS turbulence closures used by mesoscale models, becomes increasingly tenuous as grid spacing is reduced to a few kilometers or less, such as in many emerging high-resolution applications. Herein, we use the turbulence kinetic energy (TKE) budget equation to study the spatio-temporal variability in two types of terrain—complex (Columbia Basin Wind Energy Study [CBWES] site, north-eastern Oregon) and flat (ScaledWind Farm Technologies [SWiFT] site, west Texas) using the Weather Research and Forecasting (WRF) model. In each case six-nested domains (three domains eachmore » for mesoscale and large-eddy simulation [LES]) are used to downscale the horizontal grid spacing from 10 km to 10 m using the WRF model framework. The model output was used to calculate the values of the TKE budget terms in vertical and horizontal planes as well as the averages of grid cells contained in the four quadrants (a quarter area) of the LES domain. The budget terms calculated along the planes and the mean profile of budget terms show larger spatial variability at CBWES site than at the SWiFT site. The contribution of the horizontal derivative of the shear production term to the total production shear was found to be 45% and 15% of the total shear, at the CBWES and SWiFT sites, respectively, indicating that the horizontal derivatives applied in the budget equation should not be ignored in mesoscale model parameterizations, especially for cases with complex terrain with <10 km scale.« less

Review of magnetic field monitoring near active faults and volcanic calderas in California: 1974-1995

USGS Publications Warehouse

Mueller, R.J.; Johnston, M.J.S.

1998-01-01

Differential magnetic fields have been monitored along the San Andreas fault and the Long Valley caldera since 1974. At each monitoring location, proton precession magnetometers sample total magnetic field intensity at a resolution of 0.1 nT or 0.25 nT. Every 10 min, data samples are transmitted via satellite telemetry to Menlo Park, CA for processing and analysis. The number of active magnetometer sites has varied during the past 21 years from 6 to 25, with 12 sites currently operational. We use this network to identify magnetic field changes generated by earthquake and volcanic processes. During the two decades of monitoring, five moderate earthquakes (M5.9 to M7.3) have occurred within 20 km of magnetometer sites located along the San Andreas fault and only one preseismic signal of 1.5 nT has been observed. During moderate earthquakes, coseismic magnetic signals, with amplitudes from 0.7 nT to 1.3 nT, have been identified for 3 of the 5 events. These observations are generally consistent with those calculated from simple seismomagnetic models of these earthquakes and near-fault coseismic magnetic field disturbances rarely exceed one nanotesla. These data are consistent with the concept of low shear stress and relatively uniform displacement of the San Andreas fault system as expected due to high pore fluid pressure on the fault. A systematic decrease of 0.8-1 nT/year in magnetic field has occurred in the Long Valley caldera since 1989. These magnetic field data are similar in form to observed geodetically measured displacements from inflation of the resurgent dome. A simple volcanomagnetic model involving pressure increase of 50 MPa/a at a depth of 7 km under the resurgent dome can replicate these magnetic field observations. This model is derived from the intrusion model that best fits the surface deformation data. ?? 1998 Elsevier Science B.V.

Modeling of bud break of Scots pine in northern Finland in 1908–2014

PubMed Central

Salminen, Hannu; Jalkanen, Risto

2015-01-01

Bud break and height-growth of Scots pine (Pinus sylvestris L.) in the northern boreal zone in Lapland, Finland, was followed through the entire growing seasons in the periods 2001–2003 and 2008–2010 in sapling stands in two different locations in northern Finland set some 250 km apart along a latitudinal transect. Field measurements continued at the southern site also in 2011–2013. Air temperature was recorded hourly at the sites. A simple optimization algorithm (GA) was used to adjust parameters of the models predicting the timing of bud break of Scots pine in order to minimize the difference between observed and predicted dates. The models giving the best performance and century-long daily temperatures were used to reconstruct bud-break time series. The temperature observations were recorded for the period 1908–2014 in Sodankylä, which is located in-between the sapling stands in the north–south direction and for the period 1877–2014 in Karasjok, which is in Norway about 145 km north–west from the northernmost stand of this study. On average buds began to extend in the beginning of May in the southernmost stand and in mid-May in the northernmost stands, and the variation between years was in the range of 3 weeks. A simple day-length-triggered (fixed date) model predicted most accurately the date of bud break; root mean square error (RMSE) was 2 and 4 days in the northern and southern site, respectively. The reconstructed bud-break series indicated that based on temperature observations from Sodankylä, growth onset of Scots pine has clearly advanced since the 1960s, though it currently matches that of the early 1920s and early 1950s. The temperature record from Karasjok indicated a similar variation, though there was a weak linear trend advancing bud break by about 3–4 days over a 100-year period. PMID:25798141

A simple model for solvation in mixed solvents. Applications to the stabilization and destabilization of macromolecular structures.

PubMed

Schellman, J A

1990-08-31

The properties of a simple model for solvation in mixed solvents are explored in this paper. The model is based on the supposition that solvent replacement is a simple one-for-one substitution reaction at macromolecular sites which are independent of one another. This leads to a new form for the binding polynomial in which all terms are associated with ligand interchange rather than ligand addition. The principal solvent acts as one of the ligands. Thermodynamic analysis then shows that thermodynamic binding (i.e., selective interaction) depends on the properties of K'-1, whereas stoichiometric binding (site occupation) depends on K'. K' is a 'practical' interchange equilibrium constant given by (f3/f1)K, where K is the true equilibrium constant for the interchange of components 3 and 1 on the site and f3 and f4 denote their respective activity coefficients on the mole fraction scale. Values of K' less than unity lead to negative selective interaction. It is selective interaction and not occupation number which determines the thermodynamic effects of solvation. When K' greater than 100 on the mole fraction scale or K' greater than 2 on the molality scale (in water), the differences between stoichiometric binding and selective interaction become less than 1%. The theory of this paper is therefore necessary only for very weak binding constants. When K'-1 is small, large concentrations of the added solvent component are required to produce a thermodynamic effect. Under these circumstances the isotherms for the selective interaction and for the excess (or transfer) free energy are strongly dependent on the behavior of the activity coefficients of both solvent components. Two classes of behavior are described depending on whether the components display positive or negative deviations from Raoult's law. Examples which are discussed are aqueous solutions of urea and guanidinium chloride for positive deviations and of sucrose and glucose for negative deviations. Examination of the few studies which have been reported in the literature shows that most of the qualitative features of the stabilization of proteins by sugars and their destabilization by urea and guanidinium chloride are faithfully represented with the model. This includes maxima in the free energy of stabilization and destabilization, decreased and zero selective interaction at high concentrations, etc. These phenomena had no prior explanation. Deficiencies in the model as a representation of solvation in aqueous solution are discussed in the appendix.

Estimation of groundwater recharge to chalk and sandstone aquifers using simple soil models

NASA Astrophysics Data System (ADS)

Ragab, R.; Finch, J.; Harding, R.

1997-03-01

On the assumption that the water draining below the root zone is potentially available for groundwater recharge, two current UK methods for estimating annual groundwater recharge have been compared with a new soil model using data from four sites under permanent grass in the UK: two sites representative of the Chalk aquifer at Bridgest Farm (Hampshire) and Fleam Dyke (Cambridgeshire), and two sites on the Triassic sandstone at Bicton College (Devon) and Bacon Hall (Shropshire). A Four Root Layers Model (FRLM), the Penman-Grindley model and the UK Meteorological Office Rainfall and Evaporation Calculation System (MORECS) were used. The new soil model was run with potential evaporation as input both from the MORECS and from the Penman-Monteith equation. The models were run for the Chalk sites both with and without a bypass flow of 15% of rainfall. Bypass was not considered for the sandstone sites. The performance of the models was tested against neutron probes measurements of soil moisture deficits. In addition, the annual groundwater recharge estimated from the models was compared with the published values obtained from the 'zero flux plane' method. Generally, the Penman-Grindley model was more successful in predicting the time for soil to return to its field capacity than in predicting the magnitude of the soil moisture deficit. The annual groundwater recharge was predicted with reasonable accuracy. The MORECS relatively tended to overestimate the soil moisture deficits and to delay the time at which the soil returns to its field capacity. The consequences were underestimates of annual groundwater recharge, owing either to the higher values of potential evaporation calculated from the MORECS or tothe high available water capacity values associated with the soils under consideration. The new soil model (FRLM) predicts the soil moisture deficits successfully and hence is reliable in estimating the annual groundwater recharge. The model is capable of doing this with potential evaporation input calculated either from the MORECS or from the Penman-Monteith equation. The model also demonstrated that the inclusion of 15% of rainfall as bypass flow is viable for Chalk sites.

An investigation into the potential of low head hydro power in Northern Ireland for the production of electricity

NASA Astrophysics Data System (ADS)

Redpath, David; Ward, Michael J.

2017-07-01

The maximum exploitable potential for low head hydroelectric sites (gross head≤10 m) in Northern Ireland (NI) was determined as 12.07 MW using a simple payback analysis for 304 potential sites investigated to derive a classification scheme in terms of economic viability. A techno-economic analysis with validated numerical models from previous research estimated the capital investment required for the development of a hydroelectric plant, using the low head Michell-Banki cross flow turbine, for the 304 sites investigated. The number of potentially viable sites in NI for low head hydro ranged from 198 to 286 with an estimated installed capacity ranging from 11.95 to 12.05 MW. Sites with a limited installed capacity were not economically viable unless increased government support in the form of longer term (25-50 years) low interest loans as well as the current (Renewables Obligations Certificates) Renewables Obligation Certificates scheme is provided and sustained.

Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

PubMed Central

Lund, Tracy J; Koretsky, Carla M; Landry, Christopher J; Schaller, Melinda S; Das, Soumya

2008-01-01

Background The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO), pure kaolinite (from two sources) and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs) describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples. PMID:18783619

Comparison of designed and randomly generated catalysts for simple chemical reactions.

PubMed

Kipnis, Yakov; Baker, David

2012-09-01

There has been recent success in designing enzymes for simple chemical reactions using a two-step protocol. In the first step, a geometric matching algorithm is used to identify naturally occurring protein scaffolds at which predefined idealized active sites can be realized. In the second step, the residues surrounding the transition state model are optimized to increase transition state binding affinity and to bolster the primary catalytic side chains. To improve the design methodology, we investigated how the set of solutions identified by the design calculations relate to the overall set of solutions for two different chemical reactions. Using a TIM barrel scaffold in which catalytically active Kemp eliminase and retroaldolase designs were obtained previously, we carried out activity screens of random libraries made to be compositionally similar to active designs. A small number of active catalysts were found in screens of 10³ variants for each of the two reactions, which differ from the computational designs in that they reuse charged residues already present in the native scaffold. The results suggest that computational design considerably increases the frequency of catalyst generation for active sites involving newly introduced catalytic residues, highlighting the importance of interaction cooperativity in enzyme active sites. Copyright © 2012 The Protein Society.

A new technique for the rapid screening and selection of large pieces of tissue for ultrastructural evaluation.

PubMed

Dalley, B K; Seliger, W G

1980-05-01

A simple and rapid technique is described for the screening of Epon embedded organ slices for the location, isolation, and removal of small specific sites for ultrastructural study with the transmission electron microscope. This procedure consists of perfusion fixation followed by making 1 to 21/2 mm thick slices of relatively large pieces of the organs, control of the degree and evenness of the osmium staining by addition of 3% sodium iodate, and infiltration with a fluorescent dye prior to embedment in Epon. Tissue slices are embedded in wafer-shaped blocks, generally with several slices in one "wafer", and are examined in a controlled manner using a rapid form of serial surface polishing. Each level of the polished wafer is examined using an epi-illuminated fluorescence microscope, and selected sites are chosen at each level for ultrastructural study. Methods are also described for marking each selected site using a conventional slide marker, and for the removal of the selected site in the form of a small disc of Epon, after which the Epon wafer can be further serially polished and the examination continued. Areas to be thin-sectioned are removed using a core drill mounted on a model-maker's drill press. The technique is simple, does not require the destruction of remaining tissues to evaluate more critically a single small site, allows for the easy maintenance of tissue orientation, and the most time-consuming portions of the technique can be quickly taught to a person with no previous histological training.

A simple and efficient method for predicting protein-protein interaction sites.

PubMed

Higa, R H; Tozzi, C L

2008-09-23

Computational methods for predicting protein-protein interaction sites based on structural data are characterized by an accuracy between 70 and 80%. Some experimental studies indicate that only a fraction of the residues, forming clusters in the center of the interaction site, are energetically important for binding. In addition, the analysis of amino acid composition has shown that residues located in the center of the interaction site can be better discriminated from the residues in other parts of the protein surface. In the present study, we implement a simple method to predict interaction site residues exploiting this fact and show that it achieves a very competitive performance compared to other methods using the same dataset and criteria for performance evaluation (success rate of 82.1%).

Peak ground motion predictions with empirical site factors using Taiwan Strong Motion Network recordings

NASA Astrophysics Data System (ADS)

Chung, Jen-Kuang

2013-09-01

A stochastic method called the random vibration theory (Boore, 1983) has been used to estimate the peak ground motions caused by shallow moderate-to-large earthquakes in the Taiwan area. Adopting Brune's ω-square source spectrum, attenuation models for PGA and PGV were derived from path-dependent parameters which were empirically modeled from about one thousand accelerograms recorded at reference sites mostly located in a mountain area and which have been recognized as rock sites without soil amplification. Consequently, the predicted horizontal peak ground motions at the reference sites, are generally comparable to these observed. A total number of 11,915 accelerograms recorded from 735 free-field stations of the Taiwan Strong Motion Network (TSMN) were used to estimate the site factors by taking the motions from the predictive models as references. Results from soil sites reveal site amplification factors of approximately 2.0 ~ 3.5 for PGA and about 1.3 ~ 2.6 for PGV. Finally, as a result of amplitude corrections with those empirical site factors, about 75% of analyzed earthquakes are well constrained in ground motion predictions, having average misfits ranging from 0.30 to 0.50. In addition, two simple indices, R 0.57 and R 0.38, are proposed in this study to evaluate the validity of intensity map prediction for public information reports. The average percentages of qualified stations for peak acceleration residuals less than R 0.57 and R 0.38 can reach 75% and 54%, respectively, for most earthquakes. Such a performance would be good enough to produce a faithful intensity map for a moderate scenario event in the Taiwan region.

Simple prescribing errors and allergy documentation in medical hospital admissions in Australia and New Zealand.

PubMed

Barton, Lorna; Futtermenger, Judith; Gaddi, Yash; Kang, Angela; Rivers, Jon; Spriggs, David; Jenkins, Paul F; Thompson, Campbell H; Thomas, Josephine S

2012-04-01

This study aimed to quantify and compare the prevalence of simple prescribing errors made by clinicians in the first 24 hours of a general medical patient's hospital admission. Four public or private acute care hospitals across Australia and New Zealand each audited 200 patients' drug charts. Patient demographics, pharmacist review and pre-defined prescribing errors were recorded. At least one simple error was present on the medication charts of 672/715 patients, with a linear relationship between the number of medications prescribed and the number of errors (r = 0.571, p < 0.001). The four sites differed significantly in the prevalence of different types of simple prescribing errors. Pharmacists were more likely to review patients aged > or = 75 years (39.9% vs 26.0%; p < 0.001) and those with more than 10 drug prescriptions (39.4% vs 25.7%; p < 0.001). Patients reviewed by a pharmacist were less likely to have inadequate documentation of allergies (13.5% vs 29.4%, p < 0.001). Simple prescribing errors are common, although their nature differs from site to site. Clinical pharmacists target patients with the most complex health situations, and their involvement leads to improved documentation.

FATE 5: A natural attenuation calibration tool for groundwater fate and transport modeling

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

Nevin, J.P.; Connor, J.A.; Newell, C.J.

1997-12-31

A new groundwater attenuation modeling tool (FATE 5) has been developed to assist users with determining site-specific natural attenuation rates for organic constituents dissolved in groundwater. FATE 5 is based on and represents an enhancement to the Domenico analytical groundwater transport model. These enhancements include use of an optimization routine to match results from the Domenico model to actual measured site concentrations, an extensive database of chemical property data, and calculation of an estimate of the length of time needed for a plume to reach steady state conditions. FATE 5 was developed in Microsoft{reg_sign} Excel and is controlled by meansmore » of a simple, user-friendly graphical interface. Using the Solver routine built into Excel, FATE 5 is able to calibrate the attenuation rate used by the Domenico model to match site-specific data. By calibrating the decay rate to site-specific measurements, FATE 5 can yield accurate predictions of long-term natural attenuation processes within a groundwater within a groundwater plume. In addition, FATE 5 includes a formulation of the transient Domenico solution used to help the user determine if the steady-state assumptions employed by the model are appropriate. The calibrated groundwater flow model can then be used either to (i) predict upper-bound constituent concentrations in groundwater, based on an observed source zone concentration, or (ii) back-calculate a lower-bound SSTL value, based on a user-specified exposure point concentration at the groundwater point of exposure (POE). This paper reviews the major elements of the FATE 5 model - and gives results for real-world applications. Key modeling assumptions and summary guidelines regarding calculation procedures and input parameter selection are also addressed.« less

The potential impact of integrated malaria transmission control on entomologic inoculation rate in highly endemic areas.

PubMed

Killeen, G F; McKenzie, F E; Foy, B D; Schieffelin, C; Billingsley, P F; Beier, J C

2000-05-01

We have used a relatively simple but accurate model for predicting the impact of integrated transmission control on the malaria entomologic inoculation rate (EIR) at four endemic sites from across sub-Saharan Africa and the southwest Pacific. The simulated campaign incorporated modestly effective vaccine coverage, bed net use, and larval control. The results indicate that such campaigns would reduce EIRs at all four sites by 30- to 50-fold. Even without the vaccine, 15- to 25-fold reductions of EIR were predicted, implying that integrated control with a few modestly effective tools can meaningfully reduce malaria transmission in a range of endemic settings. The model accurately predicts the effects of bed nets and indoor spraying and demonstrates that they are the most effective tools available for reducing EIR. However, the impact of domestic adult vector control is amplified by measures for reducing the rate of emergence of vectors or the level of infectiousness of the human reservoir. We conclude that available tools, including currently neglected methods for larval control, can reduce malaria transmission intensity enough to alleviate mortality. Integrated control programs should be implemented to the fullest extent possible, even in areas of intense transmission, using simple models as decision-making tools. However, we also conclude that to eliminate malaria in many areas of intense transmission is beyond the scope of methods which developing nations can currently afford. New, cost-effective, practical tools are needed if malaria is ever to be eliminated from highly endemic areas.

Exact solution of a model DNA-inversion genetic switch with orientational control.

PubMed

Visco, Paolo; Allen, Rosalind J; Evans, Martin R

2008-09-12

DNA inversion is an important mechanism by which bacteria and bacteriophage switch reversibly between phenotypic states. In such switches, the orientation of a short DNA element is flipped by a site-specific recombinase enzyme. We propose a simple model for a DNA-inversion switch in which recombinase production is dependent on the switch state (orientational control). Our model is inspired by the fim switch in E. coli. We present an exact analytical solution of the chemical master equation for the model switch, as well as stochastic simulations. Orientational control causes the switch to deviate from Poissonian behavior: the distribution of times in the on state shows a peak and successive flip times are correlated.

Application of a dual unscented Kalman filter for simultaneous state and parameter estimation in problems of surface-atmosphere exchange

Treesearch

J.H. Gove; D.Y. Hollinger; D.Y. Hollinger

2006-01-01

A dual unscented Kalman filter (UKF) was used to assimilate net CO2 exchange (NEE) data measured over a spruce-hemlock forest at the Howland AmeriFlux site in Maine, USA, into a simple physiological model for the purpose of filling gaps in an eddy flux time series. In addition to filling gaps in the measurement record, the UKF approach provides continuous estimates of...

A data-led comparison of simple canopy radiative transfer models for the boreal forest

NASA Astrophysics Data System (ADS)

Reid, T.; Essery, R.; Rutter, N.; King, M.

2012-12-01

Given the computational complexity of numerical weather and climate models, it is worthwhile developing very simple parameterizations for processes such as the transmission of radiation through forest canopies. For this reason, the land surface schemes in global models, and most snow hydrological models, tend to use simple one-dimensional approaches based on Beer's Law or two-stream approximations. Such approaches assume a continuous canopy structure that may not be suitable for the varied, heterogeneous forest cover in boreal regions, especially in winter when snow in the canopy and on the ground may either block radiation or produce multiple reflections between the ground and the trees. There is great benefit in comparing models to real transmissivity values calculated from radiation measurements below and above Arctic canopies. In particular, there is a lack of data for leafless boreal deciduous forests, where canopy gaps are prevalent even at low solar elevation angles near the horizon. In this study, models are compared to radiation data collected in an area of boreal birch forest near Abisko, Sweden in March/April 2011 and mixed conifer forest at Sodankylä, Finland in March/April 2012. Arrays comprising ten shortwave pyranometers were deployed for periods of up to 50 days, under forest plots of varying canopy structures and densities. In addition, global and diffuse shortwave irradiances were recorded at nearby open sites representing the top-of-canopy conditions. A model is developed that explicitly accounts for both diffuse radiation and direct beam transmission on a 5-minute timestep, by using upward-looking hemispherical photographs taken from every pyranometer site. This model reproduces measured transmissivity, although with a slight underestimation, especially at low solar elevations - this could be attributed to multiple reflections that are not accounted for in the model. On the other hand, models based on Beer's Law tend to underestimate the canopy transmissivity significantly, especially for leafless birch canopies where the required assumption of a continuous canopy breaks down. These findings are important for the often sparse, heterogeneous forest cover in boreal regions, where forest edges and canopy gaps are plentiful. They could also have an impact on estimations of overall land surface albedo. Moreover, all models are sensitive to the partitioning of top-of-canopy radiation into its direct and diffuse components, which is complicated by the low solar elevations in the Arctic. More research is required to decide the best way of quantifying the diffuse fraction, using data alongside both physical and empirical models.

Organ Dose-Rate Calculations for Small Mammals at Maralinga, the Nevada Test Site, Hanford and Fukushima: A Comparison of Ellipsoidal and Voxelized Dosimetric Methodologies.

PubMed

Caffrey, Emily A; Johansen, Mathew P; Higley, Kathryn A

2015-10-01

Radiological dosimetry for nonhuman biota typically relies on calculations that utilize the Monte Carlo simulations of simple, ellipsoidal geometries with internal radioactivity distributed homogeneously throughout. In this manner it is quick and easy to estimate whole-body dose rates to biota. Voxel models are detailed anatomical phantoms that were first used for calculating radiation dose to humans, which are now being extended to nonhuman biota dose calculations. However, if simple ellipsoidal models provide conservative dose-rate estimates, then the additional labor involved in creating voxel models may be unnecessary for most scenarios. Here we show that the ellipsoidal method provides conservative estimates of organ dose rates to small mammals. Organ dose rates were calculated for environmental source terms from Maralinga, the Nevada Test Site, Hanford and Fukushima using both the ellipsoidal and voxel techniques, and in all cases the ellipsoidal method yielded more conservative dose rates by factors of 1.2-1.4 for photons and 5.3 for beta particles. Dose rates for alpha-emitting radionuclides are identical for each method as full energy absorption in source tissue is assumed. The voxel procedure includes contributions to dose from organ-to-organ irradiation (shown here to comprise 2-50% of total dose from photons and 0-93% of total dose from beta particles) that is not specifically quantified in the ellipsoidal approach. Overall, the voxel models provide robust dosimetry for the nonhuman mammals considered in this study, and though the level of detail is likely extraneous to demonstrating regulatory compliance today, voxel models may nevertheless be advantageous in resolving ongoing questions regarding the effects of ionizing radiation on wildlife.

Using simple environmental variables to estimate below-ground productivity in grasslands

USGS Publications Warehouse

Gill, R.A.; Kelly, R.H.; Parton, W.J.; Day, K.A.; Jackson, R.B.; Morgan, J.A.; Scurlock, J.M.O.; Tieszen, L.L.; Castle, J.V.; Ojima, D.S.; Zhang, X.S.

2002-01-01

In many temperate and annual grasslands, above-ground net primary productivity (NPP) can be estimated by measuring peak above-ground biomass. Estimates of below-ground net primary productivity and, consequently, total net primary productivity, are more difficult. We addressed one of the three main objectives of the Global Primary Productivity Data Initiative for grassland systems to develop simple models or algorithms to estimate missing components of total system NPP. Any estimate of below-ground NPP (BNPP) requires an accounting of total root biomass, the percentage of living biomass and annual turnover of live roots. We derived a relationship using above-ground peak biomass and mean annual temperature as predictors of below-ground biomass (r2 = 0.54; P = 0.01). The percentage of live material was 0.6, based on published values. We used three different functions to describe root turnover: constant, a direct function of above-ground biomass, or as a positive exponential relationship with mean annual temperature. We tested the various models against a large database of global grassland NPP and the constant turnover and direct function models were approximately equally descriptive (r2 = 0.31 and 0.37), while the exponential function had a stronger correlation with the measured values (r2 = 0.40) and had a better fit than the other two models at the productive end of the BNPP gradient. When applied to extensive data we assembled from two grassland sites with reliable estimates of total NPP, the direct function was most effective, especially at lower productivity sites. We provide some caveats for its use in systems that lie at the extremes of the grassland gradient and stress that there are large uncertainties associated with measured and modelled estimates of BNPP.

Mixed-up trees: the structure of phylogenetic mixtures.

PubMed

Matsen, Frederick A; Mossel, Elchanan; Steel, Mike

2008-05-01

In this paper, we apply new geometric and combinatorial methods to the study of phylogenetic mixtures. The focus of the geometric approach is to describe the geometry of phylogenetic mixture distributions for the two state random cluster model, which is a generalization of the two state symmetric (CFN) model. In particular, we show that the set of mixture distributions forms a convex polytope and we calculate its dimension; corollaries include a simple criterion for when a mixture of branch lengths on the star tree can mimic the site pattern frequency vector of a resolved quartet tree. Furthermore, by computing volumes of polytopes we can clarify how "common" non-identifiable mixtures are under the CFN model. We also present a new combinatorial result which extends any identifiability result for a specific pair of trees of size six to arbitrary pairs of trees. Next we present a positive result showing identifiability of rates-across-sites models. Finally, we answer a question raised in a previous paper concerning "mixed branch repulsion" on trees larger than quartet trees under the CFN model.

Lateral interactions and non-equilibrium in surface kinetics

NASA Astrophysics Data System (ADS)

Menzel, Dietrich

2016-08-01

Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.

Multimethod, multistate Bayesian hierarchical modeling approach for use in regional monitoring of wolves.

PubMed

Jiménez, José; García, Emilio J; Llaneza, Luis; Palacios, Vicente; González, Luis Mariano; García-Domínguez, Francisco; Múñoz-Igualada, Jaime; López-Bao, José Vicente

2016-08-01

In many cases, the first step in large-carnivore management is to obtain objective, reliable, and cost-effective estimates of population parameters through procedures that are reproducible over time. However, monitoring predators over large areas is difficult, and the data have a high level of uncertainty. We devised a practical multimethod and multistate modeling approach based on Bayesian hierarchical-site-occupancy models that combined multiple survey methods to estimate different population states for use in monitoring large predators at a regional scale. We used wolves (Canis lupus) as our model species and generated reliable estimates of the number of sites with wolf reproduction (presence of pups). We used 2 wolf data sets from Spain (Western Galicia in 2013 and Asturias in 2004) to test the approach. Based on howling surveys, the naïve estimation (i.e., estimate based only on observations) of the number of sites with reproduction was 9 and 25 sites in Western Galicia and Asturias, respectively. Our model showed 33.4 (SD 9.6) and 34.4 (3.9) sites with wolf reproduction, respectively. The number of occupied sites with wolf reproduction was 0.67 (SD 0.19) and 0.76 (0.11), respectively. This approach can be used to design more cost-effective monitoring programs (i.e., to define the sampling effort needed per site). Our approach should inspire well-coordinated surveys across multiple administrative borders and populations and lead to improved decision making for management of large carnivores on a landscape level. The use of this Bayesian framework provides a simple way to visualize the degree of uncertainty around population-parameter estimates and thus provides managers and stakeholders an intuitive approach to interpreting monitoring results. Our approach can be widely applied to large spatial scales in wildlife monitoring where detection probabilities differ between population states and where several methods are being used to estimate different population parameters. © 2016 Society for Conservation Biology.

A simple customized surgical guide for orthodontic miniplates with tube.

PubMed

Paek, Janghyun; Su, Ming-Jeaun; Kwon, Soon-Yong; Kim, Seong-Hun; Chung, Kyu-Rhim; Nelson, Gerald

2012-09-01

This article reports the use of a customized surgical guide for simple and precise C-tube plate placement with minimized incision. Patients who were planning to have orthodontic miniplate treatment because of narrow interradicular space were recruited for this study. A combined silicone and stainless steel wire surgical guide for the C-tube was fabricated on the cast model. The taller wire of the positioning guide is used to accurately start the incision. The incision guide-wire position is verified by placing the miniplate on the coronal horizontal wire to confirm that the incision will coordinate with the screw holes. Because the miniplate is firmly held in place, there is no risk of the miniplate anchoring screws (diameter, 1.5 mm; length, 4 mm) sliding on the bone surface during placement with a manual hand driver. The surgical guide was placed on the clinical site, and it allowed precise placement of the miniplate with minimum incision and preventing from slippage or path-of-insertion angulation errors that might interfere with accurate placement. Customized surgical guide enables precise planning for miniplate positions in anatomically complex sites.

Simple-MSSM: a simple and efficient method for simultaneous multi-site saturation mutagenesis.

PubMed

Cheng, Feng; Xu, Jian-Miao; Xiang, Chao; Liu, Zhi-Qiang; Zhao, Li-Qing; Zheng, Yu-Guo

2017-04-01

To develop a practically simple and robust multi-site saturation mutagenesis (MSSM) method that enables simultaneously recombination of amino acid positions for focused mutant library generation. A general restriction enzyme-free and ligase-free MSSM method (Simple-MSSM) based on prolonged overlap extension PCR (POE-PCR) and Simple Cloning techniques. As a proof of principle of Simple-MSSM, the gene of eGFP (enhanced green fluorescent protein) was used as a template gene for simultaneous mutagenesis of five codons. Forty-eight randomly selected clones were sequenced. Sequencing revealed that all the 48 clones showed at least one mutant codon (mutation efficiency = 100%), and 46 out of the 48 clones had mutations at all the five codons. The obtained diversities at these five codons are 27, 24, 26, 26 and 22, respectively, which correspond to 84, 75, 81, 81, 69% of the theoretical diversity offered by NNK-degeneration (32 codons; NNK, K = T or G). The enzyme-free Simple-MSSM method can simultaneously and efficiently saturate five codons within one day, and therefore avoid missing interactions between residues in interacting amino acid networks.

Theory on the mechanism of site-specific DNA-protein interactions in the presence of traps

NASA Astrophysics Data System (ADS)

Niranjani, G.; Murugan, R.

2016-08-01

The speed of site-specific binding of transcription factor (TFs) proteins with genomic DNA seems to be strongly retarded by the randomly occurring sequence traps. Traps are those DNA sequences sharing significant similarity with the original specific binding sites (SBSs). It is an intriguing question how the naturally occurring TFs and their SBSs are designed to manage the retarding effects of such randomly occurring traps. We develop a simple random walk model on the site-specific binding of TFs with genomic DNA in the presence of sequence traps. Our dynamical model predicts that (a) the retarding effects of traps will be minimum when the traps are arranged around the SBS such that there is a negative correlation between the binding strength of TFs with traps and the distance of traps from the SBS and (b) the retarding effects of sequence traps can be appeased by the condensed conformational state of DNA. Our computational analysis results on the distribution of sequence traps around the putative binding sites of various TFs in mouse and human genome clearly agree well the theoretical predictions. We propose that the distribution of traps can be used as an additional metric to efficiently identify the SBSs of TFs on genomic DNA.

Flood prevention dams for arid regions at a micro-scale sub-catchment, case study: Tabuk, Saudi Arabia.

PubMed

Abushandi, Eyad

2016-12-01

Unexpected flash flooding is one of the periodic hydrological problems affecting the city of Tabuk in Saudi Arabia. The region has high potential for floods as it suffers high rainfall intensity in a short time and also has high urbanization rates and topographic complexity. Constructing flood prevention dams is one option to solve this problem. A cost-effective design requires a detailed feasibility study and analysis for the selection of suitable sites. The aim of this study was to develop a method for selecting a suitable site for flood protection dams in the Abu Saba'a district, the most affected part of the city of Tabuk during the flash flood in January 2013. Spatial analysis was applied using Landsat Thematic Mapper images and Shuttle Radar Topography Mission digital elevation model to select a site in the Abu Saba'a area. A simple model using ArcGIS was built including all suggested parameters. The results showed the best site for a dam was 2 km distance backfrom the area, where all parameter values matched. The results showed that the dynamic properties of land cover can affect site selection. It is therefore suggested that more field and hydrological data should be gathered for greater accuracy.

Dependence of the duration of geomagnetic polarity reversals on site latitude.

PubMed

Clement, Bradford M

2004-04-08

An important constraint on the processes governing the geodynamo--the flow in the outer core responsible for generating Earth's magnetic field--is the duration of geomagnetic polarity reversals; that is, how long it takes for Earth's magnetic field to reverse. It is generally accepted that Earth's magnetic field strength drops to low levels during polarity reversals, and the field direction progresses through a 180 degrees change while the field is weak. The time it takes for this process to happen, however, remains uncertain, with estimates ranging from a few thousand up to 28,000 years. Here I present an analysis of the available sediment records of the four most recent polarity reversals. These records yield an average estimate of about 7,000 years for the time it takes for the directional change to occur. The variation about this mean duration is not random, but instead varies with site latitude, with shorter durations observed at low-latitude sites, and longer durations observed at mid- to high-latitude sites. Such variation of duration with site latitude is predicted by simple geometrical reversal models, in which non-dipole fields are allowed to persist while the axial dipole decays through zero and then builds in the opposite direction, and provides a constraint on numerical dynamo models.

Self-energy functional theory with symmetry breaking for disordered lattice bosons

NASA Astrophysics Data System (ADS)

Hügel, Dario; Strand, Hugo U. R.; Pollet, Lode

2018-07-01

We extend the self-energy functional theory to the case of interacting lattice bosons in the presence of symmetry breaking and quenched disorder. The self-energy functional we derive depends only on the self-energies of the disorder-averaged propagators, allowing for the construction of general non-perturbative approximations. Using a simple single-site reference system with only three variational parameters, we are able to reproduce numerically exact quantum Monte Carlo (QMC) results on local observables of the Bose–Hubbard model with box disorder with high accuracy. At strong interactions, the phase boundaries are reproduced qualitatively but shifted with respect to the ones observed with QMC due to the extremely low condensate fraction in the superfluid phase. Deep in the strongly-disordered weakly-interacting regime, the simple reference system employed is insufficient and no stationary solutions can be found within its restricted variational subspace. By systematically analyzing thermodynamical observables and the spectral function, we find that the strongly interacting Bose glass is characterized by different regimes, depending on which local occupations are activated as a function of the disorder strength. We find that the particles delocalize into isolated superfluid lakes over a strongly localized background around maximally-occupied sites whenever these sites are particularly rare. Our results indicate that the transition from the Bose glass to the superfluid phase around unit filling at strong interactions is driven by the percolation of superfluid lakes which form around doubly occupied sites.

Cost-effectiveness of preoperative nasal mupirocin treatment in preventing surgical site infection in patients undergoing total hip and knee arthroplasty: a cost-effectiveness analysis.

PubMed

Courville, Xan F; Tomek, Ivan M; Kirkland, Kathryn B; Birhle, Marian; Kantor, Stephen R; Finlayson, Samuel R G

2012-02-01

To perform a cost-effectiveness analysis to evaluate preoperative use of mupirocin in patients with total joint arthroplasty (TJA). Simple decision tree model. Outpatient TJA clinical setting. Hypothetical cohort of patients with TJA. A simple decision tree model compared 3 strategies in a hypothetical cohort of patients with TJA: (1) obtaining preoperative screening cultures for all patients, followed by administration of mupirocin to patients with cultures positive for Staphylococcus aureus; (2) providing empirical preoperative treatment with mupirocin for all patients without screening; and (3) providing no preoperative treatment or screening. We assessed the costs and benefits over a 1-year period. Data inputs were obtained from a literature review and from our institution's internal data. Utilities were measured in quality-adjusted life-years, and costs were measured in 2005 US dollars. Incremental cost-effectiveness ratio. The treat-all and screen-and-treat strategies both had lower costs and greater benefits, compared with the no-treatment strategy. Sensitivity analysis revealed that this result is stable even if the cost of mupirocin was over $100 and the cost of SSI ranged between $26,000 and $250,000. Treating all patients remains the best strategy when the prevalence of S. aureus carriers and surgical site infection is varied across plausible values as well as when the prevalence of mupirocin-resistant strains is high. Empirical treatment with mupirocin ointment or use of a screen-and-treat strategy before TJA is performed is a simple, safe, and cost-effective intervention that can reduce the risk of SSI. S. aureus decolonization with nasal mupirocin for patients undergoing TJA should be considered. Level II, economic and decision analysis.

Simple Model of Sickle Hemoglobin

NASA Astrophysics Data System (ADS)

Shiryayev, Andrey; Li, Xiaofei; Gunton, James

2006-03-01

A microscopic model is proposed for the interactions between sickle hemoglobin molecules based on information from the protein data bank. A Monte Carlo simulation of a simplified two patch model is carried out, with the goal of understanding fiber formation. A gradual transition from monomers to one dimensional chains is observed as one varies the density of molecules at fixed temperature, somewhat similar to the transition from monomers to polymer fibers in sickle hemoglobin molecules in solution. An observed competition between chain formation and crystallization for the model is also discussed. The results of the simulation of the equation of state are shown to be in excellent agreement with a theory for a model of globular proteins, for the case of two interacting sites.

Remotely sensed soil moisture input to a hydrologic model

NASA Technical Reports Server (NTRS)

Engman, E. T.; Kustas, W. P.; Wang, J. R.

1989-01-01

The possibility of using detailed spatial soil moisture maps as input to a runoff model was investigated. The water balance of a small drainage basin was simulated using a simple storage model. Aircraft microwave measurements of soil moisture were used to construct two-dimensional maps of the spatial distribution of the soil moisture. Data from overflights on different dates provided the temporal changes resulting from soil drainage and evapotranspiration. The study site and data collection are described, and the soil measurement data are given. The model selection is discussed, and the simulation results are summarized. It is concluded that a time series of soil moisture is a valuable new type of data for verifying model performance and for updating and correcting simulated streamflow.

Identifiability in N-mixture models: a large-scale screening test with bird data.

PubMed

Kéry, Marc

2018-02-01

Binomial N-mixture models have proven very useful in ecology, conservation, and monitoring: they allow estimation and modeling of abundance separately from detection probability using simple counts. Recently, doubts about parameter identifiability have been voiced. I conducted a large-scale screening test with 137 bird data sets from 2,037 sites. I found virtually no identifiability problems for Poisson and zero-inflated Poisson (ZIP) binomial N-mixture models, but negative-binomial (NB) models had problems in 25% of all data sets. The corresponding multinomial N-mixture models had no problems. Parameter estimates under Poisson and ZIP binomial and multinomial N-mixture models were extremely similar. Identifiability problems became a little more frequent with smaller sample sizes (267 and 50 sites), but were unaffected by whether the models did or did not include covariates. Hence, binomial N-mixture model parameters with Poisson and ZIP mixtures typically appeared identifiable. In contrast, NB mixtures were often unidentifiable, which is worrying since these were often selected by Akaike's information criterion. Identifiability of binomial N-mixture models should always be checked. If problems are found, simpler models, integrated models that combine different observation models or the use of external information via informative priors or penalized likelihoods, may help. © 2017 by the Ecological Society of America.

COSP - A computer model of cyclic oxidation

NASA Technical Reports Server (NTRS)

Lowell, Carl E.; Barrett, Charles A.; Palmer, Raymond W.; Auping, Judith V.; Probst, Hubert B.

1991-01-01

A computer model useful in predicting the cyclic oxidation behavior of alloys is presented. The model considers the oxygen uptake due to scale formation during the heating cycle and the loss of oxide due to spalling during the cooling cycle. The balance between scale formation and scale loss is modeled and used to predict weight change and metal loss kinetics. A simple uniform spalling model is compared to a more complex random spall site model. In nearly all cases, the simpler uniform spall model gave predictions as accurate as the more complex model. The model has been applied to several nickel-base alloys which, depending upon composition, form Al2O3 or Cr2O3 during oxidation. The model has been validated by several experimental approaches. Versions of the model that run on a personal computer are available.

Canopy reflectance modelling of semiarid vegetation

NASA Technical Reports Server (NTRS)

Franklin, Janet

1994-01-01

Three different types of remote sensing algorithms for estimating vegetation amount and other land surface biophysical parameters were tested for semiarid environments. These included statistical linear models, the Li-Strahler geometric-optical canopy model, and linear spectral mixture analysis. The two study areas were the National Science Foundation's Jornada Long Term Ecological Research site near Las Cruces, NM, in the northern Chihuahuan desert, and the HAPEX-Sahel site near Niamey, Niger, in West Africa, comprising semiarid rangeland and subtropical crop land. The statistical approach (simple and multiple regression) resulted in high correlations between SPOT satellite spectral reflectance and shrub and grass cover, although these correlations varied with the spatial scale of aggregation of the measurements. The Li-Strahler model produced estimated of shrub size and density for both study sites with large standard errors. In the Jornada, the estimates were accurate enough to be useful for characterizing structural differences among three shrub strata. In Niger, the range of shrub cover and size in short-fallow shrublands is so low that the necessity of spatially distributed estimation of shrub size and density is questionable. Spectral mixture analysis of multiscale, multitemporal, multispectral radiometer data and imagery for Niger showed a positive relationship between fractions of spectral endmembers and surface parameters of interest including soil cover, vegetation cover, and leaf area index.

Quasi-classical expansion of the star-triangle relation and integrable systems on quad-graphs

NASA Astrophysics Data System (ADS)

Bazhanov, Vladimir V.; Kels, Andrew P.; Sergeev, Sergey M.

2016-11-01

In this paper we give an overview of exactly solved edge-interaction models, where the spins are placed on sites of a planar lattice and interact through edges connecting the sites. We only consider the case of a single spin degree of freedom at each site of the lattice. The Yang-Baxter equation for such models takes a particular simple form called the star-triangle relation. Interestigly all known solutions of this relation can be obtained as particular cases of a single ‘master solution’, which is expressed through the elliptic gamma function and have continuous spins taking values on the circle. We show that in the low-temperature (or quasi-classical) limit these lattice models reproduce classical discrete integrable systems on planar graphs previously obtained and classified by Adler, Bobenko and Suris through the consistency-around-a-cube approach. We also discuss inversion relations, the physicical meaning of Baxter’s rapidity-independent parameter in the star-triangle relations and the invariance of the action of the classical systems under the star-triangle (or cube-flip) transformation of the lattice, which is a direct consequence of Baxter’s Z-invariance in the associated lattice models. Dedicated to Professor Rodney Baxter on the occasion of his 75th birthday.

On the successful use of a simplified model to simulate the succession of toxic cyanobacteria in a hypereutrophic reservoir with a highly fluctuating water level.

PubMed

Fadel, Ali; Lemaire, Bruno J; Vinçon-Leite, Brigitte; Atoui, Ali; Slim, Kamal; Tassin, Bruno

2017-09-01

Many freshwater bodies worldwide that suffer from harmful algal blooms would benefit for their management from a simple ecological model that requires few field data, e.g. for early warning systems. Beyond a certain degree, adding processes to ecological models can reduce model predictive capabilities. In this work, we assess whether a simple ecological model without nutrients is able to describe the succession of cyanobacterial blooms of different species in a hypereutrophic reservoir and help understand the factors that determine these blooms. In our study site, Karaoun Reservoir, Lebanon, cyanobacteria Aphanizomenon ovalisporum and Microcystis aeruginosa alternatively bloom. A simple configuration of the model DYRESM-CAEDYM was used; both cyanobacteria were simulated, with constant vertical migration velocity for A. ovalisporum, with vertical migration velocity dependent on light for M. aeruginosa and with growth limited by light and temperature and not by nutrients for both species. The model was calibrated on two successive years with contrasted bloom patterns and high variations in water level. It was able to reproduce the measurements; it showed a good performance for the water level (root-mean-square error (RMSE) lower than 1 m, annual variation of 25 m), water temperature profiles (RMSE of 0.22-1.41 °C, range 13-28 °C) and cyanobacteria biomass (RMSE of 1-57 μg Chl a L -1 , range 0-206 μg Chl a L -1 ). The model also helped understand the succession of blooms in both years. The model results suggest that the higher growth rate of M. aeruginosa during favourable temperature and light conditions allowed it to outgrow A. ovalisporum. Our results show that simple model configurations can be sufficient not only for theoretical works when few major processes can be identified but also for operational applications. This approach could be transposed on other hypereutrophic lakes and reservoirs to describe the competition between dominant phytoplankton species, contribute to early warning systems or be used for management scenarios.

A mechanistic stress model of protein evolution accounts for site-specific evolutionary rates and their relationship with packing density and flexibility

PubMed Central

2014-01-01

Background Protein sites evolve at different rates due to functional and biophysical constraints. It is usually considered that the main structural determinant of a site’s rate of evolution is its Relative Solvent Accessibility (RSA). However, a recent comparative study has shown that the main structural determinant is the site’s Local Packing Density (LPD). LPD is related with dynamical flexibility, which has also been shown to correlate with sequence variability. Our purpose is to investigate the mechanism that connects a site’s LPD with its rate of evolution. Results We consider two models: an empirical Flexibility Model and a mechanistic Stress Model. The Flexibility Model postulates a linear increase of site-specific rate of evolution with dynamical flexibility. The Stress Model, introduced here, models mutations as random perturbations of the protein’s potential energy landscape, for which we use simple Elastic Network Models (ENMs). To account for natural selection we assume a single active conformation and use basic statistical physics to derive a linear relationship between site-specific evolutionary rates and the local stress of the mutant’s active conformation. We compare both models on a large and diverse dataset of enzymes. In a protein-by-protein study we found that the Stress Model outperforms the Flexibility Model for most proteins. Pooling all proteins together we show that the Stress Model is strongly supported by the total weight of evidence. Moreover, it accounts for the observed nonlinear dependence of sequence variability on flexibility. Finally, when mutational stress is controlled for, there is very little remaining correlation between sequence variability and dynamical flexibility. Conclusions We developed a mechanistic Stress Model of evolution according to which the rate of evolution of a site is predicted to depend linearly on the local mutational stress of the active conformation. Such local stress is proportional to LPD, so that this model explains the relationship between LPD and evolutionary rate. Moreover, the model also accounts for the nonlinear dependence between evolutionary rate and dynamical flexibility. PMID:24716445

Mars-GRAM Applications for Mars Science Laboratory Mission Site Selection Processes

NASA Technical Reports Server (NTRS)

Justh, Hilary; Justus, C. G.

2007-01-01

An overview is presented of the Mars-Global Reference Atmospheric Model (Mars-GRAM 2005) and its new features. One important new feature is the "auxiliary profile" option, whereby a simple input file is used to replace mean atmospheric values from Mars-GRAM's conventional (General Circulation Model) climatology. An auxiliary profile can be generated from any source of data or alternate model output. Results are presented using auxiliary profiles produced from mesoscale model output (Southwest Research Institute's Mars Regional Atmospheric Modeling System (MRAMS) model and Oregon State University's Mars mesoscale model (MMM5) model) for three candidate Mars Science Laboratory (MSL) landing sites (Terby Crater, Melas Chasma, and Gale Crater). A global Thermal Emission Spectrometer (TES) database has also been generated for purposes of making 'Mars-GRAM auxiliary profiles. This data base contains averages and standard deviations of temperature, density, and thermal wind components, averaged over 5-by-5 degree latitude bins and 15 degree L(sub S) bins, for each of three Mars years of TES nadir data. Comparisons show reasonably good consistency between Mars-GRAM with low dust optical depth and both TES observed and mesoscale model simulated density at the three study sites. Mean winds differ by a more significant degree. Comparisons of mesoscale and TES standard deviations' with conventional Mars-GRAM values, show that Mars-GRAM density perturbations are somewhat conservative (larger than observed variability), while mesoscale-modeled wind variations are larger than Mars-GRAM model estimates. Input parameters rpscale (for density perturbations) and rwscale (for wind perturbations) can be used to "recalibrate" Mars-GRAM perturbation magnitudes to better replicate observed or mesoscale model variability.

Assessing the fit of site-occupancy models

USGS Publications Warehouse

MacKenzie, D.I.; Bailey, L.L.

2004-01-01

Few species are likely to be so evident that they will always be detected at a site when present. Recently a model has been developed that enables estimation of the proportion of area occupied, when the target species is not detected with certainty. Here we apply this modeling approach to data collected on terrestrial salamanders in the Plethodon glutinosus complex in the Great Smoky Mountains National Park, USA, and wish to address the question 'how accurately does the fitted model represent the data?' The goodness-of-fit of the model needs to be assessed in order to make accurate inferences. This article presents a method where a simple Pearson chi-square statistic is calculated and a parametric bootstrap procedure is used to determine whether the observed statistic is unusually large. We found evidence that the most global model considered provides a poor fit to the data, hence estimated an overdispersion factor to adjust model selection procedures and inflate standard errors. Two hypothetical datasets with known assumption violations are also analyzed, illustrating that the method may be used to guide researchers to making appropriate inferences. The results of a simulation study are presented to provide a broader view of the methods properties.

LCGTO-Xα model cluster study for the chemisorption of CO on twofold sites of Ni surfaces

NASA Astrophysics Data System (ADS)

Jörg, H.; Rösch, N.

The cluster Ni 2CO is studied as a simplified model for the chemisorption of CO on twofold bridging sites of transition metal surfaces. Using the LCGTO-Xα method we have calculated the potential energy surface for the totally symmetric stretching motion keeping the Ni-Ni distance fixed at the bulk value. The minimum energy is found at a Ni-C distance of 1.72 Å and a C-O bond length of 1.19 Å. The vibrational frequency for the CO bond (1850 cm -1) shows reasonable agreement with EELS data (1810, 1870 cm -1), whereas the (Ni 2)-C frequency of 495 cm -1 is remarkably higher than the experimental values (380, 400 cm -1) indicating an overestimation of the chemisorption bond strength in this simple cluster model. The bonding between CO and Ni is analyzed using orbital correlations, ionization energies and Mulliken population analysis. Important bonding contributions from π backdonation are identified while the a 1 orbital manifold exhibits strong antibonding effects.

LCGTO-Xα model cluster study for the chemisorption of CO on twofold sites of Ni surfaces

NASA Astrophysics Data System (ADS)

Jörg, H.; Rösch, N.

1985-11-01

The cluster Ni 2CO is studied as a simplified model for the chemisorption of CO on twofold bridging sites of transition metal surfaces. Using the LCGTO-Xα method we have calculated the potential energy surface for the totally symmetric stretching motion keeping the NiNi distance fixed at the bulk value. The minimum energy is found at a NiC distance of 1.72 Å and a CO bond length of 1.19 Å. The vibrational frequency for the CO bond (1850 cm -1) shows reasonable agreement with EELS data (1810, 1870 cm -1), whereas the (Ni 2)C frequency of 495 cm -1 is remarkably higher than the experimental values (380, 400 cm -1) indicating an overestimation of the chemisorption bond strength in this simple cluster model. The bonding between CO and Ni is analyzed using orbital correlations, ionization energies and Mulliken population analysis. Important bonding contributions from π backdonation are identified while the a 1orbital manifold exhibits strong antibonding effects.

Quantifying the impacts of land use change on soil organic carbon losses in tropical peatlands

NASA Astrophysics Data System (ADS)

Farmer, J.; Smith, J.; Smith, P.; Matthews, R.

2012-04-01

The challenge of collecting field measurements of soil carbon dioxide (CO2) efflux and soil carbon (C) in tropical peatlands creates an opportunity for the use of SOC models for predicting local and regional impacts of land use and climate change on these soils, offering a way of translating this limited data into tangible results. Previously, no soil C model existed for use in non-steady state sites such as those found on tropical peats- in particular peat swamp forests which accumulate C, and oil palm plantations which are grown for 20-25 years between re-plantings. A simple, user friendly model has been created for use by scientists, policy makers and plantation managers. This model uses only limited inputs to predict the changes to soil C from land use and climate change. The model runs on the assumption that plant inputs can be related to yield, and that this can be used to derive the decomposition of SOM. It uses a simple decomposition response to determine the changes to the soil C. The model can run in a basic form if data is very limited, or a more complex form with modifiers for temperature, pH, salinity and soil moisture if this data is available. Using measured CO2 efflux and soil C values from peat cores, combined with literature values, we demonstrate the efficacy of the model, showing how we have identified and addressed some of the issues related to modelling soil C losses from tropical peat soils under land use change. Key challenges addressed included quantifying the effects of drainage when peat swamp forests are converted to oil palm plantations, and comparing field results between sites because in oil palm plantations the original soil conditions prior to conversion from peat swamp forest were largely unknown.

5D Modelling: An Efficient Approach for Creating Spatiotemporal Predictive 3D Maps of Large-Scale Cultural Resources

NASA Astrophysics Data System (ADS)

Doulamis, A.; Doulamis, N.; Ioannidis, C.; Chrysouli, C.; Grammalidis, N.; Dimitropoulos, K.; Potsiou, C.; Stathopoulou, E.-K.; Ioannides, M.

2015-08-01

Outdoor large-scale cultural sites are mostly sensitive to environmental, natural and human made factors, implying an imminent need for a spatio-temporal assessment to identify regions of potential cultural interest (material degradation, structuring, conservation). On the other hand, in Cultural Heritage research quite different actors are involved (archaeologists, curators, conservators, simple users) each of diverse needs. All these statements advocate that a 5D modelling (3D geometry plus time plus levels of details) is ideally required for preservation and assessment of outdoor large scale cultural sites, which is currently implemented as a simple aggregation of 3D digital models at different time and levels of details. The main bottleneck of such an approach is its complexity, making 5D modelling impossible to be validated in real life conditions. In this paper, a cost effective and affordable framework for 5D modelling is proposed based on a spatial-temporal dependent aggregation of 3D digital models, by incorporating a predictive assessment procedure to indicate which regions (surfaces) of an object should be reconstructed at higher levels of details at next time instances and which at lower ones. In this way, dynamic change history maps are created, indicating spatial probabilities of regions needed further 3D modelling at forthcoming instances. Using these maps, predictive assessment can be made, that is, to localize surfaces within the objects where a high accuracy reconstruction process needs to be activated at the forthcoming time instances. The proposed 5D Digital Cultural Heritage Model (5D-DCHM) is implemented using open interoperable standards based on the CityGML framework, which also allows the description of additional semantic metadata information. Visualization aspects are also supported to allow easy manipulation, interaction and representation of the 5D-DCHM geometry and the respective semantic information. The open source 3DCityDB incorporating a PostgreSQL geo-database is used to manage and manipulate 3D data and their semantics.

A simple linear model for estimating ozone AOT40 at forest sites from raw passive sampling data.

PubMed

Ferretti, Marco; Cristofolini, Fabiana; Cristofori, Antonella; Gerosa, Giacomo; Gottardini, Elena

2012-08-01

A rapid, empirical method is described for estimating weekly AOT40 from ozone concentrations measured with passive samplers at forest sites. The method is based on linear regression and was developed after three years of measurements in Trentino (northern Italy). It was tested against an independent set of data from passive sampler sites across Italy. It provides good weekly estimates compared with those measured by conventional monitors (0.85 ≤R(2)≤ 0.970; 97 ≤ RMSE ≤ 302). Estimates obtained using passive sampling at forest sites are comparable to those obtained by another estimation method based on modelling hourly concentrations (R(2) = 0.94; 131 ≤ RMSE ≤ 351). Regression coefficients of passive sampling are similar to those obtained with conventional monitors at forest sites. Testing against an independent dataset generated by passive sampling provided similar results (0.86 ≤R(2)≤ 0.99; 65 ≤ RMSE ≤ 478). Errors tend to accumulate when weekly AOT40 estimates are summed to obtain the total AOT40 over the May-July period, and the median deviation between the two estimation methods based on passive sampling is 11%. The method proposed does not require any assumptions, complex calculation or modelling technique, and can be useful when other estimation methods are not feasible, either in principle or in practice. However, the method is not useful when estimates of hourly concentrations are of interest.

Modeling of earthquake ground motion in the frequency domain

NASA Astrophysics Data System (ADS)

Thrainsson, Hjortur

In recent years, the utilization of time histories of earthquake ground motion has grown considerably in the design and analysis of civil structures. It is very unlikely, however, that recordings of earthquake ground motion will be available for all sites and conditions of interest. Hence, there is a need for efficient methods for the simulation and spatial interpolation of earthquake ground motion. In addition to providing estimates of the ground motion at a site using data from adjacent recording stations, spatially interpolated ground motions can also be used in design and analysis of long-span structures, such as bridges and pipelines, where differential movement is important. The objective of this research is to develop a methodology for rapid generation of horizontal earthquake ground motion at any site for a given region, based on readily available source, path and site characteristics, or (sparse) recordings. The research includes two main topics: (i) the simulation of earthquake ground motion at a given site, and (ii) the spatial interpolation of earthquake ground motion. In topic (i), models are developed to simulate acceleration time histories using the inverse discrete Fourier transform. The Fourier phase differences, defined as the difference in phase angle between adjacent frequency components, are simulated conditional on the Fourier amplitude. Uniformly processed recordings from recent California earthquakes are used to validate the simulation models, as well as to develop prediction formulas for the model parameters. The models developed in this research provide rapid simulation of earthquake ground motion over a wide range of magnitudes and distances, but they are not intended to replace more robust geophysical models. In topic (ii), a model is developed in which Fourier amplitudes and Fourier phase angles are interpolated separately. A simple dispersion relationship is included in the phase angle interpolation. The accuracy of the interpolation model is assessed using data from the SMART-1 array in Taiwan. The interpolation model provides an effective method to estimate ground motion at a site using recordings from stations located up to several kilometers away. Reliable estimates of differential ground motion are restricted to relatively limited ranges of frequencies and inter-station spacings.

Convection, diffusion and reaction in a surface-based biosensor: modeling of cooperativity and binding site competition on the surface and in the hydrogel.

PubMed

Lebedev, Konstantin; Mafé, Salvador; Stroeve, Pieter

2006-04-15

We study theoretically the transport and kinetic processes underlying the operation of a biosensor (particularly the surface plasmon sensor "Biacore") used to study the surface binding kinetics of biomolecules in solution to immobilized receptors. Unlike previous studies, we concentrate mainly on the modeling of system-specific phenomena rather than on the influence of mass transport limitations on the intrinsic kinetic rate constants determined from binding data. In the first problem, the case of two-site binding where each receptor unit on the surface can accommodate two analyte molecules on two different sites is considered. One analyte molecule always binds first to a specific site. Subsequently, the second analyte molecule can bind to the adjacent unoccupied site. In the second problem, two different analytes compete for one binding site on the same surface receptor. Finally, the third problem considers the case of positive cooperativity among bound molecules in the hydrogel using a simple mean-field approach. The transport in both the flow channel and the hydrogel phases of the biosensor is taken into account in this case (with few exceptions, most previous studies assume a simpler model in which the hydrogel is treated as a planar surface with the receptors). We consider simultaneously diffusion and convection through the flow channel together with diffusion and cooperativity binding on the surface and in the hydrogel. In each case, typical results for the concentration contours of the free and bound molecules in the flow channel and hydrogel regions are presented together with the time-dependent association/dissociation curves and reaction rates. For binding site competition, the analysis predicts overshoot phenomena.

Osteogenic Activity of Locally Applied Small Molecule Drugs in a Rat Femur Defect Model

PubMed Central

Cottrell, Jessica A.; Vales, Francis M.; Schachter, Deborah; Wadsworth, Scott; Gundlapalli, Rama; Kapadia, Rasesh; O'Connor, J. Patrick

2010-01-01

The long-term success of arthroplastic joints is dependent on the stabilization of the implant within the skeletal site. Movement of the arthroplastic implant within the bone can stimulate osteolysis, and therefore methods which promote rigid fixation or bone growth are expected to enhance implant stability and the long-term success of joint arthroplasty. In the present study, we used a simple bilateral bone defect model to analyze the osteogenic activity of three small-molecule drug implants via microcomputerized tomography (micro-CT) and histomorphometry. In this study, we show that local delivery of alendronate, but not lovastatin or omeprazole, led to significant new bone formation at the defect site. Since alendronate impedes osteoclast-development, it is theorized that alendronate treatment results in a net increase in bone formation by preventing osteoclast mediated remodeling of the newly formed bone and upregulating osteoblasts. PMID:20625499

Optimized mixed Markov models for motif identification

PubMed Central

Huang, Weichun; Umbach, David M; Ohler, Uwe; Li, Leping

2006-01-01

Background Identifying functional elements, such as transcriptional factor binding sites, is a fundamental step in reconstructing gene regulatory networks and remains a challenging issue, largely due to limited availability of training samples. Results We introduce a novel and flexible model, the Optimized Mixture Markov model (OMiMa), and related methods to allow adjustment of model complexity for different motifs. In comparison with other leading methods, OMiMa can incorporate more than the NNSplice's pairwise dependencies; OMiMa avoids model over-fitting better than the Permuted Variable Length Markov Model (PVLMM); and OMiMa requires smaller training samples than the Maximum Entropy Model (MEM). Testing on both simulated and actual data (regulatory cis-elements and splice sites), we found OMiMa's performance superior to the other leading methods in terms of prediction accuracy, required size of training data or computational time. Our OMiMa system, to our knowledge, is the only motif finding tool that incorporates automatic selection of the best model. OMiMa is freely available at [1]. Conclusion Our optimized mixture of Markov models represents an alternative to the existing methods for modeling dependent structures within a biological motif. Our model is conceptually simple and effective, and can improve prediction accuracy and/or computational speed over other leading methods. PMID:16749929

Inference for finite-sample trajectories in dynamic multi-state site-occupancy models using hidden Markov model smoothing

USGS Publications Warehouse

Fiske, Ian J.; Royle, J. Andrew; Gross, Kevin

2014-01-01

Ecologists and wildlife biologists increasingly use latent variable models to study patterns of species occurrence when detection is imperfect. These models have recently been generalized to accommodate both a more expansive description of state than simple presence or absence, and Markovian dynamics in the latent state over successive sampling seasons. In this paper, we write these multi-season, multi-state models as hidden Markov models to find both maximum likelihood estimates of model parameters and finite-sample estimators of the trajectory of the latent state over time. These estimators are especially useful for characterizing population trends in species of conservation concern. We also develop parametric bootstrap procedures that allow formal inference about latent trend. We examine model behavior through simulation, and we apply the model to data from the North American Amphibian Monitoring Program.

Using observed load distributions with a simple model to analyse the epidemiology of sea lice (Lepeophtheirus salmonis) on sea trout (Salmo trutta).

PubMed

Murray, Alexander G

2002-06-01

Sea lice are ectoparasites of salmonids that have been associated with the recent decline in sea trout numbers in north-west Europe. Observed patterns of louse load distribution between sea trout in the seas surrounding the UK, Ireland and Norway and a simple model have been used to analyse the epidemiology of lice. Loads are aggregated and deviate strongly from the Poisson distribution, although less than is observed with many other parasites. The louse numbers on fish from offshore sites are slightly less variable than for fish from coastal sites with comparable mean loads. Analysis of louse development stages and sexes shows that selection between hosts by sea lice plays a limited role. If host selection is absent, then associated poor condition would be caused by, not the cause of, high louse burdens; however the absence of such selection is not proved. Scenarios with infection that is patchy in space and time best generate the aggregated load patterns observed; these patches accord with observed swarms of copepodids. Prevalence patterns may indicate the movement of trout between environments. Control of copepodids in infection 'hot spots', either directly or through control of louse egg production in their catchment, may reduce louse loads on wild sea trout and, in particular, extreme and damaging loads.

A real-frequency solver for the Anderson impurity model based on bath optimization and cluster perturbation theory

NASA Astrophysics Data System (ADS)

Zingl, Manuel; Nuss, Martin; Bauernfeind, Daniel; Aichhorn, Markus

2018-05-01

Recently solvers for the Anderson impurity model (AIM) working directly on the real-frequency axis have gained much interest. A simple and yet frequently used impurity solver is exact diagonalization (ED), which is based on a discretization of the AIM bath degrees of freedom. Usually, the bath parameters cannot be obtained directly on the real-frequency axis, but have to be determined by a fit procedure on the Matsubara axis. In this work we present an approach where the bath degrees of freedom are first discretized directly on the real-frequency axis using a large number of bath sites (≈ 50). Then, the bath is optimized by unitary transformations such that it separates into two parts that are weakly coupled. One part contains the impurity site and its interacting Green's functions can be determined with ED. The other (larger) part is a non-interacting system containing all the remaining bath sites. Finally, the Green's function of the full AIM is calculated via coupling these two parts with cluster perturbation theory.

Ribosomal DNA replication fork barrier and HOT1 recombination hot spot: shared sequences but independent activities.

PubMed

Ward, T R; Hoang, M L; Prusty, R; Lau, C K; Keil, R L; Fangman, W L; Brewer, B J

2000-07-01

In the ribosomal DNA of Saccharomyces cerevisiae, sequences in the nontranscribed spacer 3' of the 35S ribosomal RNA gene are important to the polar arrest of replication forks at a site called the replication fork barrier (RFB) and also to the cis-acting, mitotic hyperrecombination site called HOT1. We have found that the RFB and HOT1 activity share some but not all of their essential sequences. Many of the mutations that reduce HOT1 recombination also decrease or eliminate fork arrest at one of two closely spaced RFB sites, RFB1 and RFB2. A simple model for the juxtaposition of RFB and HOT1 sequences is that the breakage of strands in replication forks arrested at RFB stimulates recombination. Contrary to this model, we show here that HOT1-stimulated recombination does not require the arrest of forks at the RFB. Therefore, while HOT1 activity is independent of replication fork arrest, HOT1 and RFB require some common sequences, suggesting the existence of a common trans-acting factor(s).

The structure of tropical forests and sphere packings

PubMed Central

Jahn, Markus Wilhelm; Dobner, Hans-Jürgen; Wiegand, Thorsten; Huth, Andreas

2015-01-01

The search for simple principles underlying the complex architecture of ecological communities such as forests still challenges ecological theorists. We use tree diameter distributions—fundamental for deriving other forest attributes—to describe the structure of tropical forests. Here we argue that tree diameter distributions of natural tropical forests can be explained by stochastic packing of tree crowns representing a forest crown packing system: a method usually used in physics or chemistry. We demonstrate that tree diameter distributions emerge accurately from a surprisingly simple set of principles that include site-specific tree allometries, random placement of trees, competition for space, and mortality. The simple static model also successfully predicted the canopy structure, revealing that most trees in our two studied forests grow up to 30–50 m in height and that the highest packing density of about 60% is reached between the 25- and 40-m height layer. Our approach is an important step toward identifying a minimal set of processes responsible for generating the spatial structure of tropical forests. PMID:26598678

Segmentation by fusion of histogram-based k-means clusters in different color spaces.

PubMed

Mignotte, Max

2008-05-01

This paper presents a new, simple, and efficient segmentation approach, based on a fusion procedure which aims at combining several segmentation maps associated to simpler partition models in order to finally get a more reliable and accurate segmentation result. The different label fields to be fused in our application are given by the same and simple (K-means based) clustering technique on an input image expressed in different color spaces. Our fusion strategy aims at combining these segmentation maps with a final clustering procedure using as input features, the local histogram of the class labels, previously estimated and associated to each site and for all these initial partitions. This fusion framework remains simple to implement, fast, general enough to be applied to various computer vision applications (e.g., motion detection and segmentation), and has been successfully applied on the Berkeley image database. The experiments herein reported in this paper illustrate the potential of this approach compared to the state-of-the-art segmentation methods recently proposed in the literature.

Tracing long-term vadose zone processes at the Nevada Test Site, USA

PubMed Central

Hunt, James R.; Tompson, Andrew F. B.

2010-01-01

The nuclear weapons testing programme of the USA has released radionuclides to the subsurface at the Nevada Test Site. One of these tests has been used to study the hydrological transport of radionuclides for over 25 years in groundwater and the deep unsaturated zone. Ten years after the weapon’s test, a 16 year groundwater pumping experiment was initiated to study the mobility of radionuclides from that test in an alluvial aquifer. The continuously pumped groundwater was released into an unlined ditch where some of the water infiltrated into the 200 m deep vadose zone. The pumped groundwater had well-characterized tritium activities that were utilized to trace water migration in the shallow and deep vadose zones. Within the near-surface vadose zone, tritium levels in the soil water are modelled by a simple one-dimensional, analytical wetting front model. In the case of the near-surface soils at the Cambric Ditch experimental site, water flow and salt accumulation appear to be dominated by rooted vegetation, a mechanism not included within the wetting front model. Simulation results from a two-dimensional vadose groundwater flow model illustrate the dominance of vertical flow in the vadose zone and the recharge of the aquifer with the pumped groundwater. The long-time series of hydrological data provides opportunities to understand contaminant transport processes better in the vadose zone with an appropriate level of modelling. PMID:21785525

Where to Dig for Fossils: Combining Climate-Envelope, Taphonomy and Discovery Models

PubMed Central

Block, Sebastián; Saltré, Frédérik; Rodríguez-Rey, Marta; Fordham, Damien A.; Unkel, Ingmar; Bradshaw, Corey J. A.

2016-01-01

Fossils represent invaluable data to reconstruct the past history of life, yet fossil-rich sites are often rare and difficult to find. The traditional fossil-hunting approach focuses on small areas and has not yet taken advantage of modelling techniques commonly used in ecology to account for an organism’s past distributions. We propose a new method to assist finding fossils at continental scales based on modelling the past distribution of species, the geological suitability of fossil preservation and the likelihood of fossil discovery in the field, and apply it to several genera of Australian megafauna that went extinct in the Late Quaternary. Our models predicted higher fossil potentials for independent sites than for randomly selected locations (mean Kolmogorov-Smirnov statistic = 0.66). We demonstrate the utility of accounting for the distribution history of fossil taxa when trying to find the most suitable areas to look for fossils. For some genera, the probability of finding fossils based on simple climate-envelope models was higher than the probability based on models incorporating current conditions associated with fossil preservation and discovery as predictors. However, combining the outputs from climate-envelope, preservation, and discovery models resulted in the most accurate predictions of potential fossil sites at a continental scale. We proposed potential areas to discover new fossils of Diprotodon, Zygomaturus, Protemnodon, Thylacoleo, and Genyornis, and provide guidelines on how to apply our approach to assist fossil hunting in other continents and geological settings. PMID:27027874

Where to Dig for Fossils: Combining Climate-Envelope, Taphonomy and Discovery Models.

PubMed

Block, Sebastián; Saltré, Frédérik; Rodríguez-Rey, Marta; Fordham, Damien A; Unkel, Ingmar; Bradshaw, Corey J A

2016-01-01

Fossils represent invaluable data to reconstruct the past history of life, yet fossil-rich sites are often rare and difficult to find. The traditional fossil-hunting approach focuses on small areas and has not yet taken advantage of modelling techniques commonly used in ecology to account for an organism's past distributions. We propose a new method to assist finding fossils at continental scales based on modelling the past distribution of species, the geological suitability of fossil preservation and the likelihood of fossil discovery in the field, and apply it to several genera of Australian megafauna that went extinct in the Late Quaternary. Our models predicted higher fossil potentials for independent sites than for randomly selected locations (mean Kolmogorov-Smirnov statistic = 0.66). We demonstrate the utility of accounting for the distribution history of fossil taxa when trying to find the most suitable areas to look for fossils. For some genera, the probability of finding fossils based on simple climate-envelope models was higher than the probability based on models incorporating current conditions associated with fossil preservation and discovery as predictors. However, combining the outputs from climate-envelope, preservation, and discovery models resulted in the most accurate predictions of potential fossil sites at a continental scale. We proposed potential areas to discover new fossils of Diprotodon, Zygomaturus, Protemnodon, Thylacoleo, and Genyornis, and provide guidelines on how to apply our approach to assist fossil hunting in other continents and geological settings.

VITAL NMR: Using Chemical Shift Derived Secondary Structure Information for a Limited Set of Amino Acids to Assess Homology Model Accuracy

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

Brothers, Michael C; Nesbitt, Anna E; Hallock, Michael J

2011-01-01

Homology modeling is a powerful tool for predicting protein structures, whose success depends on obtaining a reasonable alignment between a given structural template and the protein sequence being analyzed. In order to leverage greater predictive power for proteins with few structural templates, we have developed a method to rank homology models based upon their compliance to secondary structure derived from experimental solid-state NMR (SSNMR) data. Such data is obtainable in a rapid manner by simple SSNMR experiments (e.g., (13)C-(13)C 2D correlation spectra). To test our homology model scoring procedure for various amino acid labeling schemes, we generated a library ofmore » 7,474 homology models for 22 protein targets culled from the TALOS+/SPARTA+ training set of protein structures. Using subsets of amino acids that are plausibly assigned by SSNMR, we discovered that pairs of the residues Val, Ile, Thr, Ala and Leu (VITAL) emulate an ideal dataset where all residues are site specifically assigned. Scoring the models with a predicted VITAL site-specific dataset and calculating secondary structure with the Chemical Shift Index resulted in a Pearson correlation coefficient (-0.75) commensurate to the control (-0.77), where secondary structure was scored site specifically for all amino acids (ALL 20) using STRIDE. This method promises to accelerate structure procurement by SSNMR for proteins with unknown folds through guiding the selection of remotely homologous protein templates and assessing model quality.« less

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

Newton, Marshall D.

Extension of the Förster analogue for the ET rate constant (based on virtual intermediate electron detachment or attachment states) with inclusion of site–site correlation due to coulomb terms associated with solvent reorganization energy and the driving force, has been developed and illustrated for a simple three-state, two-mode model. Furthermore, the model is applicable to charge separation (CS), recombination (CR), and shift (CSh) ET processes, with or without an intervening bridge. The model provides a unified perspective on the role of virtual intermediate states in accounting for the thermal Franck–Condon weighted density of states (FCWD), the gaps controlling superexchange coupling, andmore » mean absolute redox potentials, with full accommodation of site–site coulomb interactions. We analyzed two types of correlation: aside from the site–site correlation due to coulomb interactions, we have emphasized the intrinsic “nonorthogonality” which generally pertains to reaction coordinates (RCs) for different ET processes involving multiple electronic states, as may be expressed by suitably defined direction cosines (cos(θ)). A pair of RCs may be nonorthogonal even when the site–site coulomb correlations are absent. While different RCs are linearly independent in the mathematical sense for all θ ≠ 0°, they are independent in the sense of being “uncorrelated” only in the limit of orthogonality (θ = 90°). There is application to more than two coordinates is straightforward and may include both discrete and continuum contributions.« less

Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system.

PubMed

Riniker, Sereina; van Gunsteren, Wilfred F

2012-07-28

The use of a supra-molecular coarse-grained (CG) model for liquid water as solvent in molecular dynamics simulations of biomolecules represented at the fine-grained (FG) atomic level of modelling may reduce the computational effort by one or two orders of magnitude. However, even if the pure FG model and the pure CG model represent the properties of the particular substance of interest rather well, their application in a hybrid FG/CG system containing varying ratios of FG versus CG particles is highly non-trivial, because it requires an appropriate balance between FG-FG, FG-CG, and CG-CG energies, and FG and CG entropies. Here, the properties of liquid water are used to calibrate the FG-CG interactions for the simple-point-charge water model at the FG level and a recently proposed supra-molecular water model at the CG level that represents five water molecules by one CG bead containing two interaction sites. Only two parameters are needed to reproduce different thermodynamic and dielectric properties of liquid water at physiological temperature and pressure for various mole fractions of CG water in FG water. The parametrisation strategy for the FG-CG interactions is simple and can be easily transferred to interactions between atomistic biomolecules and CG water.

Analyzing inflammatory response as excitable media

NASA Astrophysics Data System (ADS)

Yde, Pernille; Høgh Jensen, Mogens; Trusina, Ala

2011-11-01

The regulatory system of the transcription factor NF-κB plays a great role in many cell functions, including inflammatory response. Interestingly, the NF-κB system is known to up-regulate production of its own triggering signal—namely, inflammatory cytokines such as TNF, IL-1, and IL-6. In this paper we investigate a previously presented model of the NF-κB, which includes both spatial effects and the positive feedback from cytokines. The model exhibits the properties of an excitable medium and has the ability to propagate waves of high cytokine concentration. These waves represent an optimal way of sending an inflammatory signal through the tissue as they create a chemotactic signal able to recruit neutrophils to the site of infection. The simple model displays three qualitatively different states; low stimuli leads to no or very little response. Intermediate stimuli leads to reoccurring waves of high cytokine concentration. Finally, high stimuli leads to a sustained high cytokine concentration, a scenario which is toxic for the tissue cells and corresponds to chronic inflammation. Due to the few variables of the simple model, we are able to perform a phase-space analysis leading to a detailed understanding of the functional form of the model and its limitations. The spatial effects of the model contribute to the robustness of the cytokine wave formation and propagation.

Simulation Experiment on Landing Site Selection Using a Simple Geometric Approach

NASA Astrophysics Data System (ADS)

Zhao, W.; Tong, X.; Xie, H.; Jin, Y.; Liu, S.; Wu, D.; Liu, X.; Guo, L.; Zhou, Q.

2017-07-01

Safe landing is an important part of the planetary exploration mission. Even fine scale terrain hazards (such as rocks, small craters, steep slopes, which would not be accurately detected from orbital reconnaissance) could also pose a serious risk on planetary lander or rover and scientific instruments on-board it. In this paper, a simple geometric approach on planetary landing hazard detection and safe landing site selection is proposed. In order to achieve full implementation of this algorithm, two easy-to-compute metrics are presented for extracting the terrain slope and roughness information. Unlike conventional methods which must do the robust plane fitting and elevation interpolation for DEM generation, in this work, hazards is identified through the processing directly on LiDAR point cloud. For safe landing site selection, a Generalized Voronoi Diagram is constructed. Based on the idea of maximum empty circle, the safest landing site can be determined. In this algorithm, hazards are treated as general polygons, without special simplification (e.g. regarding hazards as discrete circles or ellipses). So using the aforementioned method to process hazards is more conforming to the real planetary exploration scenario. For validating the approach mentioned above, a simulated planetary terrain model was constructed using volcanic ash with rocks in indoor environment. A commercial laser scanner mounted on a rail was used to scan the terrain surface at different hanging positions. The results demonstrate that fairly hazard detection capability and reasonable site selection was obtained compared with conventional method, yet less computational time and less memory usage was consumed. Hence, it is a feasible candidate approach for future precision landing selection on planetary surface.

Kinetic analysis of the effects of target structure on siRNA efficiency

NASA Astrophysics Data System (ADS)

Chen, Jiawen; Zhang, Wenbing

2012-12-01

RNAi efficiency for target cleavage and protein expression is related to the target structure. Considering the RNA-induced silencing complex (RISC) as a multiple turnover enzyme, we investigated the effect of target mRNA structure on siRNA efficiency with kinetic analysis. The 4-step model was used to study the target cleavage kinetic process: hybridization nucleation at an accessible target site, RISC-mRNA hybrid elongation along with mRNA target structure melting, target cleavage, and enzyme reactivation. At this model, the terms accounting for the target accessibility, stability, and the seed and the nucleation site effects are all included. The results are in good agreement with that of experiments which show different arguments about the structure effects on siRNA efficiency. It shows that the siRNA efficiency is influenced by the integrated factors of target's accessibility, stability, and the seed effects. To study the off-target effects, a simple model of one siRNA binding to two mRNA targets was designed. By using this model, the possibility for diminishing the off-target effects by the concentration of siRNA was discussed.

Assessment of Photodynamic Inactivation against Periodontal Bacteria Mediated by a Chitosan Hydrogel in a 3D Gingival Model

PubMed Central

Peng, Po-Chun; Hsieh, Chien-Ming; Chen, Chueh-Pin; Tsai, Tsuimin; Chen, Chin-Tin

2016-01-01

Chitosan hydrogels containing hydroxypropyl methylcellulose (HPMC) and toluidine blue O were prepared and assessed for their mucoadhesive property and antimicrobial efficacy of photodynamic inactivation (PDI). Increased HPMC content in the hydrogels resulted in increased mucoadhesiveness. Furthermore, we developed a simple In Vitro 3D gingival model resembling the oral periodontal pocket to culture the biofilms of Staphylococcus aureus (S. aureus), Aggregatibacter actinomycetemcomitans (A. actinomycetemcomitans), and Porphyromonas gingivalis (P. gingivalis). The PDI efficacy of chitosan hydrogel was examined against periodontal biofilms cultured in this 3D gingival model. We found that the PDI effectiveness was limited due to leaving some of the innermost bacteria alive at the non-illuminated site. Using this 3D gingival model, we further optimized PDI procedures with various adjustments of light energy and irradiation sites. The PDI efficacy of the chitosan hydrogel against periodontal biofilms can significantly improve via four sides of irradiation. In conclusion, this study not only showed the clinical applicability of this chitosan hydrogel but also the importance of the light irradiation pattern in performing PDI for periodontal disease. PMID:27809278

Assessment of Photodynamic Inactivation against Periodontal Bacteria Mediated by a Chitosan Hydrogel in a 3D Gingival Model.

PubMed

Peng, Po-Chun; Hsieh, Chien-Ming; Chen, Chueh-Pin; Tsai, Tsuimin; Chen, Chin-Tin

2016-11-01

Chitosan hydrogels containing hydroxypropyl methylcellulose (HPMC) and toluidine blue O were prepared and assessed for their mucoadhesive property and antimicrobial efficacy of photodynamic inactivation (PDI). Increased HPMC content in the hydrogels resulted in increased mucoadhesiveness. Furthermore, we developed a simple In Vitro 3D gingival model resembling the oral periodontal pocket to culture the biofilms of Staphylococcus aureus ( S. aureus ), Aggregatibacter actinomycetemcomitans ( A. actinomycetemcomitans ), and Porphyromonas gingivalis ( P. gingivalis ). The PDI efficacy of chitosan hydrogel was examined against periodontal biofilms cultured in this 3D gingival model. We found that the PDI effectiveness was limited due to leaving some of the innermost bacteria alive at the non-illuminated site. Using this 3D gingival model, we further optimized PDI procedures with various adjustments of light energy and irradiation sites. The PDI efficacy of the chitosan hydrogel against periodontal biofilms can significantly improve via four sides of irradiation. In conclusion, this study not only showed the clinical applicability of this chitosan hydrogel but also the importance of the light irradiation pattern in performing PDI for periodontal disease.

Testing high resolution numerical models for analysis of contaminant storage and release from low permeability zones

NASA Astrophysics Data System (ADS)

Chapman, Steven W.; Parker, Beth L.; Sale, Tom C.; Doner, Lee Ann

2012-08-01

It is now widely recognized that contaminant release from low permeability zones can sustain plumes long after primary sources are depleted, particularly for chlorinated solvents where regulatory limits are orders of magnitude below source concentrations. This has led to efforts to appropriately characterize sites and apply models for prediction incorporating these effects. A primary challenge is that diffusion processes are controlled by small-scale concentration gradients and capturing mass distribution in low permeability zones requires much higher resolution than commonly practiced. This paper explores validity of using numerical models (HydroGeoSphere, FEFLOW, MODFLOW/MT3DMS) in high resolution mode to simulate scenarios involving diffusion into and out of low permeability zones: 1) a laboratory tank study involving a continuous sand body with suspended clay layers which was 'loaded' with bromide and fluorescein (for visualization) tracers followed by clean water flushing, and 2) the two-layer analytical solution of Sale et al. (2008) involving a relatively simple scenario with an aquifer and underlying low permeability layer. All three models are shown to provide close agreement when adequate spatial and temporal discretization are applied to represent problem geometry, resolve flow fields and capture advective transport in the sands and diffusive transfer with low permeability layers and minimize numerical dispersion. The challenge for application at field sites then becomes appropriate site characterization to inform the models, capturing the style of the low permeability zone geometry and incorporating reasonable hydrogeologic parameters and estimates of source history, for scenario testing and more accurate prediction of plume response, leading to better site decision making.

Phase Diagrams of Three-Dimensional Anderson and Quantum Percolation Models Using Deep Three-Dimensional Convolutional Neural Network

NASA Astrophysics Data System (ADS)

Mano, Tomohiro; Ohtsuki, Tomi

2017-11-01

The three-dimensional Anderson model is a well-studied model of disordered electron systems that shows the delocalization-localization transition. As in our previous papers on two- and three-dimensional (2D, 3D) quantum phase transitions [J. Phys. Soc. Jpn. 85, 123706 (2016), 86, 044708 (2017)], we used an image recognition algorithm based on a multilayered convolutional neural network. However, in contrast to previous papers in which 2D image recognition was used, we applied 3D image recognition to analyze entire 3D wave functions. We show that a full phase diagram of the disorder-energy plane is obtained once the 3D convolutional neural network has been trained at the band center. We further demonstrate that the full phase diagram for 3D quantum bond and site percolations can be drawn by training the 3D Anderson model at the band center.

PLEMT: A NOVEL PSEUDOLIKELIHOOD BASED EM TEST FOR HOMOGENEITY IN GENERALIZED EXPONENTIAL TILT MIXTURE MODELS.

PubMed

Hong, Chuan; Chen, Yong; Ning, Yang; Wang, Shuang; Wu, Hao; Carroll, Raymond J

2017-01-01

Motivated by analyses of DNA methylation data, we propose a semiparametric mixture model, namely the generalized exponential tilt mixture model, to account for heterogeneity between differentially methylated and non-differentially methylated subjects in the cancer group, and capture the differences in higher order moments (e.g. mean and variance) between subjects in cancer and normal groups. A pairwise pseudolikelihood is constructed to eliminate the unknown nuisance function. To circumvent boundary and non-identifiability problems as in parametric mixture models, we modify the pseudolikelihood by adding a penalty function. In addition, the test with simple asymptotic distribution has computational advantages compared with permutation-based test for high-dimensional genetic or epigenetic data. We propose a pseudolikelihood based expectation-maximization test, and show the proposed test follows a simple chi-squared limiting distribution. Simulation studies show that the proposed test controls Type I errors well and has better power compared to several current tests. In particular, the proposed test outperforms the commonly used tests under all simulation settings considered, especially when there are variance differences between two groups. The proposed test is applied to a real data set to identify differentially methylated sites between ovarian cancer subjects and normal subjects.

Electrochemistry of Simple Organometallic Models of Iron-Iron Hydrogenases in Organic Solvent and Water.

PubMed

Gloaguen, Frederic

2016-01-19

Synthetic models of the active site of iron-iron hydrogenases are currently the subjects of numerous studies aimed at developing H2-production catalysts based on cheap and abundant materials. In this context, the present report offers an electrochemist's view of the catalysis of proton reduction by simple binuclear iron(I) thiolate complexes. Although these complexes probably do not follow a biocatalytic pathway, we analyze and discuss the interplay between the reduction potential and basicity and how these antagonist properties impact the mechanisms of proton-coupled electron transfer to the metal centers. This question is central to any consideration of the activity at the molecular level of hydrogenases and related enzymes. In a second part, special attention is paid to iron thiolate complexes holding rigid and unsaturated bridging ligands. The complexes that enjoy mild reduction potentials and stabilized reduced forms are promising iron-based catalysts for the photodriven evolution of H2 in organic solvents and, more importantly, in water.

Capillarity theory for the fly-casting mechanism

PubMed Central

Trizac, Emmanuel; Levy, Yaakov; Wolynes, Peter G.

2010-01-01

Biomolecular folding and function are often coupled. During molecular recognition events, one of the binding partners may transiently or partially unfold, allowing more rapid access to a binding site. We describe a simple model for this fly-casting mechanism based on the capillarity approximation and polymer chain statistics. The model shows that fly casting is most effective when the protein unfolding barrier is small and the part of the chain which extends toward the target is relatively rigid. These features are often seen in known examples of fly casting in protein–DNA binding. Simulations of protein–DNA binding based on well-funneled native-topology models with electrostatic forces confirm the trends of the analytical theory. PMID:20133683

Improving Web Searches: Case Study of Quit-Smoking Web Sites for Teenagers

PubMed Central

Skinner, Harvey

2003-01-01

Background The Web has become an important and influential source of health information. With the vast number of Web sites on the Internet, users often resort to popular search sites when searching for information. However, little is known about the characteristics of Web sites returned by simple Web searches for information about smoking cessation for teenagers. Objective To determine the characteristics of Web sites retrieved by search engines about smoking cessation for teenagers and how information quality correlates with the search ranking. Methods The top 30 sites returned by 4 popular search sites in response to the search terms "teen quit smoking" were examined. The information relevance and quality characteristics of these sites were evaluated by 2 raters. Objective site characteristics were obtained using a page-analysis Web site. Results Only 14 of the 30 Web sites are of direct relevance to smoking cessation for teenagers. The readability of about two-thirds of the 14 sites is below an eighth-grade school level and they ranked significantly higher (Kendall rank correlation, tau = -0.39, P= .05) in search-site results than sites with readability above or equal to that grade level. Sites that ranked higher were significantly associated with the presence of e-mail address for contact (tau = -0.46, P= .01), annotated hyperlinks to external sites (tau = -0.39, P= .04), and the presence of meta description tag (tau = -0.48, P= .002). The median link density (number of external sites that have a link to that site) of the Web pages was 6 and the maximum was 735. A higher link density was significantly associated with a higher rank (tau = -0.58, P= .02). Conclusions Using simple search terms on popular search sites to look for information on smoking cessation for teenagers resulted in less than half of the sites being of direct relevance. To improve search efficiency, users could supplement results obtained from simple Web searches with human-maintained Web directories and learn to refine their searches with more advanced search syntax. PMID:14713656

Mixed mechanisms of multi-site phosphorylation

PubMed Central

Suwanmajo, Thapanar; Krishnan, J.

2015-01-01

Multi-site phosphorylation is ubiquitous in cell biology and has been widely studied experimentally and theoretically. The underlying chemical modification mechanisms are typically assumed to be distributive or processive. In this paper, we study the behaviour of mixed mechanisms that can arise either because phosphorylation and dephosphorylation involve different mechanisms or because phosphorylation and/or dephosphorylation can occur through a combination of mechanisms. We examine a hierarchy of models to assess chemical information processing through different mixed mechanisms, using simulations, bifurcation analysis and analytical work. We demonstrate how mixed mechanisms can show important and unintuitive differences from pure distributive and processive mechanisms, in some cases resulting in monostable behaviour with simple dose–response behaviour, while in other cases generating new behaviour-like oscillations. Our results also suggest patterns of information processing that are relevant as the number of modification sites increases. Overall, our work creates a framework to examine information processing arising from complexities of multi-site modification mechanisms and their impact on signal transduction. PMID:25972433

SP transcription factor paralogs and DNA-binding sites coevolve and adaptively converge in mammals and birds.

PubMed

Yokoyama, Ken Daigoro; Pollock, David D

2012-01-01

Functional modification of regulatory proteins can affect hundreds of genes throughout the genome, and is therefore thought to be almost universally deleterious. This belief, however, has recently been challenged. A potential example comes from transcription factor SP1, for which statistical evidence indicates that motif preferences were altered in eutherian mammals. Here, we set out to discover possible structural and theoretical explanations, evaluate the role of selection in SP1 evolution, and discover effects on coregulatory proteins. We show that SP1 motif preferences were convergently altered in birds as well as mammals, inducing coevolutionary changes in over 800 regulatory regions. Structural and phylogenic evidence implicates a single causative amino acid replacement at the same SP1 position along both lineages. Furthermore, paralogs SP3 and SP4, which coregulate SP1 target genes through competitive binding to the same sites, have accumulated convergent replacements at the homologous position multiple times during eutherian and bird evolution, presumably to preserve competitive binding. To determine plausibility, we developed and implemented a simple model of transcription factor and binding site coevolution. This model predicts that, in contrast to prevailing beliefs, even small selective benefits per locus can drive concurrent fixation of transcription factor and binding site mutants under a broad range of conditions. Novel binding sites tend to arise de novo, rather than by mutation from ancestral sites, a prediction substantiated by SP1-binding site alignments. Thus, multiple lines of evidence indicate that selection has driven convergent evolution of transcription factors along with their binding sites and coregulatory proteins.

SP Transcription Factor Paralogs and DNA-Binding Sites Coevolve and Adaptively Converge in Mammals and Birds

PubMed Central

Yokoyama, Ken Daigoro; Pollock, David D.

2012-01-01

Functional modification of regulatory proteins can affect hundreds of genes throughout the genome, and is therefore thought to be almost universally deleterious. This belief, however, has recently been challenged. A potential example comes from transcription factor SP1, for which statistical evidence indicates that motif preferences were altered in eutherian mammals. Here, we set out to discover possible structural and theoretical explanations, evaluate the role of selection in SP1 evolution, and discover effects on coregulatory proteins. We show that SP1 motif preferences were convergently altered in birds as well as mammals, inducing coevolutionary changes in over 800 regulatory regions. Structural and phylogenic evidence implicates a single causative amino acid replacement at the same SP1 position along both lineages. Furthermore, paralogs SP3 and SP4, which coregulate SP1 target genes through competitive binding to the same sites, have accumulated convergent replacements at the homologous position multiple times during eutherian and bird evolution, presumably to preserve competitive binding. To determine plausibility, we developed and implemented a simple model of transcription factor and binding site coevolution. This model predicts that, in contrast to prevailing beliefs, even small selective benefits per locus can drive concurrent fixation of transcription factor and binding site mutants under a broad range of conditions. Novel binding sites tend to arise de novo, rather than by mutation from ancestral sites, a prediction substantiated by SP1-binding site alignments. Thus, multiple lines of evidence indicate that selection has driven convergent evolution of transcription factors along with their binding sites and coregulatory proteins. PMID:23019068

The Source Physics Experiments (SPE) at the Nevada National Security Site (NNSS): An Overview

NASA Astrophysics Data System (ADS)

Snelson, C. M.; Chipman, V.; White, R. L.; Emmitt, R.; Townsend, M.; Barker, D.; Lee, P.

2012-12-01

Understanding the changes in seismic energy as it travels from the near field to the far field is the ultimate goal in monitoring for explosive events of interest. This requires a clear understanding of explosion phenomenology as it relates to seismic, infrasound, and acoustic signals. Although there has been much progress in modeling these phenomena, this has been primarily based in the empirical realm. As a result, the logical next step in advancing the seismic monitoring capability of the United States is to conduct field tests that can expand the predictive capability of the physics-based modeling currently under development. The Source Physics Experiment at the Nevada National Security Site (SPE) is the first step in this endeavor to link the empirically based with the physics-based modeling. This is a collaborative project between National Security Technologies (NSTec), Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), the Defense Threat Reduction Agency (DTRA), and the Air Force Technical Applications Center (AFTAC). The test series require both the simple and complex cases to fully characterize the problem, which is to understand the transition of seismic energy from the near field to the far field; to understand the development of S-waves in explosives sources; and how anisotropy controls seismic energy transmission and partitioning. The current series is being conducted in a granite body called the Climax Stock. This location was chosen for several reasons, including the fairly homogenous granite; the location of previous nuclear tests in the same rock body; and generally the geology has been well characterized. The simple geology series is planned for 7 shots using conventional explosives in the same shot hole surrounded by Continuous Reflectometry for Radius vs. Time Experiment (CORRTEX), Time of Arrival (TOA), Velocity of Detonation (VOD), down-hole accelerometers, surface accelerometers, infrasound, and a suite of seismic sensors of various frequency bands from the near field to the far field. This allows for the use of a single test bed in the simple geology case instead of multiple tests beds to obtain the same results. The shots are planned at various depths to obtain a Green's function, scaled-depth of burial data, nominal depth of burial data and damage zone data. SPE1 was conducted in May 2011 as a 220 lb (100 kg) TNT equivalent calibration shot at a depth of 180 ft (55 m). SPE2 was conducted in October 2011 as a 2200 lb (1000 kg) TNT equivalent calibration shot at a depth of 150 ft (46 m). SPE3 was conducted in July 2012 as a 2200 lb (1000 kg) TNT equivalent calibration shot at a depth of 150 ft (46 m) in the damaged zone. Over 400 data channels were recorded for each of these shots and data recovery was about 95% with high signal to noise ratio. Once the simple geology site data has been utilized, a new test bed will be developed in a complex geology site to test these physics based models. Ultimately, the results from this project will provide the next advances in the science of monitoring to enable a physics-based predicative capability. This work was done by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of Energy. DOE/NV/25946--1584

Towards the development of multifunctional molecular indicators combining soil biogeochemical and microbiological variables to predict the ecological integrity of silvicultural practices.

PubMed

Peck, Vincent; Quiza, Liliana; Buffet, Jean-Philippe; Khdhiri, Mondher; Durand, Audrey-Anne; Paquette, Alain; Thiffault, Nelson; Messier, Christian; Beaulieu, Nadyre; Guertin, Claude; Constant, Philippe

2016-05-01

The impact of mechanical site preparation (MSP) on soil biogeochemical structure in young larch plantations was investigated. Soil samples were collected in replicated plots comprising simple trenching, double trenching, mounding and inverting site preparation. Unlogged natural mixed forest areas were used as a reference. Analysis of soil nutrients, abundance of bacteria and gas exchanges unveiled no significant difference among the plots. However, inverting site preparation resulted in higher variations of gas exchanges when compared with trenching, mounding and unlogged natural forest. A combination of the biological and physicochemical variables was used to define a multifunctional classification of the soil samples into four distinct groups categorized as a function of their deviation from baseline ecological conditions. According to this classification model, simple trenching was the approach that represented the lowest ecological risk potential at the microsite level. No relationship was observed between MSP method and soil bacterial community structure as assessed by high-throughput sequencing of bacterial 16S rRNA gene; however, indicator genotypes were identified for each multifunctional soil class. This is the first identification of multifunctional molecular indicators for baseline and disturbed ecological conditions in soil, demonstrating the potential of applied microbial ecology to guide silvicultural practices and ecological risk assessment. © 2016 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

Estimating radiofrequency power deposition in body NMR imaging.

PubMed

Bottomley, P A; Redington, R W; Edelstein, W A; Schenck, J F

1985-08-01

Simple theoretical estimates of the average, maximum, and spatial variation of the radiofrequency power deposition (specific absorption rate) during hydrogen nuclear magnetic resonance imaging are deduced for homogeneous spheres and for cylinders of biological tissue with a uniformly penetrating linear rf field directed axially and transverse to the cylindrical axis. These are all simple scalar multiples of the expression for the cylinder in an axial field published earlier (Med. Phys. 8, 510 (1981]. Exact solutions for the power deposition in the cylinder with axial (Phys. Med. Biol. 23, 630 (1978] and transversely directed rf field are also presented, and the spatial variation of power deposition in head and body models is examined. In the exact models, the specific absorption rates decrease rapidly and monotonically with decreasing radius despite local increases in rf field amplitude. Conversion factors are provided for calculating the power deposited by Gaussian and sinc-modulated rf pulses used for slice selection in NMR imaging, relative to rectangular profiled pulses. Theoretical estimates are compared with direct measurements of the total power deposited in the bodies of nine adult males by a 63-MHz body-imaging system with transversely directed field, taking account of cable and NMR coil losses. The results for the average power deposition agree within about 20% for the exact model of the cylinder with axial field, when applied to the exposed torso volume enclosed by the rf coil. The average values predicted by the simple spherical and cylindrical models with axial fields, the exact cylindrical model with transverse field, and the simple truncated cylinder model with transverse field were about two to three times that measured, while the simple model consisting of an infinitely long cylinder with transverse field gave results about six times that measured. The surface power deposition measured by observing the incremental power as a function of external torso radius was comparable to the average value. This is consistent with the presence of a variable thickness peripheral adipose layer which does not substantially increase surface power deposition with increasing torso radius. The absence of highly localized intensity artifacts in 63-MHz body images does not suggest anomalously intense power deposition at localized internal sites, although peak power is difficult to measure.

The pH-dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance

PubMed Central

Tabares, Leandro C.; Gätjens, Jessica; Hureau, Christelle; Burrell, Matthew R.; Bowater, Laura; Pecoraro, Vincent L.; Bornemann, Stephen; Un, Sun

2009-01-01

A high-field electron paramagnetic resonance (HFEPR) study of oxalate decarboxylase (OxdC) is reported. OxdC breaks down oxalate to carbon dioxide and formate and possesses two distinct manganese(II) binding sites, referred to as site-1 and -2. The Mn(II) zero-field interaction was used to probe the electronic state of the metal ion and to examine chemical/mechanistic roles of each of the Mn(II) centers. High magnetic-fields were exploited not only to resolve the two sites, but also to measure accurately the Mn(II) zero-field parameters of each of the sites. The spectra exhibited surprisingly complex behavior as a function of pH. Six different species were identified based on their zero-field interactions, two corresponding to site-1 and four states to site-2. The assignments were verified using a mutant that only affected site-1. The speciation data determined from the HFEPR spectra for site -2 was consistent with a simple triprotic equilibrium model, while the pH dependence of site-1 could be described by a single pKa. This pH dependence was independent of the presence of the His-tag and of whether the preparations contained 1.2 or 1.6 Mn per subunit. Possible structures of the six species are proposed based on spectroscopic data from model complexes and existing protein crystallographic structures obtained at pH 8 are discussed. Although site-1 has been identified as the active site and no role has been assigned to site-2, the pronounced changes in the electronic structure of the latter and its pH behavior, which also matches the pH-dependent activity of this enzyme, suggests that even if the conversion of oxalate to formate is carried out at site-1, site-2 likely plays a catalytically relevant role. PMID:19505123

An alternative screening model for the estimation of outdoor air concentration at large contaminated sites

NASA Astrophysics Data System (ADS)

Verginelli, Iason; Nocentini, Massimo; Baciocchi, Renato

2017-09-01

Simplified analytical solutions of fate and transport models are often used to carry out risk assessment on contaminated sites, to evaluate the long-term air quality in relation to volatile organic compounds in either soil or groundwater. Among the different assumptions employed to develop these solutions, in this work we focus on those used in the ASTM-RBCA ;box model; for the evaluation of contaminant dispersion in the atmosphere. In this simple model, it is assumed that the contaminant volatilized from the subsurface is dispersed in the atmosphere within a mixing height equal to two meters, i.e. the height of the breathing zone. In certain cases, this simplification could lead to an overestimation of the outdoor air concentration at the point of exposure. In this paper we first discuss the maximum source lengths (in the wind direction) for which the application of the ;box model; can be considered acceptable. Specifically, by comparing the results of ;box model; with the SCREEN3 model of U.S.EPA we found that under very stable atmospheric conditions (class F) the ASTM-RBCA approach provides acceptable results for source lengths up to 200 m while for very unstable atmospheric conditions (class A and B) the overestimation of the concentrations at the point of the exposure can be already observed for source lengths of only 10 m. In the latter case, the overestimation of the ;box model; can be of more than one order of magnitude for source lengths above 500 m. To overcome this limitation, in this paper we introduce a simple analytical solution that can be used for the calculation of the concentration at the point of exposure for large contaminated sites. The method consists in the introduction of an equivalent mixing zone height that allows to account for the dispersion of the contaminants along the source length while keeping the simplistic ;box model; approach that is implemented in most of risk assessment tools that are based on the ASTM-RBCA standard (e.g. RBCA toolkit). Based on our testing, we found that the developed model replicates very well the results of the more sophisticated dispersion SCREEN3 model with deviations always below 10%. The key advantage of this approach is that it can be very easily incorporated in the current risk assessment screening tools that are based on the ASTM standards while ensuring a more accurate evaluation of the concentration at the point of exposure.

Methods for developing time-series climate surfaces to drive topographically distributed energy- and water-balance models

USGS Publications Warehouse

Susong, D.; Marks, D.; Garen, D.

1999-01-01

Topographically distributed energy- and water-balance models can accurately simulate both the development and melting of a seasonal snowcover in the mountain basins. To do this they require time-series climate surfaces of air temperature, humidity, wind speed, precipitation, and solar and thermal radiation. If data are available, these parameters can be adequately estimated at time steps of one to three hours. Unfortunately, climate monitoring in mountain basins is very limited, and the full range of elevations and exposures that affect climate conditions, snow deposition, and melt is seldom sampled. Detailed time-series climate surfaces have been successfully developed using limited data and relatively simple methods. We present a synopsis of the tools and methods used to combine limited data with simple corrections for the topographic controls to generate high temporal resolution time-series images of these climate parameters. Methods used include simulations, elevational gradients, and detrended kriging. The generated climate surfaces are evaluated at points and spatially to determine if they are reasonable approximations of actual conditions. Recommendations are made for the addition of critical parameters and measurement sites into routine monitoring systems in mountain basins.Topographically distributed energy- and water-balance models can accurately simulate both the development and melting of a seasonal snowcover in the mountain basins. To do this they require time-series climate surfaces of air temperature, humidity, wind speed, precipitation, and solar and thermal radiation. If data are available, these parameters can be adequately estimated at time steps of one to three hours. Unfortunately, climate monitoring in mountain basins is very limited, and the full range of elevations and exposures that affect climate conditions, snow deposition, and melt is seldom sampled. Detailed time-series climate surfaces have been successfully developed using limited data and relatively simple methods. We present a synopsis of the tools and methods used to combine limited data with simple corrections for the topographic controls to generate high temporal resolution time-series images of these climate parameters. Methods used include simulations, elevational gradients, and detrended kriging. The generated climate surfaces are evaluated at points and spatially to determine if they are reasonable approximations of actual conditions. Recommendations are made for the addition of critical parameters and measurement sites into routine monitoring systems in mountain basins.

A New Framework for Adaptive Sampling and Analysis During Long-Term Monitoring and Remedial Action Management

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

Minsker, Barbara

2004-12-01

The Argonne team has gathered available data on monitoring wells and measured hydraulic heads from the Argonne 317/319 site and sent it to UIUC. Xiaodong Li, a research assistant supported by the project, has reviewed the data and has fit initial spatiotemporal statistical models to it. Another research assistant, Yonas Demissie, has completed generation of the artificial data that will be used for model development and testing. In order to generate the artificial data a detailed groundwater flow and contaminant transport model was developed based upon characteristics of the 317/319 site. The model covers a multi-year time horizon that includesmore » both before and after planting of the trees. As described in the proposal, the artificial data is created by adding ''measurement'' error to the ''true'' value from the numerical model. To date, only simple white noise error models have been considered. He is now reviewing the literature and beginning to develop a hierarchical modeling approach for the artificial data. Abhishek Singh, a third research assistant supported by the project, is implementing learning models for learning users preferences in an interactive genetic algorithm for solving the inverse problem. Meghna Babbar, the fourth research assistant supported by the project, has been improving the user interface for the interactive genetic algorithm and preparing a long-term monitoring design problem for testing the approach. Gayathri Gopalakrishnan, the last research assistant who is partially supported by the project, has collected substantial data from the 317/319 phytoremediation site at Argonne and has begun learning approaches for modeling these data.« less

Remediation of muddy tidal flat sediments using hot air-dried crushed oyster shells.

PubMed

Yamamoto, Tamiji; Kondo, Shunsuke; Kim, Kyung-Hoi; Asaoka, Satoshi; Yamamoto, Hironori; Tokuoka, Makoto; Hibino, Tadashi

2012-11-01

In order to prove that hot air-dried crushed oyster shells (HACOS) are effective in reducing hydrogen sulfide in muddy tidal flat sediments and increasing the biomass, field experiments were carried out. The concentration of hydrogen sulfide in the interstitial water, which was 16 mg SL(-1) before the application of HACOS, decreased sharply and maintained almost zero in the experimental sites (HACOS application sites) for one year, whereas it was remained at ca. 5 mg SL(-1) in the control sites. The number of macrobenthos individuals increased to 2-4.5 times higher than that in the control site. Using a simple numerical model, the effective periods for suppression of hydrogen sulfide were estimated to be 3.2-7.6 and 6.4-15.2 years for the experimental sites with 4 and 8 tons per 10 × 10 × 0.2m area, respectively. From these results, it is concluded that HACOS is an effective material to remediate muddy tidal flats. Copyright © 2012 Elsevier Ltd. All rights reserved.

THE POTENTIAL IMPACT OF INTEGRATED MALARIA TRANSMISSION CONTROL ON ENTOMOLOGIC INOCULATION RATE IN HIGHLY ENDEMIC AREAS

PubMed Central

KILLEEN, GERRY F.; McKENZIE, F. ELLIS; FOY, BRIAN D.; SCHIEFFELIN, CATHERINE; BILLINGSLEY, PETER F.; BEIER, JOHN C.

2008-01-01

We have used a relatively simple but accurate model for predicting the impact of integrated transmission control on the malaria entomologic inoculation rate (EIR) at four endemic sites from across sub-Saharan Africa and the southwest Pacific. The simulated campaign incorporated modestly effective vaccine coverage, bed net use, and larval control. The results indicate that such campaigns would reduce EIRs at all four sites by 30- to 50-fold. Even without the vaccine, 15- to 25-fold reductions of EIR were predicted, implying that integrated control with a few modestly effective tools can meaningfully reduce malaria transmission in a range of endemic settings. The model accurately predicts the effects of bed nets and indoor spraying and demonstrates that they are the most effective tools available for reducing EIR. However, the impact of domestic adult vector control is amplified by measures for reducing the rate of emergence of vectors or the level of infectiousness of the human reservoir. We conclude that available tools, including currently neglected methods for larval control, can reduce malaria transmission intensity enough to alleviate mortality. Integrated control programs should be implemented to the fullest extent possible, even in areas of intense transmission, using simple models as decision-making tools. However, we also conclude that to eliminate malaria in many areas of intense transmission is beyond the scope of methods which developing nations can currently afford. New, cost-effective, practical tools are needed if malaria is ever to be eliminated from highly endemic areas. PMID:11289662

Angling sport fishing in Lobo-Broa reservoir (Itirapina, SP, Brazil).

PubMed

Pereira, J M A; Petrere, M; Ribeiro-Filho, R A

2008-11-01

The objective of this paper was to study angling from September, 2002 to September, 2004 in the Lobo-Broa Reservoir, Itirapina, SP (22 degrees 15' S and 47 degrees 49' W). Interviews (total 1,027) with sport fishers were accomplished in the three main fishing sites (Horto, Píer and Praia). This fishing was practiced with a simple fishing rod and reel, mainly in Horto, where the catches and fishing effort were higher. The catches were mainly composed of Cichlidae (Geophagus brasiliensis, Oreochromis niloticus, Tilapia rendalli and Cichla monoculus). We tried to determine which factors (fishing sites, type of baits and season) and the covariate fishing effort, expressed in number of fishing rods multiplied by fishing time, would affect catches, using a 3 way-ANCOVA. The final model showed that only fishing sites and effort determined the captures of sporting fishing in the reservoir. Some measures for managing fishing practices are discussed.

A structural equation model analysis of relationships among ENSO, seasonal descriptors and wildfires.

PubMed

Slocum, Matthew G; Orzell, Steve L

2013-01-01

Seasonality drives ecological processes through networks of forcings, and the resultant complexity requires creative approaches for modeling to be successful. Recently ecologists and climatologists have developed sophisticated methods for fully describing seasons. However, to date the relationships among the variables produced by these methods have not been analyzed as networks, but rather with simple univariate statistics. In this manuscript we used structural equation modeling (SEM) to analyze a proposed causal network describing seasonality of rainfall for a site in south-central Florida. We also described how this network was influenced by the El Niño-Southern Oscillation (ENSO), and how the network in turn affected the site's wildfire regime. Our models indicated that wet and dry seasons starting later in the year (or ending earlier) were shorter and had less rainfall. El Niño conditions increased dry season rainfall, and via this effect decreased the consistency of that season's drying trend. El Niño conditions also negatively influenced how consistent the moistening trend was during the wet season, but in this case the effect was direct and did not route through rainfall. In modeling wildfires, our models showed that area burned was indirectly influenced by ENSO via its effect on dry season rainfall. Area burned was also indirectly reduced when the wet season had consistent rainfall, as such wet seasons allowed fewer wildfires in subsequent fire seasons. Overall area burned at the study site was estimated with high accuracy (R (2) score = 0.63). In summary, we found that by using SEMs, we were able to clearly describe causal patterns involving seasonal climate, ENSO and wildfire. We propose that similar approaches could be effectively applied to other sites where seasonality exerts strong and complex forcings on ecological processes.

Simulating Mass Removal of Groundwater Contaminant Plumes with Complex and Simple Models

NASA Astrophysics Data System (ADS)

Lopez, J.; Guo, Z.; Fogg, G. E.

2016-12-01

Chlorinated solvents used in industrial, commercial, and other applications continue to pose significant threats to human health through contamination of groundwater resources. A recent National Research Council report concludes that it is unlikely that remediation of these complex sites will be achieved in a time frame of 50-100 years under current methods and standards (NRC, 2013). Pump and treat has been a common strategy at many sites to contain and treat groundwater contamination. In these sites, extensive retention of contaminant mass in low-permeability materials (tailing) has been observed after years or decades of pumping. Although transport models can be built that contain enough of the complex, 3D heterogeneity to simulate the tailing and long cleanup times, this is seldom done because of the large data and computational burdens. Hence, useful, reliable models to simulate various cleanup strategies are rare. The purpose of this study is to explore other potential ways to simulate the mass-removal processes with shorter time and less cost but still produce robust results by capturing effects of the heterogeneity and long-term retention of mass. A site containing a trichloroethylene groundwater plume was selected as the study area. The plume is located within alluvial sediments in the Tucson Basin. A fully heterogeneous domain is generated first and MODFLOW is used to simulate the flow field. Contaminant transport is simulated using both MT3D and RWHet for the fully heterogeneous model. Other approaches, including dual-domain mass transfer and heterogeneous chemical reactions, are manipulated to simulate the mass removal in a less heterogeneous, or homogeneous, domain and results are compared to the results obtained from complex models. The capability of these simpler models to simulate remediation processes, especially capture the late-time tailing, are examined.

Anisotropy of fluctuation dynamics of proteins with an elastic network model.

PubMed Central

Atilgan, A R; Durell, S R; Jernigan, R L; Demirel, M C; Keskin, O; Bahar, I

2001-01-01

Fluctuations about the native conformation of proteins have proven to be suitably reproduced with a simple elastic network model, which has shown excellent agreement with a number of different properties for a wide variety of proteins. This scalar model simply investigates the magnitudes of motion of individual residues in the structure. To use the elastic model approach further for developing the details of protein mechanisms, it becomes essential to expand this model to include the added details of the directions of individual residue fluctuations. In this paper a new tool is presented for this purpose and applied to the retinol-binding protein, which indicates enhanced flexibility in the region of entry to the ligand binding site and for the portion of the protein binding to its carrier protein. PMID:11159421

Sirius PSB: a generic system for analysis of biological sequences.

PubMed

Koh, Chuan Hock; Lin, Sharene; Jedd, Gregory; Wong, Limsoon

2009-12-01

Computational tools are essential components of modern biological research. For example, BLAST searches can be used to identify related proteins based on sequence homology, or when a new genome is sequenced, prediction models can be used to annotate functional sites such as transcription start sites, translation initiation sites and polyadenylation sites and to predict protein localization. Here we present Sirius Prediction Systems Builder (PSB), a new computational tool for sequence analysis, classification and searching. Sirius PSB has four main operations: (1) Building a classifier, (2) Deploying a classifier, (3) Search for proteins similar to query proteins, (4) Preliminary and post-prediction analysis. Sirius PSB supports all these operations via a simple and interactive graphical user interface. Besides being a convenient tool, Sirius PSB has also introduced two novelties in sequence analysis. Firstly, genetic algorithm is used to identify interesting features in the feature space. Secondly, instead of the conventional method of searching for similar proteins via sequence similarity, we introduced searching via features' similarity. To demonstrate the capabilities of Sirius PSB, we have built two prediction models - one for the recognition of Arabidopsis polyadenylation sites and another for the subcellular localization of proteins. Both systems are competitive against current state-of-the-art models based on evaluation of public datasets. More notably, the time and effort required to build each model is greatly reduced with the assistance of Sirius PSB. Furthermore, we show that under certain conditions when BLAST is unable to find related proteins, Sirius PSB can identify functionally related proteins based on their biophysical similarities. Sirius PSB and its related supplements are available at: http://compbio.ddns.comp.nus.edu.sg/~sirius.

Target-classification approach applied to active UXO sites

NASA Astrophysics Data System (ADS)

Shubitidze, F.; Fernández, J. P.; Shamatava, Irma; Barrowes, B. E.; O'Neill, K.

2013-06-01

This study is designed to illustrate the discrimination performance at two UXO active sites (Oklahoma's Fort Sill and the Massachusetts Military Reservation) of a set of advanced electromagnetic induction (EMI) inversion/discrimination models which include the orthonormalized volume magnetic source (ONVMS), joint diagonalization (JD), and differential evolution (DE) approaches and whose power and flexibility greatly exceed those of the simple dipole model. The Fort Sill site is highly contaminated by a mix of the following types of munitions: 37-mm target practice tracers, 60-mm illumination mortars, 75-mm and 4.5'' projectiles, 3.5'', 2.36'', and LAAW rockets, antitank mine fuzes with and without hex nuts, practice MK2 and M67 grenades, 2.5'' ballistic windshields, M2A1-mines with/without bases, M19-14 time fuzes, and 40-mm practice grenades with/without cartridges. The site at the MMR site contains targets of yet different sizes. In this work we apply our models to EMI data collected using the MetalMapper (MM) and 2 × 2 TEMTADS sensors. The data for each anomaly are inverted to extract estimates of the extrinsic and intrinsic parameters associated with each buried target. (The latter include the total volume magnetic source or NVMS, which relates to size, shape, and material properties; the former includes location, depth, and orientation). The estimated intrinsic parameters are then used for classification performed via library matching and the use of statistical classification algorithms; this process yielded prioritized dig-lists that were submitted to the Institute for Defense Analyses (IDA) for independent scoring. The models' classification performance is illustrated and assessed based on these independent evaluations.

An experimental displacement and over 50 years of tag-recoveries show that monarch butterflies are not true navigators

PubMed Central

Mouritsen, Henrik; Derbyshire, Rachael; Stalleicken, Julia; Mouritsen, Ole Ø.; Frost, Barrie J.; Norris, D. Ryan

2013-01-01

Monarch butterflies (Danaus plexippus) breeding in eastern North America are famous for their annual fall migration to their overwintering grounds in Mexico. However, the mechanisms they use to successfully reach these sites remain poorly understood. Here, we test whether monarchs are true navigators who can determine their location relative to their final destination using both a “compass” and a “map”. Using flight simulators, we recorded the orientation of wild-caught monarchs in southwestern Ontario and found that individuals generally flew in a southwest direction toward the wintering grounds. When displaced 2,500 km to the west, the same individuals continued to fly in a general southwest direction, suggesting that monarchs use a simple vector-navigation strategy (i.e., use a specific compass bearing without compensating for displacement). Using over 5 decades of field data, we also show that the directional concentration and the angular SD of recoveries from tagged monarchs largely conformed to two mathematical models describing the directional distribution of migrants expected under a vector-navigation strategy. A third analysis of tagged recoveries shows that the increasing directionality of migration from north to south is largely because of the presence of geographic barriers that guide individuals toward overwintering sites. Our work suggests that monarchs breeding in eastern North America likely combine simple orientation mechanisms with geographic features that funnel them toward Mexican overwintering sites, a remarkable achievement considering that these butterflies weigh less than a gram and travel thousands of kilometers to a site they have never seen. PMID:23569228

An experimental displacement and over 50 years of tag-recoveries show that monarch butterflies are not true navigators.

PubMed

Mouritsen, Henrik; Derbyshire, Rachael; Stalleicken, Julia; Mouritsen, Ole Ø; Frost, Barrie J; Norris, D Ryan

2013-04-30

Monarch butterflies (Danaus plexippus) breeding in eastern North America are famous for their annual fall migration to their overwintering grounds in Mexico. However, the mechanisms they use to successfully reach these sites remain poorly understood. Here, we test whether monarchs are true navigators who can determine their location relative to their final destination using both a "compass" and a "map". Using flight simulators, we recorded the orientation of wild-caught monarchs in southwestern Ontario and found that individuals generally flew in a southwest direction toward the wintering grounds. When displaced 2,500 km to the west, the same individuals continued to fly in a general southwest direction, suggesting that monarchs use a simple vector-navigation strategy (i.e., use a specific compass bearing without compensating for displacement). Using over 5 decades of field data, we also show that the directional concentration and the angular SD of recoveries from tagged monarchs largely conformed to two mathematical models describing the directional distribution of migrants expected under a vector-navigation strategy. A third analysis of tagged recoveries shows that the increasing directionality of migration from north to south is largely because of the presence of geographic barriers that guide individuals toward overwintering sites. Our work suggests that monarchs breeding in eastern North America likely combine simple orientation mechanisms with geographic features that funnel them toward Mexican overwintering sites, a remarkable achievement considering that these butterflies weigh less than a gram and travel thousands of kilometers to a site they have never seen.

A simple algorithm for quantifying DNA methylation levels on multiple independent CpG sites in bisulfite genomic sequencing electropherograms.

PubMed

Leakey, Tatiana I; Zielinski, Jerzy; Siegfried, Rachel N; Siegel, Eric R; Fan, Chun-Yang; Cooney, Craig A

2008-06-01

DNA methylation at cytosines is a widely studied epigenetic modification. Methylation is commonly detected using bisulfite modification of DNA followed by PCR and additional techniques such as restriction digestion or sequencing. These additional techniques are either laborious, require specialized equipment, or are not quantitative. Here we describe a simple algorithm that yields quantitative results from analysis of conventional four-dye-trace sequencing. We call this method Mquant and we compare it with the established laboratory method of combined bisulfite restriction assay (COBRA). This analysis of sequencing electropherograms provides a simple, easily applied method to quantify DNA methylation at specific CpG sites.

Ground-Based GPS Sensing of Azimuthal Variations in Precipitable Water Vapor

NASA Technical Reports Server (NTRS)

Kroger, P. M.; Bar-Sever, Y. E.

1997-01-01

Current models for troposphere delay employed by GPS software packages map the total zenith delay to the line-of-sight delay of the individual satellite-receiver link under the assumption of azimuthal homogeneity. This could be a poor approximation for many sites, in particular, those located at an ocean front or next to a mountain range. We have modified the GIPSY-OASIS II software package to include a simple non-symmetric mapping function (MacMillan, 1995) which introduces two new parameters.

Block modeling of crustal deformation in Tierra del Fuego from GNSS velocities

NASA Astrophysics Data System (ADS)

Mendoza, L.; Richter, A.; Fritsche, M.; Hormaechea, J. L.; Perdomo, R.; Dietrich, R.

2015-05-01

The Tierra del Fuego (TDF) main island is divided by a major transform boundary between the South America and Scotia tectonic plates. Using a block model, we infer slip rates, locking depths and inclinations of active faults in TDF from inversion of site velocities derived from Global Navigation Satellite System observations. We use interseismic velocities from 48 sites, obtained from field measurements spanning 20 years. Euler vectors consistent with a simple seismic cycle are estimated for each block. In addition, we introduce far-field information into the modeling by applying constraints on Euler vectors of major tectonic plates. The difference between model and observed surface deformation near the Magallanes Fagnano Fault System (MFS) is reduced by considering finite dip in the forward model. For this tectonic boundary global plate circuits models predict relative movements between 7 and 9 mm yr- 1, while our regional model indicates that a strike-slip rate of 5.9 ± 0.2 mm yr- 1 is accommodated across the MFS. Our results indicate faults dipping 66- 4+ 6° southward, locked to a depth of 11- 5+ 5 km, which are consistent with geological models for the MFS. However, normal slip also dominates the fault perpendicular motion throughout the eastern MFS, with a maximum rate along the Fagnano Lake.

CaMELS: In silico prediction of calmodulin binding proteins and their binding sites.

PubMed

Abbasi, Wajid Arshad; Asif, Amina; Andleeb, Saiqa; Minhas, Fayyaz Ul Amir Afsar

2017-09-01

Due to Ca 2+ -dependent binding and the sequence diversity of Calmodulin (CaM) binding proteins, identifying CaM interactions and binding sites in the wet-lab is tedious and costly. Therefore, computational methods for this purpose are crucial to the design of such wet-lab experiments. We present an algorithm suite called CaMELS (CalModulin intEraction Learning System) for predicting proteins that interact with CaM as well as their binding sites using sequence information alone. CaMELS offers state of the art accuracy for both CaM interaction and binding site prediction and can aid biologists in studying CaM binding proteins. For CaM interaction prediction, CaMELS uses protein sequence features coupled with a large-margin classifier. CaMELS models the binding site prediction problem using multiple instance machine learning with a custom optimization algorithm which allows more effective learning over imprecisely annotated CaM-binding sites during training. CaMELS has been extensively benchmarked using a variety of data sets, mutagenic studies, proteome-wide Gene Ontology enrichment analyses and protein structures. Our experiments indicate that CaMELS outperforms simple motif-based search and other existing methods for interaction and binding site prediction. We have also found that the whole sequence of a protein, rather than just its binding site, is important for predicting its interaction with CaM. Using the machine learning model in CaMELS, we have identified important features of protein sequences for CaM interaction prediction as well as characteristic amino acid sub-sequences and their relative position for identifying CaM binding sites. Python code for training and evaluating CaMELS together with a webserver implementation is available at the URL: http://faculty.pieas.edu.pk/fayyaz/software.html#camels. © 2017 Wiley Periodicals, Inc.

Rarity-weighted richness: a simple and reliable alternative to integer programming and heuristic algorithms for minimum set and maximum coverage problems in conservation planning.

PubMed

Albuquerque, Fabio; Beier, Paul

2015-01-01

Here we report that prioritizing sites in order of rarity-weighted richness (RWR) is a simple, reliable way to identify sites that represent all species in the fewest number of sites (minimum set problem) or to identify sites that represent the largest number of species within a given number of sites (maximum coverage problem). We compared the number of species represented in sites prioritized by RWR to numbers of species represented in sites prioritized by the Zonation software package for 11 datasets in which the size of individual planning units (sites) ranged from <1 ha to 2,500 km2. On average, RWR solutions were more efficient than Zonation solutions. Integer programming remains the only guaranteed way find an optimal solution, and heuristic algorithms remain superior for conservation prioritizations that consider compactness and multiple near-optimal solutions in addition to species representation. But because RWR can be implemented easily and quickly in R or a spreadsheet, it is an attractive alternative to integer programming or heuristic algorithms in some conservation prioritization contexts.

Parameter sensitivity analysis and optimization for a satellite-based evapotranspiration model across multiple sites using Moderate Resolution Imaging Spectroradiometer and flux data

NASA Astrophysics Data System (ADS)

Zhang, Kun; Ma, Jinzhu; Zhu, Gaofeng; Ma, Ting; Han, Tuo; Feng, Li Li

2017-01-01

Global and regional estimates of daily evapotranspiration are essential to our understanding of the hydrologic cycle and climate change. In this study, we selected the radiation-based Priestly-Taylor Jet Propulsion Laboratory (PT-JPL) model and assessed it at a daily time scale by using 44 flux towers. These towers distributed in a wide range of ecological systems: croplands, deciduous broadleaf forest, evergreen broadleaf forest, evergreen needleleaf forest, grasslands, mixed forests, savannas, and shrublands. A regional land surface evapotranspiration model with a relatively simple structure, the PT-JPL model largely uses ecophysiologically-based formulation and parameters to relate potential evapotranspiration to actual evapotranspiration. The results using the original model indicate that the model always overestimates evapotranspiration in arid regions. This likely results from the misrepresentation of water limitation and energy partition in the model. By analyzing physiological processes and determining the sensitive parameters, we identified a series of parameter sets that can increase model performance. The model with optimized parameters showed better performance (R2 = 0.2-0.87; Nash-Sutcliffe efficiency (NSE) = 0.1-0.87) at each site than the original model (R2 = 0.19-0.87; NSE = -12.14-0.85). The results of the optimization indicated that the parameter β (water control of soil evaporation) was much lower in arid regions than in relatively humid regions. Furthermore, the optimized value of parameter m1 (plant control of canopy transpiration) was mostly between 1 to 1.3, slightly lower than the original value. Also, the optimized parameter Topt correlated well to the actual environmental temperature at each site. We suggest that using optimized parameters with the PT-JPL model could provide an efficient way to improve the model performance.

The Phyre2 web portal for protein modelling, prediction and analysis

PubMed Central

Kelley, Lawrence A; Mezulis, Stefans; Yates, Christopher M; Wass, Mark N; Sternberg, Michael JE

2017-01-01

Summary Phyre2 is a suite of tools available on the web to predict and analyse protein structure, function and mutations. The focus of Phyre2 is to provide biologists with a simple and intuitive interface to state-of-the-art protein bioinformatics tools. Phyre2 replaces Phyre, the original version of the server for which we previously published a protocol. In this updated protocol, we describe Phyre2, which uses advanced remote homology detection methods to build 3D models, predict ligand binding sites, and analyse the effect of amino-acid variants (e.g. nsSNPs) for a user’s protein sequence. Users are guided through results by a simple interface at a level of detail determined by them. This protocol will guide a user from submitting a protein sequence to interpreting the secondary and tertiary structure of their models, their domain composition and model quality. A range of additional available tools is described to find a protein structure in a genome, to submit large number of sequences at once and to automatically run weekly searches for proteins difficult to model. The server is available at http://www.sbg.bio.ic.ac.uk/phyre2. A typical structure prediction will be returned between 30mins and 2 hours after submission. PMID:25950237

Modelling technical snow production for skiing areas in the Austrian Alps with the physically based snow model AMUNDSEN

NASA Astrophysics Data System (ADS)

Hanzer, F.; Marke, T.; Steiger, R.; Strasser, U.

2012-04-01

Tourism and particularly winter tourism is a key factor for the Austrian economy. Judging from currently available climate simulations, the Austrian Alps show a particularly high vulnerability to climatic changes. To reduce the exposure of ski areas towards changes in natural snow conditions as well as to generally enhance snow conditions at skiing sites, technical snowmaking is widely utilized across Austrian ski areas. While such measures result in better snow conditions at the skiing sites and are important for the local skiing industry, its economic efficiency has also to be taken into account. The current work emerges from the project CC-Snow II, where improved future climate scenario simulations are used to determine future natural and artificial snow conditions and their effects on tourism and economy in the Austrian Alps. In a first step, a simple technical snowmaking approach is incorporated into the process based snow model AMUNDSEN, which operates at a spatial resolution of 10-50 m and a temporal resolution of 1-3 hours. Locations of skiing slopes within a ski area in Styria, Austria, were digitized and imported into the model environment. During a predefined time frame in the beginning of the ski season, the model produces a maximum possible amount of technical snow and distributes the associated snow on the slopes, whereas afterwards, until to the end of the ski season, the model tries to maintain a certain snow depth threshold value on the slopes. Due to only few required input parameters, this approach is easily transferable to other ski areas. In our poster contribution, we present first results of this snowmaking approach and give an overview of the data and methodology applied. In a further step in CC-Snow, this simple bulk approach will be extended to consider actual snow cannon locations and technical specifications, which will allow a more detailed description of technical snow production as well as cannon-based recordings of water and energy consumption.

WGE: a CRISPR database for genome engineering.

PubMed

Hodgkins, Alex; Farne, Anna; Perera, Sajith; Grego, Tiago; Parry-Smith, David J; Skarnes, William C; Iyer, Vivek

2015-09-15

The rapid development of CRISPR-Cas9 mediated genome editing techniques has given rise to a number of online and stand-alone tools to find and score CRISPR sites for whole genomes. Here we describe the Wellcome Trust Sanger Institute Genome Editing database (WGE), which uses novel methods to compute, visualize and select optimal CRISPR sites in a genome browser environment. The WGE database currently stores single and paired CRISPR sites and pre-calculated off-target information for CRISPRs located in the mouse and human exomes. Scoring and display of off-target sites is simple, and intuitive, and filters can be applied to identify high-quality CRISPR sites rapidly. WGE also provides a tool for the design and display of gene targeting vectors in the same genome browser, along with gene models, protein translation and variation tracks. WGE is open, extensible and can be set up to compute and present CRISPR sites for any genome. The WGE database is freely available at www.sanger.ac.uk/htgt/wge : vvi@sanger.ac.uk or skarnes@sanger.ac.uk Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press.

Traffic-based feedback on the web.

PubMed

Aizen, Jonathan; Huttenlocher, Daniel; Kleinberg, Jon; Novak, Antal

2004-04-06

Usage data at a high-traffic web site can expose information about external events and surges in popularity that may not be accessible solely from analyses of content and link structure. We consider sites that are organized around a set of items available for purchase or download, consider, for example, an e-commerce site or collection of online research papers, and we study a simple indicator of collective user interest in an item, the batting average, defined as the fraction of visits to an item's description that result in an acquisition of that item. We develop a stochastic model for identifying points in time at which an item's batting average experiences significant change. In experiments with usage data from the Internet Archive, we find that such changes often occur in an abrupt, discrete fashion, and that these changes can be closely aligned with events such as the highlighting of an item on the site or the appearance of a link from an active external referrer. In this way, analyzing the dynamics of item popularity at an active web site can help characterize the impact of a range of events taking place both on and off the site.

Traffic-based feedback on the web

PubMed Central

Aizen, Jonathan; Huttenlocher, Daniel; Kleinberg, Jon; Novak, Antal

2004-01-01

Usage data at a high-traffic web site can expose information about external events and surges in popularity that may not be accessible solely from analyses of content and link structure. We consider sites that are organized around a set of items available for purchase or download, consider, for example, an e-commerce site or collection of online research papers, and we study a simple indicator of collective user interest in an item, the batting average, defined as the fraction of visits to an item's description that result in an acquisition of that item. We develop a stochastic model for identifying points in time at which an item's batting average experiences significant change. In experiments with usage data from the Internet Archive, we find that such changes often occur in an abrupt, discrete fashion, and that these changes can be closely aligned with events such as the highlighting of an item on the site or the appearance of a link from an active external referrer. In this way, analyzing the dynamics of item popularity at an active web site can help characterize the impact of a range of events taking place both on and off the site. PMID:14709676

A nested observation and model approach to non linear groundwater surface water interactions.

NASA Astrophysics Data System (ADS)

van der Velde, Y.; Rozemeijer, J. C.; de Rooij, G. H.

2009-04-01

Surface water quality measurements in The Netherlands are scattered in time and space. Therefore, water quality status and its variations and trends are difficult to determine. In order to reach the water quality goals according to the European Water Framework Directive, we need to improve our understanding of the dynamics of surface water quality and the processes that affect it. In heavily drained lowland catchment groundwater influences the discharge towards the surface water network in many complex ways. Especially a strong seasonal contracting and expanding system of discharging ditches and streams affects discharge and solute transport. At a tube drained field site the tube drain flux and the combined flux of all other flow routes toward a stretch of 45 m of surface water have been measured for a year. Also the groundwater levels at various locations in the field and the discharge at two nested catchment scales have been monitored. The unique reaction of individual flow routes on rainfall events at the field site allowed us to separate the discharge at a 4 ha catchment and at a 6 km2 into flow route contributions. The results of this nested experimental setup combined with the results of a distributed hydrological model has lead to the formulation of a process model approach that focuses on the spatial variability of discharge generation driven by temporal and spatial variations in groundwater levels. The main idea of this approach is that discharge is not generated by catchment average storages or groundwater heads, but is mainly generated by points scale extremes i.e. extreme low permeability, extreme high groundwater heads or extreme low surface elevations, all leading to catchment discharge. We focused on describing the spatial extremes in point scale storages and this led to a simple and measurable expression that governs the non-linear groundwater surface water interaction. We will present the analysis of the field site data to demonstrate the potential of nested-scale, high frequency observations. The distributed hydrological model results will be used to show transient catchment scale relations between groundwater levels and discharges. These analyses lead to a simple expression that can describe catchment scale groundwater surface water interactions.

Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetallics: Toward a Transferable Theoretical Framework.

PubMed

Giansiracusa, Marcus J; Moreno-Pineda, Eufemio; Hussain, Riaz; Marx, Raphael; Martínez Prada, María; Neugebauer, Petr; Al-Badran, Susan; Collison, David; Tuna, Floriana; van Slageren, Joris; Carretta, Stefano; Guidi, Tatiana; McInnes, Eric J L; Winpenny, Richard E P; Chilton, Nicholas F

2018-02-21

Magnetic exchange interactions within the asymmetric dimetallic compounds [hqH 2 ][Ln 2 (hq) 4 (NO 3 ) 3 ]·MeOH, (Ln = Er(III) and Yb(III), hqH = 8-hydroxyquinoline) have been directly probed with EPR spectroscopy and accurately modeled by spin Hamiltonian techniques. Exploitation of site selectivity via doping experiments in Y(III) and Lu(III) matrices yields simple EPR spectra corresponding to isolated Kramers doublets, allowing determination of the local magnetic properties of the individual sites within the dimetallic compounds. CASSCF-SO calculations and INS and far-IR measurements are all employed to further support the identification and modeling of the local electronic structure for each site. EPR spectra of the pure dimetallic compounds are highly featured and correspond to transitions within the lowest-lying exchange-coupled manifold, permitting determination of the highly anisotropic magnetic exchange between the lanthanide ions. We find a unique orientation for the exchange interaction, corresponding to a common elongated oxygen bridge for both isostructural analogs. This suggests a microscopic physical connection to the magnetic superexchange. These results are of fundamental importance for building and validating model microscopic Hamiltonians to understand the origins of magnetic interactions between lanthanides and how they may be controlled with chemistry.

Sensitivity of CO2 storage performance to varying rates and dynamic injectivity in the Bunter Sandstone, UK

NASA Astrophysics Data System (ADS)

Kolster, C.; Mac Dowell, N.; Krevor, S. C.; Agada, S.

2016-12-01

Carbon capture and storage (CCS) is needed for meeting legally binding greenhouse gas emissions targets in the UK (ECCC 2016). Energy systems models have been key to identifying the importance of CCS but they tend to impose few constraints on the availability and use of geologic CO2 storage reservoirs. Our aim is to develop simple models that use dynamic representations of limits on CO2 storage resources. This will allow for a first order representation of the storage reservoir for use in systems models with CCS. We use the ECLIPSE reservoir simulator and a model of the Southern North Sea Bunter Sandstone saline aquifer. We analyse reservoir performance sensitivities to scenarios of varying CO2 injection demand for a future UK low carbon energy market. With 12 injection sites, we compare the impact of injecting at a constant 2MtCO2/year per site and varying this rate by a factor of 1.8 and 0.2 cyclically every 5 and 2.5 years over 50 years of injection. The results show a maximum difference in average reservoir pressure of 3% amongst each case and a similar variation in plume migration extent. This suggests that simplified models can maintain accuracy by using average rates of injection over similar time periods. Meanwhile, by initiating injection at rates limited by pressurization at the wellhead we find that injectivity steadily increases. As a result, dynamic capacity increases. We find that instead of injecting into sites on a need basis, we can strategically inject the CO2 into 6 of the deepest sites increasing injectivity for the first 15 years by 13%. Our results show injectivity as highly dependent on reservoir heterogeneity near the injection site. Injecting 1MTCO2/year into a shallow, low permeability and porosity site instead of into a deep injection site with high permeability and porosity reduces injectivity in the first 5 years by 52%. ECCC. 2016. Future of Carbon Capture and Storage in the UK. UK Parliament House of Commons, Energy and Climate Change Committee, London: The Stationary Office Limited.

A surface hydrology model for regional vector borne disease models

NASA Astrophysics Data System (ADS)

Tompkins, Adrian; Asare, Ernest; Bomblies, Arne; Amekudzi, Leonard

2016-04-01

Small, sun-lit temporary pools that form during the rainy season are important breeding sites for many key mosquito vectors responsible for the transmission of malaria and other diseases. The representation of this surface hydrology in mathematical disease models is challenging, due to their small-scale, dependence on the terrain and the difficulty of setting soil parameters. Here we introduce a model that represents the temporal evolution of the aggregate statistics of breeding sites in a single pond fractional coverage parameter. The model is based on a simple, geometrical assumption concerning the terrain, and accounts for the processes of surface runoff, pond overflow, infiltration and evaporation. Soil moisture, soil properties and large-scale terrain slope are accounted for using a calibration parameter that sets the equivalent catchment fraction. The model is calibrated and then evaluated using in situ pond measurements in Ghana and ultra-high (10m) resolution explicit simulations for a village in Niger. Despite the model's simplicity, it is shown to reproduce the variability and mean of the pond aggregate water coverage well for both locations and validation techniques. Example malaria simulations for Uganda will be shown using this new scheme with a generic calibration setting, evaluated using district malaria case data. Possible methods for implementing regional calibration will be briefly discussed.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

NASA Astrophysics Data System (ADS)

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; Davis, J. A.

2018-01-01

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonite edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites ('spillover' effect). A series of U(VI) - Na-montmorillonite batch adsorption experiments was conducted as a function of pH, with variable U(VI), Ca, and dissolved carbonate concentrations. Based on the experimental data, a new type of surface complexation model (SCM) was developed for montmorillonite, that specifically accounts for the spillover effect using the edge surface speciation model by Tournassat et al. (2016a). The SCM allows for a prediction of U(VI) adsorption under varying chemical conditions with a minimum number of fitting parameters, not only for our own experimental results, but also for a number of published data sets. The model agreed well with many of these datasets without introducing a second site type or including the formation of ternary U(VI)-carbonato surface complexes. The model predictions were greatly impacted by utilizing analytical measurements of dissolved inorganic carbon (DIC) concentrations in individual sample solutions rather than assuming solution equilibration with a specific partial pressure of CO2, even when the gas phase was laboratory air. Because of strong aqueous U(VI)-carbonate solution complexes, the measurement of DIC concentrations was even important for systems set up in the 'absence' of CO2, due to low levels of CO2 contamination during the experiment.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Modelling soil water repellency at the daily scale in Portuguese burnt and unburnt eucalypt stands

NASA Astrophysics Data System (ADS)

Nunes, João Pedro; van der Slik, Bart; Marisa Santos, Juliana; Malvar Cortizo, Maruxa; Keizer, Jan Jacob

2014-05-01

Soil water repellency can impact soil hydrology, especially soil wetting. This creates a challenge for hydrological modelling in repellency-prone regions, since current models are generally unable to take it into account. This communication focuses on the development and evaluation of a daily water balance model which takes repellency into account, adapted for eucalypt forest plantations in the north-western Iberian Peninsula. The model was developed and tested using data from three eucalypt stands. Two were burnt in 2005, and the data included bi-weekly measurements of soil moisture and water repellency along a transect, during two years. The third was not burnt, and the data included both weekly measurements of soil water repellency and soil moisture along transects, and continuous measurements of soil moisture at one point, performed for one year between 2011 and 2012. All sites showed low repellency during the wet winter season (although less in the unburnt site, as the winter of 2011/12 was comparatively dry) and high repellency during the dry summer season; this seasonal pattern was strongly related with soil moisture fluctuations. The water balance model was based on the Thornthwaite-Mather method. Interception and tree potential evapotranspiration were estimated using satellite imagery (MODIS NDVI), the first by estimating LAI and applying the Gash interception model, and the second using the SAMIR approach. The model itself was modified by first estimating soil water repellency from soil moisture, using an empirical relation taking into account repellent and non-repellent moisture thresholds for each site; and afterwards using soil water repellency as a limiting factor on soil wettability, by limiting the fraction of infiltration which could replenish soil moisture. Results indicate that this simple approach to simulate repellency can provide adequate model performance and can be easily included in hydrological models.

Testing high resolution numerical models for analysis of contaminant storage and release from low permeability zones.

PubMed

Chapman, Steven W; Parker, Beth L; Sale, Tom C; Doner, Lee Ann

2012-08-01

It is now widely recognized that contaminant release from low permeability zones can sustain plumes long after primary sources are depleted, particularly for chlorinated solvents where regulatory limits are orders of magnitude below source concentrations. This has led to efforts to appropriately characterize sites and apply models for prediction incorporating these effects. A primary challenge is that diffusion processes are controlled by small-scale concentration gradients and capturing mass distribution in low permeability zones requires much higher resolution than commonly practiced. This paper explores validity of using numerical models (HydroGeoSphere, FEFLOW, MODFLOW/MT3DMS) in high resolution mode to simulate scenarios involving diffusion into and out of low permeability zones: 1) a laboratory tank study involving a continuous sand body with suspended clay layers which was 'loaded' with bromide and fluorescein (for visualization) tracers followed by clean water flushing, and 2) the two-layer analytical solution of Sale et al. (2008) involving a relatively simple scenario with an aquifer and underlying low permeability layer. All three models are shown to provide close agreement when adequate spatial and temporal discretization are applied to represent problem geometry, resolve flow fields and capture advective transport in the sands and diffusive transfer with low permeability layers and minimize numerical dispersion. The challenge for application at field sites then becomes appropriate site characterization to inform the models, capturing the style of the low permeability zone geometry and incorporating reasonable hydrogeologic parameters and estimates of source history, for scenario testing and more accurate prediction of plume response, leading to better site decision making. Copyright © 2012 Elsevier B.V. All rights reserved.

Detailed emission profiles for on-road vehicles derived from ambient measurements during a windless traffic episode in Baltimore using a multi-model approach

NASA Astrophysics Data System (ADS)

Ke, Haohao; Ondov, John M.; Rogge, Wolfgang F.

2013-12-01

Composite chemical profiles of motor vehicle emissions were extracted from ambient measurements at a near-road site in Baltimore during a windless traffic episode in November, 2002, using four independent approaches, i.e., simple peak analysis, windless model-based linear regression, PMF, and UNMIX. Although the profiles are in general agreement, the windless-model-based profile treatment more effectively removes interference from non-traffic sources and is deemed to be more accurate for many species. In addition to abundances of routine pollutants (e.g., NOx, CO, PM2.5, EC, OC, sulfate, and nitrate), 11 particle-bound metals and 51 individual traffic-related organic compounds (including n-alkanes, PAHs, oxy-PAHs, hopanes, alkylcyclohexanes, and others) were included in the modeling.

Development of a simplified urban water balance model (WABILA).

PubMed

Henrichs, M; Langner, J; Uhl, M

2016-01-01

During the last decade, water sensitive urban design (WSUD) has become more and more accepted. However, there is not any simple tool or option available to evaluate the influence of these measures on the local water balance. To counteract the impact of new settlements, planners focus on mitigating increases in runoff through installation of infiltration systems. This leads to an increasing non-natural groundwater recharge and decreased evapotranspiration. Simple software tools which evaluate or simulate the effect of WSUD on the local water balance are still needed. The authors developed a tool named WABILA (Wasserbilanz) that could support planners for optimal WSUD. WABILA is an easy-to-use planning tool that is based on simplified regression functions for established measures and land covers. Results show that WSUD has to be site-specific, based on climate conditions and the natural water balance.

Electron acceleration behind a wavy dipolarization front

NASA Astrophysics Data System (ADS)

Wu, Mingyu; Lu, Quanming; Volwerk, Martin; Nakamura, Rumi; Zhang, Tielong

2018-02-01

In this paper, with the in-situ observations from the Time History of Events and Macroscale Interactions during Substorms (THEMIS) probes we report a wavy dipolarization front (DF) event, where the DF has different magnetic structures and electron distributions at different y positions in the Geocentric Solar Magnetospheric (GSM) coordinates. At y ˜2.1RE (RE is the radius of Earth), the DF has a relatively simple structure, which is similar to that of a conventional DF. At y ˜3.0RE, the DF is revealed to have a multiple DF structure, where the plasma exhibits a vortex flow. Such a wavy DF could be the results of the interchange instability. The different structure of such a wavy DF at different sites has a great effect on electron acceleration. Fermi acceleration can occur at the site of the DF with a simple or multiple DF structure, while betatron acceleration as a local process has the contribution to energetic electrons only at the site of the DF with a simple structure.

Multiple scattering of waves in random media: Application to the study of the city-site effect in Mexico City area.

NASA Astrophysics Data System (ADS)

Ishizawa, O. A.; Clouteau, D.

2007-12-01

Long-duration, amplifications and spatial response's variability of the seismic records registered in Mexico City during the September 1985 earthquake cannot only be explained by the soil velocity model. We will try to explain these phenomena by studying the extent of the effect of buildings' diffracted wave fields during an earthquake. The main question is whether the presence of a large number of buildings can significantly modify the seismic wave field. We are interested in the interaction between the incident wave field propagating in a stratified half- space and a large number of structures at the free surface, i.e., the coupled city-site effect. We study and characterize the seismic wave propagation regimes in a city using the theory of wave propagation in random media. In the coupled city-site system, the buildings are modeled as resonant scatterers uniformly distributed at the surface of a deterministic, horizontally layered elastic half-space representing the soil. Based on the mean-field and the field correlation equations, we build a theoretical model which takes into account the multiple scattering of seismic waves and allows us to describe the coupled city-site system behavior in a simple and rapid way. The results obtained for the configurationally averaged field quantities are validated by means of 3D results for the seismic response of a deterministic model. The numerical simulations of this model are computed with MISS3D code based on classical Soil-Structure Interaction techniques and on a variational coupling between Boundary Integral Equations for a layered soil and a modal Finite Element approach for the buildings. This work proposes a detailed numerical and a theoretical analysis of the city-site interaction (CSI) in Mexico City area. The principal parameters in the study of the CSI are the buildings resonant frequency distribution, the soil characteristics of the site, the urban density and position of the buildings in the city, as well as the type of incident wave. The main results of the theoretical and numerical models allow us to characterize the seismic movement in urban areas.

Assigning Quantitative Function to Post-Translational Modifications Reveals Multiple Sites of Phosphorylation That Tune Yeast Pheromone Signaling Output

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

Pincus, David; Ryan, Christopher J.; Smith, Richard D.

2013-03-12

Cell signaling systems transmit information by post-­translationally modifying signaling proteins, often via phosphorylation. While thousands of sites of phosphorylation have been identified in proteomic studies, the vast majority of sites have no known function. Assigning functional roles to the catalog of uncharacterized phosphorylation sites is a key research challenge. Here we present a general approach to address this challenge and apply it to a prototypical signaling pathway, the pheromone response pathway in Saccharomyces cerevisiae. The pheromone pathway includes a mitogen activated protein kinase (MAPK) cascade activated by a G-­protein coupled receptor (GPCR). We used mass spectrometry-based proteomics to identify sitesmore » whose phosphorylation changed when the system was active, and evolutionary conservation to assign priority to a list of candidate MAPK regulatory sites. We made targeted alterations in those sites, and measured the effects of the mutations on pheromone pathway output in single cells. Our work identified six new sites that quantitatively tuned system output. We developed simple computational models to find system architectures that recapitulated the quantitative phenotypes of the mutants. Our results identify a number of regulated phosphorylation events that contribute to adjust the input-­output relationship of this model eukaryotic signaling system. We believe this combined approach constitutes a general means not only to reveal modification sites required to turn a pathway on and off, but also those required for more subtle quantitative effects that tune pathway output. Our results further suggest that relatively small quantitative influences from individual regulatory phosphorylation events endow signaling systems with plasticity that evolution may exploit to quantitatively tailor signaling outcomes.« less

Developing ecologically based PCB, pesticide, and metal remedial goals for an impacted northeast wooded swamp

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

Rury, P.M.; Turton, D.J.

Historically, remedial goals at hazardous waste sites have been developed based on human health risk estimates. As the disciplines of remedial investigation, risk assessment, and remedial design have evolved, there has been a shift toward the development of remedial goals that are protective of both human health and the environment. This has increased the need for sound quantitative ecological risk methodologies from which to derive ecologically protective remedial goals. The foundation of many ecological risk assessment models is the bioconcentration or bioaccumulation factor that estimates the partitioning of the compound of concern between the media (e.g., water, soil, or food)more » and the organism. Simple dietary food-chain models are then used to estimate the dose and resulting risk to higher trophic levels. For a Superfund site that encompassed a northeastern wooded swamp, a PCB pesticide and metal uptake and toxicity study was conducted on the earthworm commonly known as the red wiggler (Eisenea foetida). The study resulted in site-specific sediment to earthworm bioconcentration factors for PCBs and a range of pesticides and metals. In addition, largemouth bass and yellow perch were collected from an impacted pond to identify PCB and pesticide concentrations in mink (Mustela vison) prey. Utilizing the empirical data and site-specific bioconcentration factors in food-chain models, potential risks to the American woodcock (Scolopax minor) and mink were assessed, and ecologically protective PCB, pesticide, and metal remedial goals for the sediments of the wooded swamp were developed.« less

Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site

PubMed Central

Sigala, Paul A.; Fafarman, Aaron T.; Schwans, Jason P.; Fried, Stephen D.; Fenn, Timothy D.; Caaveiro, Jose M. M.; Pybus, Brandon; Ringe, Dagmar; Petsko, Gregory A.; Boxer, Steven G.; Herschlag, Daniel

2013-01-01

Hydrogen bond networks are key elements of protein structure and function but have been challenging to study within the complex protein environment. We have carried out in-depth interrogations of the proton transfer equilibrium within a hydrogen bond network formed to bound phenols in the active site of ketosteroid isomerase. We systematically varied the proton affinity of the phenol using differing electron-withdrawing substituents and incorporated site-specific NMR and IR probes to quantitatively map the proton and charge rearrangements within the network that accompany incremental increases in phenol proton affinity. The observed ionization changes were accurately described by a simple equilibrium proton transfer model that strongly suggests the intrinsic proton affinity of one of the Tyr residues in the network, Tyr16, does not remain constant but rather systematically increases due to weakening of the phenol–Tyr16 anion hydrogen bond with increasing phenol proton affinity. Using vibrational Stark spectroscopy, we quantified the electrostatic field changes within the surrounding active site that accompany these rearrangements within the network. We were able to model these changes accurately using continuum electrostatic calculations, suggesting a high degree of conformational restriction within the protein matrix. Our study affords direct insight into the physical and energetic properties of a hydrogen bond network within a protein interior and provides an example of a highly controlled system with minimal conformational rearrangements in which the observed physical changes can be accurately modeled by theoretical calculations. PMID:23798390

Strong ground motion simulation of the 2016 Kumamoto earthquake of April 16 using multiple point sources

NASA Astrophysics Data System (ADS)

Nagasaka, Yosuke; Nozu, Atsushi

2017-02-01

The pseudo point-source model approximates the rupture process on faults with multiple point sources for simulating strong ground motions. A simulation with this point-source model is conducted by combining a simple source spectrum following the omega-square model with a path spectrum, an empirical site amplification factor, and phase characteristics. Realistic waveforms can be synthesized using the empirical site amplification factor and phase models even though the source model is simple. The Kumamoto earthquake occurred on April 16, 2016, with M JMA 7.3. Many strong motions were recorded at stations around the source region. Some records were considered to be affected by the rupture directivity effect. This earthquake was suitable for investigating the applicability of the pseudo point-source model, the current version of which does not consider the rupture directivity effect. Three subevents (point sources) were located on the fault plane, and the parameters of the simulation were determined. The simulated results were compared with the observed records at K-NET and KiK-net stations. It was found that the synthetic Fourier spectra and velocity waveforms generally explained the characteristics of the observed records, except for underestimation in the low frequency range. Troughs in the observed Fourier spectra were also well reproduced by placing multiple subevents near the hypocenter. The underestimation is presumably due to the following two reasons. The first is that the pseudo point-source model targets subevents that generate strong ground motions and does not consider the shallow large slip. The second reason is that the current version of the pseudo point-source model does not consider the rupture directivity effect. Consequently, strong pulses were not reproduced enough at stations northeast of Subevent 3 such as KMM004, where the effect of rupture directivity was significant, while the amplitude was well reproduced at most of the other stations. This result indicates the necessity for improving the pseudo point-source model, by introducing azimuth-dependent corner frequency for example, so that it can incorporate the effect of rupture directivity.[Figure not available: see fulltext.

Local environments and transport properties of heavily doped strontium barium niobates Sr0.5Ba0.5Nb2O6

NASA Astrophysics Data System (ADS)

Ottini, Riccardo; Tealdi, Cristina; Tomasi, Corrado; Tredici, Ilenia G.; Soffientini, Alessandro; Burriel, Ramón; Palacios, Elías; Castro, Miguel; Anselmi-Tamburini, Umberto; Ghigna, Paolo; Spinolo, Giorgio

2018-02-01

Undoped as well as K-doped (40%), Y-doped (40%), Zr-doped (10%), and Mo-doped (12.5%) strontium barium niobate Sr0.5Ba0.5Nb2O6 (SBN50) materials have been investigated to explore the effect of heavy doping on the structural and functional properties (thermo-power, thermal and electrical conductivities) both in the as prepared (oxidized) and reduced states. For all materials, the EXAFS spectra at the Nb - K edge can be consistently analyzed with the same model of six shells around the Nb sites. Doping mostly gives a simple size effect on the structural parameters, but doping on the Nb sites weakens the Nb-O bond regardless of dopant size and charge. Shell sizes and Debye-Waller factors are almost unaffected by temperature and oxidation state, and the disorder is of static nature. The functional effects of heavy doping do not agree with a simple model of hole or electron injection by aliovalent substitutions on a large band gap semiconductor. With respect to the undoped samples, doping with Mo depresses the thermal conductivity by 30%, Y doping enhances the electrical conductivity by an order of magnitude, while Zr doping increases the Seebeck coefficient by a factor of 2-3. Globally, the ZT efficiency factor of the K-, Y-, and Zr-doped samples is enhanced at least by one order of magnitude with respect to the undoped or Mo-doped materials.

Designing Hydrolytic Zinc Metalloenzymes

PubMed Central

2015-01-01

Zinc is an essential element required for the function of more than 300 enzymes spanning all classes. Despite years of dedicated study, questions regarding the connections between primary and secondary metal ligands and protein structure and function remain unanswered, despite numerous mechanistic, structural, biochemical, and synthetic model studies. Protein design is a powerful strategy for reproducing native metal sites that may be applied to answering some of these questions and subsequently generating novel zinc enzymes. From examination of the earliest design studies introducing simple Zn(II)-binding sites into de novo and natural protein scaffolds to current studies involving the preparation of efficient hydrolytic zinc sites, it is increasingly likely that protein design will achieve reaction rates previously thought possible only for native enzymes. This Current Topic will review the design and redesign of Zn(II)-binding sites in de novo-designed proteins and native protein scaffolds toward the preparation of catalytic hydrolytic sites. After discussing the preparation of Zn(II)-binding sites in various scaffolds, we will describe relevant examples for reengineering existing zinc sites to generate new or altered catalytic activities. Then, we will describe our work on the preparation of a de novo-designed hydrolytic zinc site in detail and present comparisons to related designed zinc sites. Collectively, these studies demonstrate the significant progress being made toward building zinc metalloenzymes from the bottom up. PMID:24506795

Quantification of pathogen inactivation efficacy by free chlorine disinfection of drinking water for QMRA.

PubMed

Petterson, S R; Stenström, T A

2015-09-01

To support the implementation of quantitative microbial risk assessment (QMRA) for managing infectious risks associated with drinking water systems, a simple modeling approach for quantifying Log10 reduction across a free chlorine disinfection contactor was developed. The study was undertaken in three stages: firstly, review of the laboratory studies published in the literature; secondly, development of a conceptual approach to apply the laboratory studies to full-scale conditions; and finally implementation of the calculations for a hypothetical case study system. The developed model explicitly accounted for variability in residence time and pathogen specific chlorine sensitivity. Survival functions were constructed for a range of pathogens relying on the upper bound of the reported data transformed to a common metric. The application of the model within a hypothetical case study demonstrated the importance of accounting for variable residence time in QMRA. While the overall Log10 reduction may appear high, small parcels of water with short residence time can compromise the overall performance of the barrier. While theoretically simple, the approach presented is of great value for undertaking an initial assessment of a full-scale disinfection contactor based on limited site-specific information.

Role of community tolerance level (CTL) in predicting the prevalence of the annoyance of road and rail noise.

PubMed

Schomer, Paul; Mestre, Vincent; Fidell, Sanford; Berry, Bernard; Gjestland, Truls; Vallet, Michel; Reid, Timothy

2012-04-01

Fidell et al. [(2011), J. Acoust. Soc. Am. 130(2), 791-806] have shown (1) that the rate of growth of annoyance with noise exposure reported in attitudinal surveys of the annoyance of aircraft noise closely resembles the exponential rate of change of loudness with sound level, and (2) that the proportion of a community highly annoyed and the variability in annoyance prevalence rates in communities are well accounted for by a simple model with a single free parameter: a community tolerance level (abbreviated CTL, and represented symbolically in mathematical expressions as L(ct)), expressed in units of DNL. The current study applies the same modeling approach to predicting the prevalence of annoyance of road traffic and rail noise. The prevalence of noise-induced annoyance of all forms of transportation noise is well accounted for by a simple, loudness-like exponential function with community-specific offsets. The model fits all of the road traffic findings well, but the prevalence of annoyance due to rail noise is more accurately predicted separately for interviewing sites with and without high levels of vibration and/or rattle.

Measurements of PANs during the New England Air Quality Study 2002

NASA Astrophysics Data System (ADS)

Roberts, J. M.; Marchewka, M.; Bertman, S. B.; Sommariva, R.; Warneke, C.; de Gouw, J.; Kuster, W.; Goldan, P.; Williams, E.; Lerner, B. M.; Murphy, P.; Fehsenfeld, F. C.

2007-10-01

Measurements of peroxycarboxylic nitric anhydrides (PANs) were made during the New England Air Quality Study 2002 cruise of the NOAA RV Ronald H Brown. The four compounds observed, PAN, peroxypropionic nitric anhydride (PPN), peroxymethacrylic nitric anhydride (MPAN), and peroxyisobutyric nitric anhydride (PiBN) were compared with results from other continental and Gulf of Maine sites. Systematic changes in PPN/PAN ratio, due to differential thermal decomposition rates, were related quantitatively to air mass aging. At least one early morning period was observed when O3 seemed to have been lost probably due to NO3 and N2O5 chemistry. The highest O3 episode was observed in the combined plume of isoprene sources and anthropogenic volatile organic compounds (VOCs) and NOx sources from the greater Boston area. A simple linear combination model showed that the organic precursors leading to elevated O3 were roughly half from the biogenic and half from anthropogenic VOC regimes. An explicit chemical box model confirmed that the chemistry in the Boston plume is well represented by the simple linear combination model. This degree of biogenic hydrocarbon involvement in the production of photochemical ozone has significant implications for air quality control strategies in this region.

Formal Features of Cyberspace: Relationships between Web Page Complexity and Site Traffic.

ERIC Educational Resources Information Center

Bucy, Erik P.; Lang, Annie; Potter, Robert F.; Grabe, Maria Elizabeth

1999-01-01

Examines differences between the formal features of commercial versus noncommercial Web sites, and the relationship between Web page complexity and amount of traffic a site receives. Findings indicate that, although most pages in this stage of the Web's development remain technologically simple and noninteractive, there are significant…

A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

DOE PAGES

Pau, G. S. H.; Bisht, G.; Riley, W. J.

2014-09-17

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

An improved cost-effective, reproducible method for evaluation of bone loss in a rodent model.

PubMed

Fine, Daniel H; Schreiner, Helen; Nasri-Heir, Cibele; Greenberg, Barbara; Jiang, Shuying; Markowitz, Kenneth; Furgang, David

2009-02-01

This study was designed to investigate the utility of two "new" definitions for assessment of bone loss in a rodent model of periodontitis. Eighteen rats were divided into three groups. Group 1 was infected by Aggregatibacter actinomycetemcomitans (Aa), group 2 was infected with an Aa leukotoxin knock-out, and group 3 received no Aa (controls). Microbial sampling and antibody titres were determined. Initially, two examiners measured the distance from the cemento-enamel-junction to alveolar bone crest using the three following methods; (1) total area of bone loss by radiograph, (2) linear bone loss by radiograph, (3) a direct visual measurement (DVM) of horizontal bone loss. Two "new" definitions were adopted; (1) any site in infected animals showing bone loss >2 standard deviations above the mean seen at that site in control animals was recorded as bone loss, (2) any animal with two or more sites in any quadrant affected by bone loss was considered as diseased. Using the "new" definitions both evaluators independently found that infected animals had significantly more disease than controls (DVM system; p<0.05). The DVM method provides a simple, cost effective, and reproducible method for studying periodontal disease in rodents.

Transcolonic Perirectal NOTES Access (PNA): A feasibility study with survival in swine model.

PubMed

Oliveira, André L A; Zorron, Ricardo; Oliveira, Flavio M M DE; Santos, Marcelo B Dos; Scheffer, Jussara P; Rios, Marcelo; Antunes, Fernanda

2017-05-01

Transrectal access still has some unsolved issues such as spatial orientation, infection, access and site closure. This study presents a simple technique to perform transcolonic access with survival in a swine model series. A new technique for NOTES perirectal access to perform retroperitoneoscopy, peritoneoscopy, liver and lymphnode biopsies was performed in 6 pigs, using Totally NOTES technique. The specimens were extracted transanally. The flexible endoscope was inserted through a posterior transmural incision and the retrorectal space. Cultures of bacteria were documented for the retroperitoneal space and intra abdominal cavity after 14 days. Rectal site was closed using non-absorbable sutures. There was no bowel cleansing, nor preoperative fasting. The procedures were performed in 6 pigs through transcolonic natural orifice access using available endoscopic flexible instruments. All animals survived 14 days without complications, and cultures were negative. Histopathologic examination of the rectal closure site showed adequate healing of suture line and no micro abscesses. The results of feasibility and safety of experimental Transcolonic NOTES potentially brings new frontiers and future wider applications for minimally invasive surgery. The treatment of colorectal, abdominal and retroperitoneal diseases through a flexible Perirectal NOTES Access (PNA) is a promising new approach.

A lattice model for influenza spreading.

PubMed

Liccardo, Antonella; Fierro, Annalisa

2013-01-01

We construct a stochastic SIR model for influenza spreading on a D-dimensional lattice, which represents the dynamic contact network of individuals. An age distributed population is placed on the lattice and moves on it. The displacement from a site to a nearest neighbor empty site, allows individuals to change the number and identities of their contacts. The dynamics on the lattice is governed by an attractive interaction between individuals belonging to the same age-class. The parameters, which regulate the pattern dynamics, are fixed fitting the data on the age-dependent daily contact numbers, furnished by the Polymod survey. A simple SIR transmission model with a nearest neighbors interaction and some very basic adaptive mobility restrictions complete the model. The model is validated against the age-distributed Italian epidemiological data for the influenza A(H1N1) during the [Formula: see text] season, with sensible predictions for the epidemiological parameters. For an appropriate topology of the lattice, we find that, whenever the accordance between the contact patterns of the model and the Polymod data is satisfactory, there is a good agreement between the numerical and the experimental epidemiological data. This result shows how rich is the information encoded in the average contact patterns of individuals, with respect to the analysis of the epidemic spreading of an infectious disease.

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

Snelson, C. M., Chipman, V. D., White, R. L., Emmitt, R. F., Townsend, M. J., Barker, D., Lee, P.

Understanding the changes in seismic energy as it travels from the near field to the far field is the ultimate goal in monitoring for explosive events of interest. This requires a clear understanding of explosion phenomenology as it relates to seismic, infrasound, and acoustic signals. Although there has been much progress in modeling these phenomena, this has been primarily based in the empirical realm. As a result, the logical next step in advancing the seismic monitoring capability of the United States is to conduct field tests that can expand the predictive capability of the physics-based modeling currently under development. Themore » Source Physics Experiment at the Nevada National Security Site (SPE-N) is the first step in this endeavor to link the empirically based with the physics-based modeling. This is a collaborative project between National Security Technologies (NSTec), Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), the Defense Threat Reduction Agency (DTRA), and the Air Force Technical Applications Center (AFTAC). The test series require both the simple and complex cases to fully characterize the problem, which is to understand the transition of seismic energy from the near field to the far field; to understand the development of S-waves in explosives sources; and how anisotropy controls seismic energy transmission and partitioning. The current series is being conducted in a granite body called the Climax Stock. This location was chosen for several reasons, including the fairly homogenous granite; the location of previous nuclear tests in the same rock body; and generally the geology has been well characterized. The simple geology series is planned for 7 shots using conventional explosives in the same shot hole surrounded by Continuous Reflectometry for Radius vs. Time Experiment (CORRTEX), Time of Arrival (TOA), Velocity of Detonation (VOD), down-hole accelerometers, surface accelerometers, infrasound, and a suite of seismic sensors of various frequency bands from the near field to the far field. This allows for the use of a single test bed in the simple geology case instead of multiple tests beds to obtain the same results. The shots are planned at various depths to obtain a Green’s function, scaled-depth of burial data, nominal depth of burial data and damage zone data. SPE1-N was conducted in May 2011 as a 220 lb (100 kg) TNT equivalent calibration shot at a depth of 180 ft (55 m). SPE2-N was conducted in October 2011 as a 2200 lb (1000 kg) TNT equivalent calibration shot at a depth of 150 ft (46 m). SPE3-N was conducted in July 2012 as a 2200 lb (1000 kg) TNT equivalent calibration shot at a depth of 150 ft (46 m) in the damaged zone. Over 400 data channels were recorded for each of these shots and data recovery was about 95% with high signal to noise ratio. Once the simple geology site data has been utilized, a new test bed will be developed in a complex geology site to test these physics based models. Ultimately, the results from this project will provide the next advances in the science of monitoring to enable a physics-based predicative capability.« less

Evaluating simplified methods for liquefaction assessment for loss estimation

NASA Astrophysics Data System (ADS)

Kongar, Indranil; Rossetto, Tiziana; Giovinazzi, Sonia

2017-06-01

Currently, some catastrophe models used by the insurance industry account for liquefaction by applying a simple factor to shaking-induced losses. The factor is based only on local liquefaction susceptibility and this highlights the need for a more sophisticated approach to incorporating the effects of liquefaction in loss models. This study compares 11 unique models, each based on one of three principal simplified liquefaction assessment methods: liquefaction potential index (LPI) calculated from shear-wave velocity, the HAZUS software method and a method created specifically to make use of USGS remote sensing data. Data from the September 2010 Darfield and February 2011 Christchurch earthquakes in New Zealand are used to compare observed liquefaction occurrences to forecasts from these models using binary classification performance measures. The analysis shows that the best-performing model is the LPI calculated using known shear-wave velocity profiles, which correctly forecasts 78 % of sites where liquefaction occurred and 80 % of sites where liquefaction did not occur, when the threshold is set at 7. However, these data may not always be available to insurers. The next best model is also based on LPI but uses shear-wave velocity profiles simulated from the combination of USGS VS30 data and empirical functions that relate VS30 to average shear-wave velocities at shallower depths. This model correctly forecasts 58 % of sites where liquefaction occurred and 84 % of sites where liquefaction did not occur, when the threshold is set at 4. These scores increase to 78 and 86 %, respectively, when forecasts are based on liquefaction probabilities that are empirically related to the same values of LPI. This model is potentially more useful for insurance since the input data are publicly available. HAZUS models, which are commonly used in studies where no local model is available, perform poorly and incorrectly forecast 87 % of sites where liquefaction occurred, even at optimal thresholds. This paper also considers two models (HAZUS and EPOLLS) for estimation of the scale of liquefaction in terms of permanent ground deformation but finds that both models perform poorly, with correlations between observations and forecasts lower than 0.4 in all cases. Therefore these models potentially provide negligible additional value to loss estimation analysis outside of the regions for which they have been developed.

Theoretical study on interaction of cytochrome f and plastocyanin complex by a simple coarse-grained model with molecular crowding effect

NASA Astrophysics Data System (ADS)

Nakagawa, Satoshi; Kurniawan, Isman; Kodama, Koichi; Arwansyah, Muhammad Saleh; Kawaguchi, Kazutomo; Nagao, Hidemi

2018-03-01

We present a simple coarse-grained model with the molecular crowding effect in solvent to investigate the structure and dynamics of protein complexes including association and/or dissociation processes and investigate some physical properties such as the structure and the reaction rate from the viewpoint of the hydrophobic intermolecular interactions of protein complex. In the present coarse-grained model, a function depending upon the density of hydrophobic amino acid residues in a binding area of the complex is introduced, and the function involves the molecular crowding effect for the intermolecular interactions of hydrophobic amino acid residues between proteins. We propose a hydrophobic intermolecular potential energy between proteins by using the density-dependent function. The present coarse-grained model is applied to the complex of cytochrome f and plastocyanin by using the Langevin dynamics simulation to investigate some physical properties such as the complex structure, the electron transfer reaction rate constant from plastocyanin to cytochrome f and so on. We find that for proceeding the electron transfer reaction, the distance between metals in their active sites is necessary within about 18 Å. We discuss some typical complex structures formed in the present simulation in relation to the molecular crowding effect on hydrophobic interactions.

The 'cube' meta-model for the information system of large health sector organizations--a (platform neutral) mapping tool to integrate information system development with changing business functions and organizational development.

PubMed

Balkányi, László

2002-01-01

To develop information systems (IS) in the changing environment of the health sector, a simple but throughout model, avoiding the techno-jargon of informatics, might be useful for the top management. A platform neutral, extensible, transparent conceptual model should be established. Limitations of current methods lead to a simple, but comprehensive mapping, in the form of a three-dimensional cube. The three 'orthogonal' views are (a) organization functionality, (b) organizational structures and (c) information technology. Each of the cube-sides is described according to its nature. This approach enables to define any kind of an IS component as a certain point/layer/domain of the cube and enables also the management to label all IS components independently form any supplier(s) and/or any specific platform. The model handles changes in organization structure, business functionality and the serving info-system independently form each other. Practical application extends to (a) planning complex, new ISs, (b) guiding development of multi-vendor, multi-site ISs, (c) supporting large-scale public procurement procedures and the contracting, implementation phase by establishing a platform neutral reference, (d) keeping an exhaustive inventory of an existing large-scale system, that handles non-tangible aspects of the IS.

SU-F-R-33: Can CT and CBCT Be Used Simultaneously for Radiomics Analysis

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

Luo, R; Wang, J; Zhong, H

2016-06-15

Purpose: To investigate whether CBCT and CT can be used in radiomics analysis simultaneously. To establish a batch correction method for radiomics in two similar image modalities. Methods: Four sites including rectum, bladder, femoral head and lung were considered as region of interest (ROI) in this study. For each site, 10 treatment planning CT images were collected. And 10 CBCT images which came from same site of same patient were acquired at first radiotherapy fraction. 253 radiomics features, which were selected by our test-retest study at rectum cancer CT (ICC>0.8), were calculated for both CBCT and CT images in MATLAB.more » Simple scaling (z-score) and nonlinear correction methods were applied to the CBCT radiomics features. The Pearson Correlation Coefficient was calculated to analyze the correlation between radiomics features of CT and CBCT images before and after correction. Cluster analysis of mixed data (for each site, 5 CT and 5 CBCT data are randomly selected) was implemented to validate the feasibility to merge radiomics data from CBCT and CT. The consistency of clustering result and site grouping was verified by a chi-square test for different datasets respectively. Results: For simple scaling, 234 of the 253 features have correlation coefficient ρ>0.8 among which 154 features haveρ>0.9 . For radiomics data after nonlinear correction, 240 of the 253 features have ρ>0.8 among which 220 features have ρ>0.9. Cluster analysis of mixed data shows that data of four sites was almost precisely separated for simple scaling(p=1.29 * 10{sup −7}, χ{sup 2} test) and nonlinear correction (p=5.98 * 10{sup −7}, χ{sup 2} test), which is similar to the cluster result of CT data (p=4.52 * 10{sup −8}, χ{sup 2} test). Conclusion: Radiomics data from CBCT can be merged with those from CT by simple scaling or nonlinear correction for radiomics analysis.« less

Motion of spin label side chains in cellular retinol-binding protein: correlation with structure and nearest-neighbor interactions in an antiparallel beta-sheet.

PubMed

Lietzow, Michael A; Hubbell, Wayne L

2004-03-23

A goal in the development of site-directed spin labeling in proteins is to correlate the motion of a nitroxide side chain with local structure, interactions, and dynamics. Significant progress toward this goal has been made using alpha-helical proteins of known structure, and the present study is the first step in a similar exploration of a beta-sheet protein, cellular retinol-binding protein (CRBP). Nitroxide side chains were introduced along both interior and edge strands. At sites in interior strands, the side-chain motion is strongly influenced by interactions with side chains of neighboring strands, giving rise to a rich variety of dynamic modes (weakly ordered, strongly ordered, immobilized) and complex electron paramagnetic resonance spectra that are modulated by strand twist. The interactions giving rise to the dynamic modes are explored using mutagenesis, and the results demonstrate the particular importance of the non-hydrogen-bonded neighbor residue in giving rise to highly ordered states. Along edge strands of the beta-sheet, the motion of the side chain is simple and weakly ordered, resembling that at solvent-exposed surfaces of an alpha-helix. A simple working model is proposed that can account for the wide variety of dynamic modes encountered. Collectively, the results suggest that the nitroxide side chain is an effective probe of side-chain interactions, and that site-directed spin labeling should be a powerful means of monitoring conformational changes that involve changes in beta-sheet topology.

Simulation of Sentinel-2A Red Edge Bands with RPAS Based Multispectral Data

NASA Astrophysics Data System (ADS)

Davids, Corine; Storvold, Rune; Haarpaintner, Jorg; Arnason, Kolbeinn

2016-08-01

Very high spatial and spectral resolution multispectral data was collected over the Hallormstađur test site in eastern Iceland using a fixed wing remotely piloted aerial system as part of the EU FP7 project North State (www.northstatefp7.eu). The North State project uses forest variable estimates derived from optical and radar satellite data as either input or validation for carbon flux models. The RPAS data from the Hallormsstađur forest test site in Iceland is here used to simulate Landsat and Sentinel-2A data and to explore the advantages of the new Sentinel-2A red edge bands for forest vegetation mapping. Simple supervised classification shows that the inclusion of the red edge bands improves the tree species classification considerably.

Modelling hurricane exposure and wind speed on a mesoclimate scale: a case study from Cusuco NP, Honduras.

PubMed

Batke, Sven P; Jocque, Merlijn; Kelly, Daniel L

2014-01-01

High energy weather events are often expected to play a substantial role in biotic community dynamics and large scale diversity patterns but their contribution is hard to prove. Currently, observations are limited to the documentation of accidental records after the passing of such events. A more comprehensive approach is synthesising weather events in a location over a long time period, ideally at a high spatial resolution and on a large geographic scale. We provide a detailed overview on how to generate hurricane exposure data at a meso-climate level for a specific region. As a case study we modelled landscape hurricane exposure in Cusuco National Park (CNP), Honduras with a resolution of 50 m×50 m patches. We calculated actual hurricane exposure vulnerability site scores (EVVS) through the combination of a wind pressure model, an exposure model that can incorporate simple wind dynamics within a 3-dimensional landscape and the integration of historical hurricanes data. The EVSS was calculated as a weighted function of sites exposure, hurricane frequency and maximum wind velocity. Eleven hurricanes were found to have affected CNP between 1995 and 2010. The highest EVSS's were predicted to be on South and South-East facing sites of the park. Ground validation demonstrated that the South-solution (i.e. the South wind inflow direction) explained most of the observed tree damage (90% of the observed tree damage in the field). Incorporating historical data to the model to calculate actual hurricane exposure values, instead of potential exposure values, increased the model fit by 50%.

Modelling Hurricane Exposure and Wind Speed on a Mesoclimate Scale: A Case Study from Cusuco NP, Honduras

PubMed Central

Batke, Sven P.; Jocque, Merlijn; Kelly, Daniel L.

2014-01-01

High energy weather events are often expected to play a substantial role in biotic community dynamics and large scale diversity patterns but their contribution is hard to prove. Currently, observations are limited to the documentation of accidental records after the passing of such events. A more comprehensive approach is synthesising weather events in a location over a long time period, ideally at a high spatial resolution and on a large geographic scale. We provide a detailed overview on how to generate hurricane exposure data at a meso-climate level for a specific region. As a case study we modelled landscape hurricane exposure in Cusuco National Park (CNP), Honduras with a resolution of 50 m×50 m patches. We calculated actual hurricane exposure vulnerability site scores (EVVS) through the combination of a wind pressure model, an exposure model that can incorporate simple wind dynamics within a 3-dimensional landscape and the integration of historical hurricanes data. The EVSS was calculated as a weighted function of sites exposure, hurricane frequency and maximum wind velocity. Eleven hurricanes were found to have affected CNP between 1995 and 2010. The highest EVSS’s were predicted to be on South and South-East facing sites of the park. Ground validation demonstrated that the South-solution (i.e. the South wind inflow direction) explained most of the observed tree damage (90% of the observed tree damage in the field). Incorporating historical data to the model to calculate actual hurricane exposure values, instead of potential exposure values, increased the model fit by 50%. PMID:24614168

A high-resolution conceptual model for diffuse organic micropollutant loads in streams

NASA Astrophysics Data System (ADS)

Stamm, Christian; Honti, Mark; Ghielmetti, Nico

2013-04-01

The ecological state of surface waters has become the dominant aspect in water quality assessments. Toxicity is a key determinant of the ecological state, but organic micropollutants (OMP) are seldom monitored with the same spatial and temporal frequency as for example nutrients, mainly due the demanding analytical methods and costs. However, diffuse transport pathways are at least equally complex for OMPs as for nutrients and there are still significant knowledge gaps. Moreover, concentrations of the different compounds would need to be known with fairly high temporal resolution because acute toxicity can be as important as the chronic one. Fully detailed mechanistic models of diffuse OMP loads require an immense set of site-specific knowledge and are rarely applicable for catchments lacking an exceptional monitoring coverage. Simple empirical methods are less demanding but usually work with more temporal aggregation and that's why they have limited possibilities to support the estimation of the ecological state. This study presents a simple conceptual model that aims to simulate the concentrations of selected organic micropollutants with daily resolution at 11 locations in the stream network of a small catchment (46 km2). The prerequisite is a known hydrological and meteorological background (daily discharge, precipitation and air temperature time series), a land use map and some historic measurements of the desired compounds. The model is conceptual in the sense that all important diffuse transport pathways are simulated separately, but each with a simple empirical process rate. Consequently, some site-specific observations are required to calibrate the model, but afterwards the model can be used for forecasting and scenario analysis as the calibrated process rates typically describe invariant properties of the catchment. We simulated 6 different OMPs from the categories of agricultural and urban pesticides and urban biocides. The application of agricultural pesticides was also simulated with the model using a heat-sum approach. Calibration was carried out with weekly aggregated samples covering the growing season in 2 years. The model could reproduce the observed OMP concentrations with varying success. Compounds that are less persistent in the environment and thus have a dominant temporal dynamics (pesticides with a short half-life) could be simulated in general better than the persistent ones. For the latter group the relatively stable available stock meant that there were no clear seasonal dynamics, which revealed that transport processes are quite uncertain even when daily rainfall is used as the main driver. Nevertheless the daily concentration distribution could still be simulated with higher accuracy than the individual peaks. Thus we can model the concentration-duration relationship for daily resolution in an acceptable way for each compound.

Simple model of sickle hemogloblin

NASA Astrophysics Data System (ADS)

Shiryayev, Andrey; Li, Xiaofei; Gunton, J. D.

2006-07-01

A microscopic model is proposed for the interactions between sickle hemoglobin molecules based on information from the protein data bank. A solution of this model, however, requires accurate estimates of the interaction parameters which are currently unavailable. Therefore, as a first step toward a molecular understanding of the nucleation mechanisms in sickle hemoglobin, a Monte Carlo simulation of a simplified two patch model is carried out. A gradual transition from monomers to one dimensional chains is observed as one varies the density of molecules at fixed temperature, somewhat similar to the transition from monomers to polymer fibers in sickle hemoglobin molecules in solution. An observed competition between chain formation and crystallization for the model is also discussed. The results of the simulation of the equation of state are shown to be in excellent agreement with a theory for a model of globular proteins, for the case of two interacting sites.

Anomalous bulk behavior in the free parafermion Z (N ) spin chain

NASA Astrophysics Data System (ADS)

Alcaraz, Francisco C.; Batchelor, Murray T.

2018-06-01

We demonstrate using direct numerical diagonalization and extrapolation methods that boundary conditions have a profound effect on the bulk properties of a simple Z (N ) model for N ≥3 for which the model Hamiltonian is non-Hermitian. For N =2 the model reduces to the well-known quantum Ising model in a transverse field. For open boundary conditions, the Z (N ) model is known to be solved exactly in terms of free parafermions. Once the ends of the open chain are connected by considering the model on a ring, the bulk properties, including the ground-state energy per site, are seen to differ dramatically with increasing N . Other properties, such as the leading finite-size corrections to the ground-state energy, the mass gap exponent, and the specific-heat exponent, are also seen to be dependent on the boundary conditions. We speculate that this anomalous bulk behavior is a topological effect.

Photoperiodic controls on ecosystem-level photosynthetic capacity

NASA Astrophysics Data System (ADS)

Stoy, P. C.; Trowbridge, A. M.; Bauerle, W.

2012-12-01

Most models of photosynthesis at the leaf or canopy level assume that temperature is the dominant control on the variability of photosynthetic parameters. Recent studies, however, have found that photoperiod is a better descriptor of the seasonal variability of photosynthetic function at the leaf and plant scale, and that spectral indices of leaf functionality are poor descriptors of this seasonality. We explored the variability of photosynthesic parameters at the ecosystem scale using over 100 site-years of air temperature and gross primary productivity (GPP) data from non-tropical forested sites in the Free/Fair Use LaThuille FLUXNET database (www.fluxdata.org), excluding sites that were classified as dry and/or with savanna vegetation, where we expected GPP to be driven by moisture availability. Both GPP and GPP normalized by daily photosynthetic photon flux density (GPPn) were considered, and photoperiod was calculated from eddy covariance tower coordinates. We performed a Granger causality analysis, a method based on the understanding that causes precede effects, on both the GPP and GPPn. Photoperiod Granger-caused GPP (GPPn) in 95% (87%) of all site-years. While temperature Granger-caused GPP in a mere 23% of site years, it Granger-caused GPPn 73% of the time. Both temperature values are significantly less than the percent of cases in which day length Granger-caused GPP (p<0.05, Student's t-test). An inverse analysis was performed for completeness, and it was found that GPP Granger-caused photoperiod (temperature) in 39% (78%) of all site years. Results demonstrate that incorporating simple photoperiod controls may be a logical step in improving ecosystem and global model output.

Research of diagnosis sensors fault based on correlation analysis of the bridge structural health monitoring system

NASA Astrophysics Data System (ADS)

Hu, Shunren; Chen, Weimin; Liu, Lin; Gao, Xiaoxia

2010-03-01

Bridge structural health monitoring system is a typical multi-sensor measurement system due to the multi-parameters of bridge structure collected from the monitoring sites on the river-spanning bridges. Bridge structure monitored by multi-sensors is an entity, when subjected to external action; there will be different performances to different bridge structure parameters. Therefore, the data acquired by each sensor should exist countless correlation relation. However, complexity of the correlation relation is decided by complexity of bridge structure. Traditionally correlation analysis among monitoring sites is mainly considered from physical locations. unfortunately, this method is so simple that it cannot describe the correlation in detail. The paper analyzes the correlation among the bridge monitoring sites according to the bridge structural data, defines the correlation of bridge monitoring sites and describes its several forms, then integrating the correlative theory of data mining and signal system to establish the correlation model to describe the correlation among the bridge monitoring sites quantificationally. Finally, The Chongqing Mashangxi Yangtze river bridge health measurement system is regards as research object to diagnosis sensors fault, and simulation results verify the effectiveness of the designed method and theoretical discussions.

Evidence of coupled carbon and iron cycling at a hydrocarbon-contaminated site from time lapse magnetic susceptibility

USGS Publications Warehouse

Lund, Anders L.; Slater, Lee D.; Atekwana, Estella A.; Ntarlagiannis, Dimitrios; Cozzarelli, Isabelle M.; Bekins, Barbara A.

2017-01-01

Conventional characterization and monitoring of hydrocarbon (HC) pollution is often expensive and time-consuming. Magnetic susceptibility (MS) has been proposed as an inexpensive, long-term monitoring proxy of the degradation of HC. We acquired repeated down hole MS logging data in boreholes at a HC-contaminated field research site in Bemidji, MN, USA. The MS data were analyzed in conjunction with redox conditions and iron availability within the source zone to better assess whether MS can serve as a proxy for monitoring HC contamination in unconsolidated sediments. The MS response at the site diminished during the sampling period, which was found to coincide with depletion of solid phase iron in the source zone. Previous geochemical observations and modeling at the site suggest that the most likely cause of the decrease in MS is the transformation of magnetite to siderite, coupled with the exhaustion of ferrihydrite. Although the temporal MS response at this site gives valuable field-scale evidence for changing conditions of iron cycling and stability of iron minerals it does not provide a simple proxy for long-term monitoring of biodegradation of hydrocarbons in the smear zone.

Estimating population exposure to ambient polycyclic aromatic hydrocarbon in the United States - Part I: Model development and evaluation.

PubMed

Zhang, Jie; Li, Jingyi; Wang, Peng; Chen, Gang; Mendola, Pauline; Sherman, Seth; Ying, Qi

2017-02-01

PAHs (polycyclic aromatic hydrocarbons) in the environment are of significant concern due to their negative impact on human health. PAH measurements at the air toxics monitoring network stations alone are not sufficient to provide a complete picture of ambient PAH levels or to allow accurate assessment of public exposure in the United States. In this study, speciation profiles for PAHs were prepared using data assembled from existing emission profile data bases, and the Sparse Matrix Operator Kernel Emissions (SMOKE) model was used to generate the gridded national emissions of 16 priority PAHs in the US. The estimated emissions were applied to simulate ambient concentration of PAHs for January, April, July and October 2011, using a modified Community Multiscale Air Quality (CMAQ) model (v5.0.1) that treats the gas and particle phase partitioning of PAHs and their reactions in the gas phase and on particle surface. Predicted daily PAH concentrations at 61 air toxics monitoring sites generally agreed with observations, and averaging the predictions over a month reduced the overall error. The best model performance was obtained at rural sites, with an average mean fractional bias (MFB) of -0.03 and mean fractional error (MFE) of 0.70. Concentrations at suburban and urban sites were underestimated with overall MFB=-0.57 and MFE=0.89. Predicted PAH concentrations were highest in January with better model performance (MFB=0.12, MFE=0.69; including all sites), and lowest in July with worse model performance (MFB=-0.90, MFE=1.08). Including heterogeneous reactions of several PAHs with O 3 on particle surface reduced the over-prediction bias in winter, although significant uncertainties were expected due to relative simple treatment of the heterogeneous reactions in the current model. Copyright © 2016 Elsevier Ltd. All rights reserved.

The atmospheric boundary layer in the CSIRO global climate model: simulations versus observations

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Rotstayn, L. D.; Krummel, P. B.

2002-07-01

A 5-year simulation of the atmospheric boundary layer in the CSIRO global climate model (GCM) is compared with detailed boundary-layer observations at six locations, two over the ocean and four over land. Field observations, in the form of surface fluxes and vertical profiles of wind, temperature and humidity, are generally available for each hour over periods of one month or more in a single year. GCM simulations are for specific months corresponding to the field observations, for each of five years. At three of the four land sites (two in Australia, one in south-eastern France), modelled rainfall was close to the observed climatological values, but was significantly in deficit at the fourth (Kansas, USA). Observed rainfall during the field expeditions was close to climatology at all four sites. At the Kansas site, modelled screen temperatures (Tsc), diurnal temperature amplitude and sensible heat flux (H) were significantly higher than observed, with modelled evaporation (E) much lower. At the other three land sites, there is excellent correspondence between the diurnal amplitude and phase and absolute values of each variable (Tsc, H, E). Mean monthly vertical profiles for specific times of the day show strong similarities: over land and ocean in vertical shape and absolute values of variables, and in the mixed-layer and nocturnal-inversion depths (over land) and the height of the elevated inversion or height of the cloud layer (over the sea). Of special interest is the presence climatologically of early morning humidity inversions related to dewfall and of nocturnal low-level jets; such features are found in the GCM simulations. The observed day-to-day variability in vertical structure is captured well in the model for most sites, including, over a whole month, the temperature range at all levels in the boundary layer, and the mix of shallow and deep mixed layers. Weaknesses or unrealistic structure include the following, (a) unrealistic model mixed-layer temperature profiles over land in clear skies, related to use of a simple local first-order turbulence closure, (b) a tendency to overpredict cloud liquid water near the surface.

Evaluation of the Parietal Bones in the Rat as a Specific Site for the Testing of Osteogenic Materials. A Simple Animal Model to Study Bone Implant Material.

DTIC Science & Technology

1981-10-01

Intraosseous Appliance in the Treatment of Mandibular Fractures . J Oral Surg 30:344-348, 1977. 6. MELCHER, A.H. and IRVING, J.T.: The Healing...on the observed results. Investigators have prepared osseous defects in monkeys, sheep, and dogs in an attempt to study the effects of bone inducing...occur in the control animals. Sufficient bone must also be available so that the risk of fracture is mitigated. 3. The animal should allow for

Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited

NASA Astrophysics Data System (ADS)

Buckingham, A. D.; Pyykkö, P.; Robert, J. B.; Wiesenfeld, L.

The symmetry rules of Buckingham and Love (1970), relating the number of independent components of the indirect spin-spin coupling tensor J to the symmetry of the nuclear sites, are shown to require modification if the two nuclei are exchanged by a symmetry operation. In that case, the anti-symmetric part of J does not transform as a second-rank polar tensor under symmetry operations that interchange the coupled nuclei and may be called an anti-tensor. New rules are derived and illustrated by simple molecular models.

Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

DOE PAGES

Liu, Da -Jiang; Evans, James W.

2015-04-02

We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO 2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure p CO, to a strongly-correlated near-O-covered steady-state for low p CO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low p CO.

A universal mechanism for transport and regulation of CPA sodium proton exchangers.

PubMed

Călinescu, Octavian; Fendler, Klaus

2015-09-01

Recent studies performed on a series of Na+/H+ exchangers have led us to postulate a general mechanism for Na+/H+ exchange in the monovalent cation/proton antiporter superfamily. This simple mechanism employs a single binding site for which both substrates compete. The developed kinetic model is self-regulatory, ensuring down-regulation of transport activity at extreme pH, and elegantly explains the pH-dependent activity of Na+/H+ exchangers. The mechanism was experimentally verified and shown to describe both electrogenic and electroneutral exchangers. Using a small number of parameters, exchanger activity can be modeled under different conditions, providing insights into the physiological role of Na+/H+ exchangers.

Rapid modeling of complex multi-fault ruptures with simplistic models from real-time GPS: Perspectives from the 2016 Mw 7.8 Kaikoura earthquake

NASA Astrophysics Data System (ADS)

Crowell, B.; Melgar, D.

2017-12-01

The 2016 Mw 7.8 Kaikoura earthquake is one of the most complex earthquakes in recent history, rupturing across at least 10 disparate faults with varying faulting styles, and exhibiting intricate surface deformation patterns. The complexity of this event has motivated the need for multidisciplinary geophysical studies to get at the underlying source physics to better inform earthquake hazards models in the future. However, events like Kaikoura beg the question of how well (or how poorly) such earthquakes can be modeled automatically in real-time and still satisfy the general public and emergency managers. To investigate this question, we perform a retrospective real-time GPS analysis of the Kaikoura earthquake with the G-FAST early warning module. We first perform simple point source models of the earthquake using peak ground displacement scaling and a coseismic offset based centroid moment tensor (CMT) inversion. We predict ground motions based on these point sources as well as simple finite faults determined from source scaling studies, and validate against true recordings of peak ground acceleration and velocity. Secondly, we perform a slip inversion based upon the CMT fault orientations and forward model near-field tsunami maximum expected wave heights to compare against available tide gauge records. We find remarkably good agreement between recorded and predicted ground motions when using a simple fault plane, with the majority of disagreement in ground motions being attributable to local site effects, not earthquake source complexity. Similarly, the near-field tsunami maximum amplitude predictions match tide gauge records well. We conclude that even though our models for the Kaikoura earthquake are devoid of rich source complexities, the CMT driven finite fault is a good enough "average" source and provides useful constraints for rapid forecasting of ground motion and near-field tsunami amplitudes.

Effect of Critical Displacement Parameter on Slip Regime at Subduction Fault

NASA Astrophysics Data System (ADS)

Muldashev, Iskander; Sobolev, Stephan

2016-04-01

It is widely accepted that for the simple fault models value of critical displacement parameter (Dc) in Ruina-Dietrich's rate-and-state friction law is responsible for the transition from stick-slip regime at low Dc to non-seismic creep regime at large Dc. However, neither the value of "transition" Dc parameter nor the character of the transition is known for the realistic subduction zone setting. Here we investigate effect of Dc on regime of slip at subduction faults for two setups, generic model similar to simple shear elastic slider under quasistatic loading and full subduction model with appropriate geometry, stress and temperature distribution similar to the setting at the site of the Great Chile Earthquake of 1960. In our modeling we use finite element numerical technique that employs non-linear elasto-visco-plastic rheology in the entire model domain with rate-and-state plasticity within the fault zone. The model generates spontaneous earthquake sequence. Adaptive time-step integration procedure varies time step from 40 seconds at instability (earthquake), and gradually increases it to 5 years during postseismic relaxation. The technique allows observing the effect of Dc on period, magnitude of earthquakes through the cycles. We demonstrate that our modeling results for the generic model are consistent with the previous theoretical and numeric modeling results. For the full subduction model we obtain transition from non-seismic creep to stick-slip regime at Dc about 20 cm. We will demonstrate and discuss the features of the transition regimes in both generic and realistic subduction models.

Trends and uncertainties in budburst projections of Norway spruce in Northern Europe.

PubMed

Olsson, Cecilia; Olin, Stefan; Lindström, Johan; Jönsson, Anna Maria

2017-12-01

Budburst is regulated by temperature conditions, and a warming climate is associated with earlier budburst. A range of phenology models has been developed to assess climate change effects, and they tend to produce different results. This is mainly caused by different model representations of tree physiology processes, selection of observational data for model parameterization, and selection of climate model data to generate future projections. In this study, we applied (i) Bayesian inference to estimate model parameter values to address uncertainties associated with selection of observational data, (ii) selection of climate model data representative of a larger dataset, and (iii) ensembles modeling over multiple initial conditions, model classes, model parameterizations, and boundary conditions to generate future projections and uncertainty estimates. The ensemble projection indicated that the budburst of Norway spruce in northern Europe will on average take place 10.2 ± 3.7 days earlier in 2051-2080 than in 1971-2000, given climate conditions corresponding to RCP 8.5. Three provenances were assessed separately (one early and two late), and the projections indicated that the relationship among provenance will remain also in a warmer climate. Structurally complex models were more likely to fail predicting budburst for some combinations of site and year than simple models. However, they contributed to the overall picture of current understanding of climate impacts on tree phenology by capturing additional aspects of temperature response, for example, chilling. Model parameterizations based on single sites were more likely to result in model failure than parameterizations based on multiple sites, highlighting that the model parameterization is sensitive to initial conditions and may not perform well under other climate conditions, whether the change is due to a shift in space or over time. By addressing a range of uncertainties, this study showed that ensemble modeling provides a more robust impact assessment than would a single phenology model run.

A simple ecohydrological model captures essentials of seasonal leaf dynamics in semi-arid tropical grasslands

NASA Astrophysics Data System (ADS)

Choler, P.; Sea, W.; Briggs, P.; Raupach, M.; Leuning, R.

2009-09-01

Modelling leaf phenology in water-controlled ecosystems remains a difficult task because of high spatial and temporal variability in the interaction of plant growth and soil moisture. Here, we move beyond widely used linear models to examine the performance of low-dimensional, nonlinear ecohydrological models that couple the dynamics of plant cover and soil moisture. The study area encompasses 400 000 km2 of semi-arid perennial tropical grasslands, dominated by C4 grasses, in the Northern Territory and Queensland (Australia). We prepared 8 yr time series (2001-2008) of climatic variables and estimates of fractional vegetation cover derived from MODIS Normalized Difference Vegetation Index (NDVI) for 400 randomly chosen sites, of which 25% were used for model calibration and 75% for model validation. We found that the mean absolute error of linear and nonlinear models did not markedly differ. However, nonlinear models presented key advantages: (1) they exhibited far less systematic error than their linear counterparts; (2) their error magnitude was consistent throughout a precipitation gradient while the performance of linear models deteriorated at the driest sites, and (3) they better captured the sharp transitions in leaf cover that are observed under high seasonality of precipitation. Our results showed that low-dimensional models including feedbacks between soil water balance and plant growth adequately predict leaf dynamics in semi-arid perennial grasslands. Because these models attempt to capture fundamental ecohydrological processes, they should be the favoured approach for prognostic models of phenology.

A simple ecohydrological model captures essentials of seasonal leaf dynamics in semi-arid tropical grasslands

NASA Astrophysics Data System (ADS)

Choler, P.; Sea, W.; Briggs, P.; Raupach, M.; Leuning, R.

2010-03-01

Modelling leaf phenology in water-controlled ecosystems remains a difficult task because of high spatial and temporal variability in the interaction of plant growth and soil moisture. Here, we move beyond widely used linear models to examine the performance of low-dimensional, nonlinear ecohydrological models that couple the dynamics of plant cover and soil moisture. The study area encompasses 400 000 km2 of semi-arid perennial tropical grasslands, dominated by C4 grasses, in the Northern Territory and Queensland (Australia). We prepared 8-year time series (2001-2008) of climatic variables and estimates of fractional vegetation cover derived from MODIS Normalized Difference Vegetation Index (NDVI) for 400 randomly chosen sites, of which 25% were used for model calibration and 75% for model validation. We found that the mean absolute error of linear and nonlinear models did not markedly differ. However, nonlinear models presented key advantages: (1) they exhibited far less systematic error than their linear counterparts; (2) their error magnitude was consistent throughout a precipitation gradient while the performance of linear models deteriorated at the driest sites, and (3) they better captured the sharp transitions in leaf cover that are observed under high seasonality of precipitation. Our results showed that low-dimensional models including feedbacks between soil water balance and plant growth adequately predict leaf dynamics in semi-arid perennial grasslands. Because these models attempt to capture fundamental ecohydrological processes, they should be the favoured approach for prognostic models of phenology.

Membrane Modulates Affinity for Calcium Ion to Create an Apparent Cooperative Binding Response by Annexin a5

PubMed Central

Gauer, Jacob W.; Knutson, Kristofer J.; Jaworski, Samantha R.; Rice, Anne M.; Rannikko, Anika M.; Lentz, Barry R.; Hinderliter, Anne

2013-01-01

Isothermal titration calorimetry was used to characterize the binding of calcium ion (Ca2+) and phospholipid to the peripheral membrane-binding protein annexin a5. The phospholipid was a binary mixture of a neutral and an acidic phospholipid, specifically phosphatidylcholine and phosphatidylserine in the form of large unilamellar vesicles. To stringently define the mode of binding, a global fit of data collected in the presence and absence of membrane concentrations exceeding protein saturation was performed. A partition function defined the contribution of all heat-evolving or heat-absorbing binding states. We find that annexin a5 binds Ca2+ in solution according to a simple independent-site model (solution-state affinity). In the presence of phosphatidylserine-containing liposomes, binding of Ca2+ differentiates into two classes of sites, both of which have higher affinity compared with the solution-state affinity. As in the solution-state scenario, the sites within each class were described with an independent-site model. Transitioning from a solution state with lower Ca2+ affinity to a membrane-associated, higher Ca2+ affinity state, results in cooperative binding. We discuss how weak membrane association of annexin a5 prior to Ca2+ influx is the basis for the cooperative response of annexin a5 toward Ca2+, and the role of membrane organization in this response. PMID:23746516

Theoretical analysis of the effect of particle size and support on the kinetics of oxygen reduction reaction on platinum nanoparticles

NASA Astrophysics Data System (ADS)

Viswanathan, Venkatasubramanian; Wang, Frank Yi-Fei

2012-07-01

We perform a first-principles based computational analysis of the effect of particle size and support material on the electrocatalytic activity of platinum nanoparticles. Using a mechanism for oxygen reduction that accounts for electric field effects and stabilization from the water layer on the (111) and (100) facets, we show that the model used agrees well with linear sweep voltammetry and rotating ring disk electrode experiments. We find that the per-site activity of the nanoparticle saturates for particles larger than 5 nm and we show that the optimal particle size is in the range of 2.5-3.5 nm, which agrees well with recent experimental work. We examine the effect of support material and show that the perimeter sites on the metal-support interface are important in determining the overall activity of the nanoparticles. We also develop simple geometric estimates for the activity which can be used for determining the activity of other particle shapes and sizes.We perform a first-principles based computational analysis of the effect of particle size and support material on the electrocatalytic activity of platinum nanoparticles. Using a mechanism for oxygen reduction that accounts for electric field effects and stabilization from the water layer on the (111) and (100) facets, we show that the model used agrees well with linear sweep voltammetry and rotating ring disk electrode experiments. We find that the per-site activity of the nanoparticle saturates for particles larger than 5 nm and we show that the optimal particle size is in the range of 2.5-3.5 nm, which agrees well with recent experimental work. We examine the effect of support material and show that the perimeter sites on the metal-support interface are important in determining the overall activity of the nanoparticles. We also develop simple geometric estimates for the activity which can be used for determining the activity of other particle shapes and sizes. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr30572k

Assessment of Mars Pathfinder landing site predictions

USGS Publications Warehouse

Golombek, M.P.; Moore, H.J.; Haldemann, A.F.C.; Parker, T.J.; Schofield, J.T.

1999-01-01

Remote sensing data at scales of kilometers and an Earth analog were used to accurately predict the characteristics of the Mars Pathfinder landing site at a scale of meters. The surface surrounding the Mars Pathfinder lander in Ares Vallis appears consistent with orbital interpretations, namely, that it would be a rocky plain composed of materials deposited by catastrophic floods. The surface and observed maximum clast size appears similar to predictions based on an analogous surface of the Ephrata Fan in the Channeled Scabland of Washington state. The elevation of the site measured by relatively small footprint delay-Doppler radar is within 100 m of that determined by two-way ranging and Doppler tracking of the spacecraft. The nearly equal elevations of the Mars Pathfinder and Viking Lander 1 sites allowed a prediction of the atmospheric conditions with altitude (pressure, temperature, and winds) that were well within the entry, descent, and landing design margins. High-resolution (~38 m/pixel) Viking Orbiter 1 images showed a sparsely cratered surface with small knobs with relatively low slopes, consistent with observations of these features from the lander. Measured rock abundance is within 10% of that expected from Viking orbiter thermal observations and models. The fractional area covered by large, potentially hazardous rocks observed is similar to that estimated from model rock distributions based on data from the Viking landing sites, Earth analog sites, and total rock abundance. The bulk and fine-component thermal inertias measured from orbit are similar to those calculated from the observed rock size-frequency distribution. A simple radar echo model based on the reflectivity of the soil (estimated from its bulk density), and the measured fraction of area covered by rocks was used to approximate the quasi-specular and diffuse components of the Earth-based radar echos. Color and albedo orbiter data were used to predict the relatively dust free or unweathered surface around the Pathfinder lander compared to the Viking landing sites. Comparisons with the experiences of selecting the Viking landing sites demonstrate the enormous benefit the Viking data and its analyses and models had on the successful predictions of the Pathfinder site. The Pathfinder experience demonstrates that, in certain locations, geologic processes observed in orbiter data can be used to infer surface characteristics where those processes dominate over other processes affecting the Martian surface layer. Copyright 1999 by the American Geophysical Union.

Managing salinity in Upper Colorado River Basin streams: Selecting catchments for sediment control efforts using watershed characteristics and random forests models

USGS Publications Warehouse

Tillman, Fred; Anning, David W.; Heilman, Julian A.; Buto, Susan G.; Miller, Matthew P.

2018-01-01

Elevated concentrations of dissolved-solids (salinity) including calcium, sodium, sulfate, and chloride, among others, in the Colorado River cause substantial problems for its water users. Previous efforts to reduce dissolved solids in upper Colorado River basin (UCRB) streams often focused on reducing suspended-sediment transport to streams, but few studies have investigated the relationship between suspended sediment and salinity, or evaluated which watershed characteristics might be associated with this relationship. Are there catchment properties that may help in identifying areas where control of suspended sediment will also reduce salinity transport to streams? A random forests classification analysis was performed on topographic, climate, land cover, geology, rock chemistry, soil, and hydrologic information in 163 UCRB catchments. Two random forests models were developed in this study: one for exploring stream and catchment characteristics associated with stream sites where dissolved solids increase with increasing suspended-sediment concentration, and the other for predicting where these sites are located in unmonitored reaches. Results of variable importance from the exploratory random forests models indicate that no simple source, geochemical process, or transport mechanism can easily explain the relationship between dissolved solids and suspended sediment concentrations at UCRB monitoring sites. Among the most important watershed characteristics in both models were measures of soil hydraulic conductivity, soil erodibility, minimum catchment elevation, catchment area, and the silt component of soil in the catchment. Predictions at key locations in the basin were combined with observations from selected monitoring sites, and presented in map-form to give a complete understanding of where catchment sediment control practices would also benefit control of dissolved solids in streams.

Site-specific thromboembolism: a novel animal model for stroke.

PubMed

Ringer, Andrew J; Guterman, Lee R; Hopkins, L Nelson

2004-02-01

To develop a technique for site-specific placement of a thrombus of predetermined volume in an animal model for the purpose of evaluating methods of intravascular thrombolysis and clot retrieval. Six swine were subjected to thrombus injection bilaterally in the ascending pharyngeal artery (APA). Each animal underwent transfemoral angiography while under general anesthesia. A nondetachable balloon catheter and a 3-French microcatheter were then advanced into the common carotid artery through a 7-French guide catheter. With the microcatheter in the proximal APA and the balloon inflated proximally, a bolus of preformed thrombus composed of 0.9 mL of autologous blood and 0.1 mL of bovine thrombin (200 IU/mL) was injected through the microcatheter while local flow arrest was maintained for 15 min. The balloon was deflated and removed. The occluded arteries were observed by serial angiography for 3 hr and then resected for gross examination and hematoxylin and eosin staining. Each APA was occluded angiographically and did not recanalize during the 3-hr observation period. Persistent, proximal progression of thrombus to the superior thyroid artery origin occurred in three animals. Gross inspection revealed that the resected arteries contained thrombus in the proximal APA but not in the common carotid artery. Histologic examination revealed organized thrombus, without evidence of intimal injury. Our model provides a simple, reliable method for site-specific injection of a thrombus of predetermined volume. Site-specific placement is important for evaluation of the efficacy of thrombolytic agents and techniques. Angiographic evidence of brain revascularization can be used to grade revascularization and clot volume. The ability to specifically localize and estimate clot volume makes our model well suited for the evaluation and comparison of thrombolytic agents and endovascular techniques.

Improving catchment discharge predictions by inferring flow route contributions from a nested-scale monitoring and model setup

NASA Astrophysics Data System (ADS)

van der Velde, Y.; Rozemeijer, J. C.; de Rooij, G. H.; van Geer, F. C.; Torfs, P. J. J. F.; de Louw, P. G. B.

2011-03-01

Identifying effective measures to reduce nutrient loads of headwaters in lowland catchments requires a thorough understanding of flow routes of water and nutrients. In this paper we assess the value of nested-scale discharge and groundwater level measurements for the estimation of flow route volumes and for predictions of catchment discharge. In order to relate field-site measurements to the catchment-scale an upscaling approach is introduced that assumes that scale differences in flow route fluxes originate from differences in the relationship between groundwater storage and the spatial structure of the groundwater table. This relationship is characterized by the Groundwater Depth Distribution (GDD) curve that relates spatial variation in groundwater depths to the average groundwater depth. The GDD-curve was measured for a single field site (0.009 km2) and simple process descriptions were applied to relate groundwater levels to flow route discharges. This parsimonious model could accurately describe observed storage, tube drain discharge, overland flow and groundwater flow simultaneously with Nash-Sutcliff coefficients exceeding 0.8. A probabilistic Monte Carlo approach was applied to upscale field-site measurements to catchment scales by inferring scale-specific GDD-curves from the hydrographs of two nested catchments (0.4 and 6.5 km2). The estimated contribution of tube drain effluent (a dominant source for nitrates) decreased with increasing scale from 76-79% at the field-site to 34-61% and 25-50% for both catchment scales. These results were validated by demonstrating that a model conditioned on nested-scale measurements improves simulations of nitrate loads and predictions of extreme discharges during validation periods compared to a model that was conditioned on catchment discharge only.

Surface complexation model of uranyl sorption on Georgia kaolinite

USGS Publications Warehouse

Payne, T.E.; Davis, J.A.; Lumpkin, G.R.; Chisari, R.; Waite, T.D.

2004-01-01

The adsorption of uranyl on standard Georgia kaolinites (KGa-1 and KGa-1B) was studied as a function of pH (3-10), total U (1 and 10 ??mol/l), and mass loading of clay (4 and 40 g/l). The uptake of uranyl in air-equilibrated systems increased with pH and reached a maximum in the near-neutral pH range. At higher pH values, the sorption decreased due to the presence of aqueous uranyl carbonate complexes. One kaolinite sample was examined after the uranyl uptake experiments by transmission electron microscopy (TEM), using energy dispersive X-ray spectroscopy (EDS) to determine the U content. It was found that uranium was preferentially adsorbed by Ti-rich impurity phases (predominantly anatase), which are present in the kaolinite samples. Uranyl sorption on the Georgia kaolinites was simulated with U sorption reactions on both titanol and aluminol sites, using a simple non-electrostatic surface complexation model (SCM). The relative amounts of U-binding >TiOH and >AlOH sites were estimated from the TEM/EDS results. A ternary uranyl carbonate complex on the titanol site improved the fit to the experimental data in the higher pH range. The final model contained only three optimised log K values, and was able to simulate adsorption data across a wide range of experimental conditions. The >TiOH (anatase) sites appear to play an important role in retaining U at low uranyl concentrations. As kaolinite often contains trace TiO2, its presence may need to be taken into account when modelling the results of sorption experiments with radionuclides or trace metals on kaolinite. ?? 2004 Elsevier B.V. All rights reserved.

Food provisioning and parental status in songbirds: can occupancy models be used to estimate nesting performance?

PubMed

Corbani, Aude Catherine; Hachey, Marie-Hélène; Desrochers, André

2014-01-01

Indirect methods to estimate parental status, such as the observation of parental provisioning, have been problematic due to potential biases associated with imperfect detection. We developed a method to evaluate parental status based on a novel combination of parental provisioning observations and hierarchical modeling. In the summers of 2009 to 2011, we surveyed 393 sites, each on three to four consecutive days at Forêt Montmorency, Québec, Canada. We assessed parental status of 2331 adult songbirds based on parental food provisioning. To account for imperfect detection of parental status, we applied MacKenzie et al.'s (2002) two-state hierarchical model to obtain unbiased estimates of the proportion of sites with successfully nesting birds, and the proportion of adults with offspring. To obtain an independent evaluation of detection probability, we monitored 16 active nests in 2010 and conducted parental provisioning observations away from them. The probability of detecting food provisioning was 0.31 when using nest monitoring, a value within the 0.11 to 0.38 range that was estimated by two-state models. The proportion of adults or sites with broods approached 0.90 and varied depending on date during the sampling season and year, exemplifying the role of eastern boreal forests as highly productive nesting grounds for songbirds. This study offers a simple and effective sampling design for studying avian reproductive performance that could be implemented in national surveys such as breeding bird atlases.

Food Provisioning and Parental Status in Songbirds: Can Occupancy Models Be Used to Estimate Nesting Performance?

PubMed Central

Corbani, Aude Catherine; Hachey, Marie-Hélène; Desrochers, André

2014-01-01

Indirect methods to estimate parental status, such as the observation of parental provisioning, have been problematic due to potential biases associated with imperfect detection. We developed a method to evaluate parental status based on a novel combination of parental provisioning observations and hierarchical modeling. In the summers of 2009 to 2011, we surveyed 393 sites, each on three to four consecutive days at Forêt Montmorency, Québec, Canada. We assessed parental status of 2331 adult songbirds based on parental food provisioning. To account for imperfect detection of parental status, we applied MacKenzie et al.'s (2002) two-state hierarchical model to obtain unbiased estimates of the proportion of sites with successfully nesting birds, and the proportion of adults with offspring. To obtain an independent evaluation of detection probability, we monitored 16 active nests in 2010 and conducted parental provisioning observations away from them. The probability of detecting food provisioning was 0.31 when using nest monitoring, a value within the 0.11 to 0.38 range that was estimated by two-state models. The proportion of adults or sites with broods approached 0.90 and varied depending on date during the sampling season and year, exemplifying the role of eastern boreal forests as highly productive nesting grounds for songbirds. This study offers a simple and effective sampling design for studying avian reproductive performance that could be implemented in national surveys such as breeding bird atlases. PMID:24999969

A Model of Substitution Trajectories in Sequence Space and Long-Term Protein Evolution

PubMed Central

Usmanova, Dinara R.; Ferretti, Luca; Povolotskaya, Inna S.; Vlasov, Peter K.; Kondrashov, Fyodor A.

2015-01-01

The nature of factors governing the tempo and mode of protein evolution is a fundamental issue in evolutionary biology. Specifically, whether or not interactions between different sites, or epistasis, are important in directing the course of evolution became one of the central questions. Several recent reports have scrutinized patterns of long-term protein evolution claiming them to be compatible only with an epistatic fitness landscape. However, these claims have not yet been substantiated with a formal model of protein evolution. Here, we formulate a simple covarion-like model of protein evolution focusing on the rate at which the fitness impact of amino acids at a site changes with time. We then apply the model to the data on convergent and divergent protein evolution to test whether or not the incorporation of epistatic interactions is necessary to explain the data. We find that convergent evolution cannot be explained without the incorporation of epistasis and the rate at which an amino acid state switches from being acceptable at a site to being deleterious is faster than the rate of amino acid substitution. Specifically, for proteins that have persisted in modern prokaryotic organisms since the last universal common ancestor for one amino acid substitution approximately ten amino acid states switch from being accessible to being deleterious, or vice versa. Thus, molecular evolution can only be perceived in the context of rapid turnover of which amino acids are available for evolution. PMID:25415964

Inferring Diffusion Dynamics from FCS in Heterogeneous Nuclear Environments

PubMed Central

Tsekouras, Konstantinos; Siegel, Amanda P.; Day, Richard N.; Pressé, Steve

2015-01-01

Fluorescence correlation spectroscopy (FCS) is a noninvasive technique that probes the diffusion dynamics of proteins down to single-molecule sensitivity in living cells. Critical mechanistic insight is often drawn from FCS experiments by fitting the resulting time-intensity correlation function, G(t), to known diffusion models. When simple models fail, the complex diffusion dynamics of proteins within heterogeneous cellular environments can be fit to anomalous diffusion models with adjustable anomalous exponents. Here, we take a different approach. We use the maximum entropy method to show—first using synthetic data—that a model for proteins diffusing while stochastically binding/unbinding to various affinity sites in living cells gives rise to a G(t) that could otherwise be equally well fit using anomalous diffusion models. We explain the mechanistic insight derived from our method. In particular, using real FCS data, we describe how the effects of cell crowding and binding to affinity sites manifest themselves in the behavior of G(t). Our focus is on the diffusive behavior of an engineered protein in 1) the heterochromatin region of the cell’s nucleus as well as 2) in the cell’s cytoplasm and 3) in solution. The protein consists of the basic region-leucine zipper (BZip) domain of the CCAAT/enhancer-binding protein (C/EBP) fused to fluorescent proteins. PMID:26153697

Mechanosensitive neurons on the internal reproductive tract contribute to egg-laying-induced acetic acid attraction in Drosophila

PubMed Central

Gou, Bin; Liu, Ying; Guntur, Ananya R.; Stern, Ulrich; Yang, Chung-Hui

2014-01-01

Selecting a suitable site to deposit their eggs is an important reproductive need of Drosophila females. While their choosiness towards egg-laying sites is well documented, the specific neural mechanism that activates females’ search for attractive egg-laying sites is not known. Here we show that distention/contraction of females’ internal reproductive tract triggered by egg-delivery through the tract plays a critical role in activating such search. We found that females start to exhibit acetic acid attraction prior to depositing each egg but no attraction when they are not laying eggs. Artificially distending the reproductive tract triggers acetic acid attraction in non-egg-laying females whereas silencing the mechanosensitive neurons we identified that can sense the contractile status of the tract eliminates such attraction. Our work uncovers the circuit basis of an important reproductive need of Drosophila females and provides a simple model to dissect the neural mechanism that underlies a reproductive need-induced behavioral modification. PMID:25373900

How should forensic anthropologists correct national weather service temperature data for use in estimating the postmortem interval?

PubMed

Dabbs, Gretchen R

2015-05-01

This study examines the correlation between site-specific and retrospectively collected temperature data from the National Weather Service (NWS) over an extended time period. Using iButtonLink thermochrons (model DS1921G), hourly temperature readings were collected at 15 sites (1 validation; 14 experimental) from December 2010 to January 2012. Comparison between the site-specific temperature data and data retrieved from an official reporter of NWS temperature data shows statistically significant differences between the two in 71.4% (10/14) of cases. The difference ranged between 0.04 and 2.81°C. Examination of both regression and simple adjustment of the mean difference over extended periods (1, 2, 3, 4, 5, 6, & 9 months) suggests that on the timescale typical in forensic anthropology cases neither method of correction is consistent or reliable and that forensic anthropologists would be better suited using uncorrected NWS temperature data when the postmortem interval is extended. © 2015 American Academy of Forensic Sciences.

Role of Plasticity at Different Sites across the Time Course of Cerebellar Motor Learning

PubMed Central

Lisberger, Stephen G.

2014-01-01

Learning comprises multiple components that probably involve cellular and synaptic plasticity at multiple sites. Different neural sites may play their largest roles at different times during behavioral learning. We have used motor learning in smooth pursuit eye movements of monkeys to determine how and when different components of learning occur in a known cerebellar circuit. The earliest learning occurs when one climbing-fiber response to a learning instruction causes simple-spike firing rate of Purkinje cells in the floccular complex of the cerebellum to be depressed transiently at the time of the instruction on the next trial. Trial-over-trial depression and the associated learning in eye movement are forgotten in <6 s, but facilitate long-term behavioral learning over a time scale of ∼5 min. During 100 repetitions of a learning instruction, simple-spike firing rate becomes progressively depressed in Purkinje cells that receive climbing-fiber inputs from the instruction. In Purkinje cells that prefer the opposite direction of pursuit and therefore do not receive climbing-fiber inputs related to the instruction, simple-spike responses undergo potentiation, but more weakly and more slowly. Analysis of the relationship between the learned changes in simple-spike firing and learning in eye velocity suggests an orderly progression of plasticity: first on Purkinje cells with complex-spike (CS) responses to the instruction, later on Purkinje cells with CS responses to the opposite direction of instruction, and last in sites outside the cerebellar cortex. Climbing-fiber inputs appear to play a fast and primary, but nonexclusive, role in pursuit learning. PMID:24849344

Microstructure and hydrogen bonding in water-acetonitrile mixtures.

PubMed

Mountain, Raymond D

2010-12-16

The connection of hydrogen bonding between water and acetonitrile in determining the microheterogeneity of the liquid mixture is examined using NPT molecular dynamics simulations. Mixtures for six, rigid, three-site models for acetonitrile and one water model (SPC/E) were simulated to determine the amount of water-acetonitrile hydrogen bonding. Only one of the six acetonitrile models (TraPPE-UA) was able to reproduce both the liquid density and the experimental estimates of hydrogen bonding derived from Raman scattering of the CN stretch band or from NMR quadrupole relaxation measurements. A simple modification of the acetonitrile model parameters for the models that provided poor estimates produced hydrogen-bonding results consistent with experiments for two of the models. Of these, only one of the modified models also accurately determined the density of the mixtures. The self-diffusion coefficient of liquid acetonitrile provided a final winnowing of the modified model and the successful, unmodified model. The unmodified model is provisionally recommended for simulations of water-acetonitrile mixtures.

Preferential flow, diffuse flow, and perching in an interbedded fractured-rock unsaturated zone

NASA Astrophysics Data System (ADS)

Nimmo, John R.; Creasey, Kaitlyn M.; Perkins, Kim S.; Mirus, Benjamin B.

2017-03-01

Layers of strong geologic contrast within the unsaturated zone can control recharge and contaminant transport to underlying aquifers. Slow diffuse flow in certain geologic layers, and rapid preferential flow in others, complicates the prediction of vertical and lateral fluxes. A simple model is presented, designed to use limited geological site information to predict these critical subsurface processes in response to a sustained infiltration source. The model is developed and tested using site-specific information from the Idaho National Laboratory in the Eastern Snake River Plain (ESRP), USA, where there are natural and anthropogenic sources of high-volume infiltration from floods, spills, leaks, wastewater disposal, retention ponds, and hydrologic field experiments. The thick unsaturated zone overlying the ESRP aquifer is a good example of a sharply stratified unsaturated zone. Sedimentary interbeds are interspersed between massive and fractured basalt units. The combination of surficial sediments, basalts, and interbeds determines the water fluxes through the variably saturated subsurface. Interbeds are generally less conductive, sometimes causing perched water to collect above them. The model successfully predicts the volume and extent of perching and approximates vertical travel times during events that generate high fluxes from the land surface. These developments are applicable to sites having a thick, geologically complex unsaturated zone of substantial thickness in which preferential and diffuse flow, and perching of percolated water, are important to contaminant transport or aquifer recharge.

HyDe: a Python Package for Genome-Scale Hybridization Detection.

PubMed

Blischak, Paul D; Chifman, Julia; Wolfe, Andrea D; Kubatko, Laura S

2018-03-19

The analysis of hybridization and gene flow among closely related taxa is a common goal for researchers studying speciation and phylogeography. Many methods for hybridization detection use simple site pattern frequencies from observed genomic data and compare them to null models that predict an absence of gene flow. The theory underlying the detection of hybridization using these site pattern probabilities exploits the relationship between the coalescent process for gene trees within population trees and the process of mutation along the branches of the gene trees. For certain models, site patterns are predicted to occur in equal frequency (i.e., their difference is 0), producing a set of functions called phylogenetic invariants. In this paper we introduce HyDe, a software package for detecting hybridization using phylogenetic invariants arising under the coalescent model with hybridization. HyDe is written in Python, and can be used interactively or through the command line using pre-packaged scripts. We demonstrate the use of HyDe on simulated data, as well as on two empirical data sets from the literature. We focus in particular on identifying individual hybrids within population samples and on distinguishing between hybrid speciation and gene flow. HyDe is freely available as an open source Python package under the GNU GPL v3 on both GitHub (https://github.com/pblischak/HyDe) and the Python Package Index (PyPI: https://pypi.python.org/pypi/phyde).

Preferential flow, diffuse flow, and perching in an interbedded fractured-rock unsaturated zone

USGS Publications Warehouse

Nimmo, John R.; Creasey, Kaitlyn M; Perkins, Kimberlie; Mirus, Benjamin B.

2017-01-01

Layers of strong geologic contrast within the unsaturated zone can control recharge and contaminant transport to underlying aquifers. Slow diffuse flow in certain geologic layers, and rapid preferential flow in others, complicates the prediction of vertical and lateral fluxes. A simple model is presented, designed to use limited geological site information to predict these critical subsurface processes in response to a sustained infiltration source. The model is developed and tested using site-specific information from the Idaho National Laboratory in the Eastern Snake River Plain (ESRP), USA, where there are natural and anthropogenic sources of high-volume infiltration from floods, spills, leaks, wastewater disposal, retention ponds, and hydrologic field experiments. The thick unsaturated zone overlying the ESRP aquifer is a good example of a sharply stratified unsaturated zone. Sedimentary interbeds are interspersed between massive and fractured basalt units. The combination of surficial sediments, basalts, and interbeds determines the water fluxes through the variably saturated subsurface. Interbeds are generally less conductive, sometimes causing perched water to collect above them. The model successfully predicts the volume and extent of perching and approximates vertical travel times during events that generate high fluxes from the land surface. These developments are applicable to sites having a thick, geologically complex unsaturated zone of substantial thickness in which preferential and diffuse flow, and perching of percolated water, are important to contaminant transport or aquifer recharge.

Absolute ages from crater statistics: Using radiometric ages of Martian samples for determining the Martian cratering chronology

NASA Technical Reports Server (NTRS)

Neukum, G.

1988-01-01

In the absence of dates derived from rock samples, impact crater frequencies are commonly used to date Martian surface units. All models for absolute dating rely on the lunar cratering chronology and on the validity of its extrapolation to Martian conditions. Starting from somewhat different lunar chronologies, rather different Martian cratering chronologies are found in the literature. Currently favored models are compared. The differences at old ages are significant, the differences at younger ages are considerable and give absolute ages for the same crater frequencies as different as a factor of 3. The total uncertainty could be much higher, though, since the ratio of lunar to Martian cratering rate which is of basic importance in the models is believed to be known no better than within a factor of 2. Thus, it is of crucial importance for understanding the the evolution of Mars and determining the sequence of events to establish an unambiguous Martian cratering chronology from crater statistics in combination with clean radiometric ages of returned Martian samples. For the dating goal, rocks should be as pristine as possible from a geologically simple area with a one-stage emplacement history of the local formation. A minimum of at least one highland site for old ages, two intermediate-aged sites, and one very young site is needed.

Inference of epistatic effects in a key mitochondrial protein

NASA Astrophysics Data System (ADS)

Nelson, Erik D.; Grishin, Nick V.

2018-06-01

We use Potts model inference to predict pair epistatic effects in a key mitochondrial protein—cytochrome c oxidase subunit 2—for ray-finned fishes. We examine the effect of phylogenetic correlations on our predictions using a simple exact fitness model, and we find that, although epistatic effects are underpredicted, they maintain a roughly linear relationship to their true (model) values. After accounting for this correction, epistatic effects in the protein are still relatively weak, leading to fitness valleys of depth 2 N s ≃-5 in compensatory double mutants. Interestingly, positive epistasis is more pronounced than negative epistasis, and the strongest positive effects capture nearly all sites subject to positive selection in fishes, similar to virus proteins evolving under selection pressure in the context of drug therapy.

Censored rainfall modelling for estimation of fine-scale extremes

NASA Astrophysics Data System (ADS)

Cross, David; Onof, Christian; Winter, Hugo; Bernardara, Pietro

2018-01-01

Reliable estimation of rainfall extremes is essential for drainage system design, flood mitigation, and risk quantification. However, traditional techniques lack physical realism and extrapolation can be highly uncertain. In this study, we improve the physical basis for short-duration extreme rainfall estimation by simulating the heavy portion of the rainfall record mechanistically using the Bartlett-Lewis rectangular pulse (BLRP) model. Mechanistic rainfall models have had a tendency to underestimate rainfall extremes at fine temporal scales. Despite this, the simple process representation of rectangular pulse models is appealing in the context of extreme rainfall estimation because it emulates the known phenomenology of rainfall generation. A censored approach to Bartlett-Lewis model calibration is proposed and performed for single-site rainfall from two gauges in the UK and Germany. Extreme rainfall estimation is performed for each gauge at the 5, 15, and 60 min resolutions, and considerations for censor selection discussed.

Ocular surgical models for immune and angiogenic responses

PubMed Central

Inomata, Takenori; Mashaghi, Alireza; Di Zazzo, Antonio; Dana, Reza

2015-01-01

Corneal transplantation serves as a reproducible and simple surgical model to study mechanisms regulating immunity and angiogenesis. The simplicity of the model allows for systematic analysis of different mechanisms involved in immune and angiogenic privilege and their failures. This protocol describes how to induce neovessels and inflammation in an actively regulated avascular and immune-privileged site. This involves placing intra-stromal corneal sutures for two weeks, disrupting the privileges, and performing corneal transplantation subsequently. Privileged and non-privileged recipient responses to donor cornea can be compared to identify key immunological mechanisms that underlie angiogenesis and graft rejection. This protocol can also be adapted to the growing repertoire of genetic models available in the mouse, and is a valuable tool to elucidate molecular mechanisms mediating acceptance or failure of corneal graft. The model could be used to assess the potential of therapeutic molecules to enhance graft survival in vivo. PMID:26550579

Kinematics of Deformation in West-Central Walker Lane; Paleomagnetic Testing of Fault-Block Rotation and Doming Models, Eastern California and Western Nevada

NASA Astrophysics Data System (ADS)

Fredrickson, S. M.; Pluhar, C. J.; Carlson, C. W.

2013-12-01

Walker Lane is a broad (~100-200 km) zone of dextral shear located between the Sierra Nevada microplate and the Basin and Range Province. We consider Bodie Hills a part of the greater Walker Lane because it has experienced clockwise, vertical-axis rotation of crustal blocks due to dextral shear accommodation. This strain is variable, resulting in rotations ranging from ~10°-70° depending on location. The Miocene Eureka Valley Tuff (EVT) is an ideal strain marker, because it is a geologically instantaneous and laterally extensive unit. We use paleomagnetic analysis of ignimbrites to improve the resolution of strain domain boundaries as well as test for doming in Bodie Hills. EVT site mean directions were compared to reference directions of the Tollhouse Flat and By Day Members collected from the stable Sierra Nevada to determine magnitudes of vertical-axis rotation. Three new sites and three previously sampled sites define a high-rotation domain including Bridgeport Valley and the East Walker River Canyon with an average clockwise rotation of ~50°-60°. We define the eastern boundary of this high-rotation domain as coinciding with a mapped fault exhibiting 11.7°×7.9° rotation of the presumed footwall. Our data corroborates and improves on Carlson's (2012) kinematic model in which the greater Bodie Hills has rotated clockwise ~30° since EVT emplacement. Eutaxitic textures, dipping up to 90°, are gross indicators of true tilt, but are also influenced by original dips in some localities, complicating interpretations. John et al. (2012) describe a simple doming model of Bodie Hills since EVT emplacement, supported by the high elevation of outflow channels compared to source areas. Our paleomagnetic data does not support simple doming, suggesting that there is either no doming of Bodie Hills, or that vertical crustal displacements have occurred without large-scale folding. John et al. (2012) dated undifferentiated EVT in Bodie Hills at ~9.4 Ma; using paleomagnetism, we show the dated outcrops to be Tollhouse Flat Member, substantially improving age constraints on EVT.

River rating complexity

USGS Publications Warehouse

Holmes, Robert R.

2016-01-01

Accuracy of streamflow data depends on the veracity of the rating model used to derive a continuous time series of discharge from the surrogate variables that can readily be collected autonomously at a streamgage. Ratings are typically represented as a simple monotonic increasing function (simple rating), meaning the discharge is a function of stage alone, however this is never truly the case unless the flow is completely uniform at all stages and in transitions from one stage to the next. For example, at some streamflow-monitoring sites the discharge on the rising limb of the hydrograph is discernably larger than the discharge at the same stage on the falling limb of the hydrograph. This is the so-called “loop rating curve” (loop rating). In many cases, these loops are quite small and variation between rising- and falling-limb discharge measurements made at the same stage are well within the accuracy of the measurements. However, certain hydraulic conditions can produce a loop that is large enough to preclude use of a monotonic rating. A detailed data campaign for the Mississippi River at St. Louis, Missouri during a multi-peaked flood over a 56-day period in 2015 demonstrates the rating complexity at this location. The shifting-control method used to deal with complexity at this site matched all measurements within 8%.

How Displaced Migratory Birds Could Use Volatile Atmospheric Compounds to Find Their Migratory Corridor: A Test Using a Particle Dispersion Model

PubMed Central

Safi, Kamran; Gagliardo, Anna; Wikelski, Martin; Kranstauber, Bart

2016-01-01

Olfaction represents an important sensory modality for navigation of both homing pigeons and wild birds. Experimental evidence in homing pigeons showed that airborne volatile compounds carried by the winds at the home area are learned in association with wind directions. When displaced, pigeons obtain information on the direction of their displacement using local odors at the release site. Recently, the role of olfactory cues in navigation has been reported also for wild birds during migration. However, the question whether wild birds develop an olfactory navigational map similar to that described in homing pigeons or, alternatively, exploit the distribution of volatile compounds in different manner for reaching the goal is still an open question. Using an interdisciplinary approach, we evaluate the possibilities of reconstructing spatio-temporally explicit aerosol dispersion at large spatial scales using the particle dispersion model FLEXPART. By combining atmospheric information with particle dispersion models, atmospheric scientists predict the dispersion of pollutants for example, after nuclear fallouts or volcanic eruptions or wildfires, or in retrospect reconstruct the origin of emissions such as aerosols. Using simple assumptions, we reconstructed the putative origin of aerosols traveling to the location of migrating birds. We use the model to test whether the putative odor plume could have originated from an important stopover site. If the migrating birds knew this site and the associated plume from previous journeys, the odor could contribute to the reorientation towards the migratory corridor, as suggested for the model scenario in displaced Lesser black-backed gulls migrating from Northern Europe into Africa. PMID:27799899

Absolute radiometric calibration of Landsat using a pseudo invariant calibration site

USGS Publications Warehouse

Helder, D.; Thome, K.J.; Mishra, N.; Chander, G.; Xiong, Xiaoxiong; Angal, A.; Choi, Tae-young

2013-01-01

Pseudo invariant calibration sites (PICS) have been used for on-orbit radiometric trending of optical satellite systems for more than 15 years. This approach to vicarious calibration has demonstrated a high degree of reliability and repeatability at the level of 1-3% depending on the site, spectral channel, and imaging geometries. A variety of sensors have used this approach for trending because it is broadly applicable and easy to implement. Models to describe the surface reflectance properties, as well as the intervening atmosphere have also been developed to improve the precision of the method. However, one limiting factor of using PICS is that an absolute calibration capability has not yet been fully developed. Because of this, PICS are primarily limited to providing only long term trending information for individual sensors or cross-calibration opportunities between two sensors. This paper builds an argument that PICS can be used more extensively for absolute calibration. To illustrate this, a simple empirical model is developed for the well-known Libya 4 PICS based on observations by Terra MODIS and EO-1 Hyperion. The model is validated by comparing model predicted top-of-atmosphere reflectance values to actual measurements made by the Landsat ETM+ sensor reflective bands. Following this, an outline is presented to develop a more comprehensive and accurate PICS absolute calibration model that can be Système international d'unités (SI) traceable. These initial concepts suggest that absolute calibration using PICS is possible on a broad scale and can lead to improved on-orbit calibration capabilities for optical satellite sensors.

Performance of the Hydrological Portion of a Simple Water Quality Model in Different Climatic Regions

NASA Astrophysics Data System (ADS)

Moore, K.; Pierson, D.; Pettersson, K.; Naden, P.; Allott, N.; Jennings, E.; Tamm, T.; Järvet, A.; Nickus, U.; Thies, H.; Arvola, L.; Järvinen, M.; Schneiderman, E.; Zion, M.; Lounsbury, D.

2004-05-01

We are applying an existing watershed model in the EU CLIME (Climate and Lake Impacts in Europe) project to evaluate the effects of weather on seasonal and annual delivery of N, P, and DOC to lakes. Model calibration is based on long-term records of weather and water quality data collected from sites in different climatic regions spread across Europe and in New York State. The overall aim of the CLIME project is to develop methods and models to support lake and catchment management under current climate conditions and make predictions under future climate scenarios. Scientists from 10 partner countries are collaborating on developing a consistent approach to defining model parameters for the Generalized Watershed Loading Functions (GWLF) model, one of a larger suite of models used in the project. An example of the approach for the hydrological portion of the GWLF model will be presented, with consideration of the balance between model simplicity, ease of use, data requirements, and realistic predictions.

Challenges for creating a site-specific groundwater-use record for the Ozark Plateaus aquifer system (central USA) from 1900 to 2010

NASA Astrophysics Data System (ADS)

Knierim, Katherine J.; Nottmeier, Anna M.; Worland, Scott; Westerman, Drew A.; Clark, Brian R.

2017-09-01

Hydrologic budgets to determine groundwater availability are important tools for water-resource managers. One challenging component for developing hydrologic budgets is quantifying water use through time because historical and site-specific water-use data can be sparse or poorly documented. This research developed a groundwater-use record for the Ozark Plateaus aquifer system (central USA) from 1900 to 2010 that related county-level aggregated water-use data to site-specific well locations and aquifer units. A simple population-based linear model, constrained to 0 million liters per day in 1900, provided the best means to extrapolate groundwater-withdrawal rates pre-1950s when there was a paucity of water-use data. To disaggregate county-level data to individual wells across a regional aquifer system, a programmatic hierarchical process was developed, based on the level of confidence that a well pumped groundwater for a specific use during a specific year. Statistical models tested on a subset of the best-available site-specific water-use data provided a mechanism to bracket historic groundwater use, such that groundwater-withdrawal rates ranged, on average, plus or minus 38% from modeled values. Groundwater withdrawn for public supply and domestic use accounted for between 48 and 74% of total groundwater use since 1901, highlighting that groundwater provides an important drinking-water resource. The compilation, analysis, and spatial and temporal extrapolation of water-use data remain a challenging task for water scientists, but is of paramount importance to better quantify groundwater use and availability.

Driving clinical study efficiency by using a productivity breakdown model: comparative evaluation of a global clinical study and a similar Japanese study.

PubMed

Takahashi, K; Sengoku, S; Kimura, H

2011-02-01

A fundamental management imperative of pharmaceutical companies is to contain surging costs of developing and launching drugs globally. Clinical studies are a research and development (R&D) cost driver. The objective of this study was to develop a productivity breakdown model, or a key performance indicator (KPI) tree, for an entire clinical study and to use it to compare a global clinical study with a similar Japanese study. We, thereby, hope to identify means of improving study productivity. We developed the new clinical study productivity breakdown model, covering operational aspects and cost factors. Elements for improving clinical study productivity were assessed from a management viewpoint by comparing empirical tracking data from a global clinical study with a Japanese study with similar protocols. The following unique and material differences, beyond simple international difference in cost of living, that could affect the efficiency of future clinical trials were identified: (i) more frequent site visits in the Japanese study, (ii) head counts at the Japanese study sites more than double those of the global study and (iii) a shorter enrollment time window of about a third that of the global study at the Japanese study sites. We identified major differences in the performance of the two studies. These findings demonstrate the potential of the KPI tree for improving clinical study productivity. Trade-offs, such as those between reduction in head count at study sites and expansion of the enrollment time window, must be considered carefully. © 2010 Blackwell Publishing Ltd.

Effects of data assimilation on the global aerosol key optical properties simulations

NASA Astrophysics Data System (ADS)

Yin, Xiaomei; Dai, Tie; Schutgens, Nick A. J.; Goto, Daisuke; Nakajima, Teruyuki; Shi, Guangyu

2016-09-01

We present the one month results of global aerosol optical properties for April 2006, using the Spectral Radiation Transport Model for Aerosol Species (SPRINTARS) coupled with the Non-hydrostatic ICosahedral Atmospheric Model (NICAM), by assimilating Moderate Resolution Imaging Spectroradiometer (MODIS) aerosol optical depth (AOD) with Local Ensemble Transform Kalman Filter (LETKF). The simulated AOD, Ångström Exponent (AE) and single scattering albedo (SSA) are validated by independent Aerosol Robotic Network (AERONET) observations over the global sites. The data assimilation has the strongest positive effect on the AOD simulation and slight positive influences on the AE and SSA simulations. For the time-averaged globally spatial distribution, the data assimilation increases the model skill score (S) of AOD, AE, and SSA from 0.55, 0.92, and 0.75 to 0.79, 0.94, and 0.80, respectively. Over the North Africa (NAF) and Middle East region where the aerosol composition is simple (mainly dust), the simulated AODs are best improved by the data assimilation, indicating the assimilation correctly modifies the wrong dust burdens caused by the uncertainties of the dust emission parameterization. Assimilation also improves the simulation of the temporal variations of the aerosol optical properties over the AERONET sites, with improved S at 60 (62%), 45 (55%) and 11 (50%) of 97, 82 and 22 sites for AOD, AE and SSA. By analyzing AOD and AE at five selected sites with best S improvement, this study further indicates that the assimilation can reproduce short duration events and ratios between fine and coarse aerosols more accurately.

Challenges for creating a site-specific groundwater-use record for the Ozark Plateaus aquifer system (central USA) from 1900 to 2010

USGS Publications Warehouse

Knierim, Katherine J.; Nottmeier, Anna M.; Worland, Scott C.; Westerman, Drew A.; Clark, Brian R.

2017-01-01

Hydrologic budgets to determine groundwater availability are important tools for water-resource managers. One challenging component for developing hydrologic budgets is quantifying water use through time because historical and site-specific water-use data can be sparse or poorly documented. This research developed a groundwater-use record for the Ozark Plateaus aquifer system (central USA) from 1900 to 2010 that related county-level aggregated water-use data to site-specific well locations and aquifer units. A simple population-based linear model, constrained to 0 million liters per day in 1900, provided the best means to extrapolate groundwater-withdrawal rates pre-1950s when there was a paucity of water-use data. To disaggregate county-level data to individual wells across a regional aquifer system, a programmatic hierarchical process was developed, based on the level of confidence that a well pumped groundwater for a specific use during a specific year. Statistical models tested on a subset of the best-available site-specific water-use data provided a mechanism to bracket historic groundwater use, such that groundwater-withdrawal rates ranged, on average, plus or minus 38% from modeled values. Groundwater withdrawn for public supply and domestic use accounted for between 48 and 74% of total groundwater use since 1901, highlighting that groundwater provides an important drinking-water resource. The compilation, analysis, and spatial and temporal extrapolation of water-use data remain a challenging task for water scientists, but is of paramount importance to better quantify groundwater use and availability.

Paleosecular variation and time-averaged field analysis over the last 10 Ma from a new global dataset (PSV10)

NASA Astrophysics Data System (ADS)

Cromwell, G.; Johnson, C. L.; Tauxe, L.; Constable, C.; Jarboe, N.

2015-12-01

Previous paleosecular variation (PSV) and time-averaged field (TAF) models draw on compilations of paleodirectional data that lack equatorial and high latitude sites and use latitudinal virtual geomagnetic pole (VGP) cutoffs designed to remove transitional field directions. We present a new selected global dataset (PSV10) of paleodirectional data spanning the last 10 Ma. We include all results calculated with modern laboratory methods, regardless of site VGP colatitude, that meet statistically derived selection criteria. We exclude studies that target transitional field states or identify significant tectonic effects, and correct for any bias from serial correlation by averaging directions from sequential lava flows. PSV10 has an improved global distribution compared with previous compilations, comprising 1519 sites from 71 studies. VGP dispersion in PSV10 varies with latitude, exhibiting substantially higher values in the southern hemisphere than at corresponding northern latitudes. Inclination anomaly estimates at many latitudes are within error of an expected GAD field, but significant negative anomalies are found at equatorial and mid-northern latitudes. Current PSV models Model G and TK03 do not fit observed PSV or TAF latitudinal behavior in PSV10, or subsets of normal and reverse polarity data, particularly for southern hemisphere sites. Attempts to fit these observations with simple modifications to TK03 showed slight statistical improvements, but still exceed acceptable errors. The root-mean-square misfit of TK03 (and subsequent iterations) is substantially lower for the normal polarity subset of PSV10, compared to reverse polarity data. Two-thirds of data in PSV10 are normal polarity, most which are from the last 5 Ma, so we develop a new TAF model using this subset of data. We use the resulting TAF model to explore whether new statistical PSV models can better describe our new global compilation.

Seismic Safety Of Simple Masonry Buildings

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

Guadagnuolo, Mariateresa; Faella, Giuseppe

2008-07-08

Several masonry buildings comply with the rules for simple buildings provided by seismic codes. For these buildings explicit safety verifications are not compulsory if specific code rules are fulfilled. In fact it is assumed that their fulfilment ensures a suitable seismic behaviour of buildings and thus adequate safety under earthquakes. Italian and European seismic codes differ in the requirements for simple masonry buildings, mostly concerning the building typology, the building geometry and the acceleration at site. Obviously, a wide percentage of buildings assumed simple by codes should satisfy the numerical safety verification, so that no confusion and uncertainty have tomore » be given rise to designers who must use the codes. This paper aims at evaluating the seismic response of some simple unreinforced masonry buildings that comply with the provisions of the new Italian seismic code. Two-story buildings, having different geometry, are analysed and results from nonlinear static analyses performed by varying the acceleration at site are presented and discussed. Indications on the congruence between code rules and results of numerical analyses performed according to the code itself are supplied and, in this context, the obtained result can provide a contribution for improving the seismic code requirements.« less

A search for Potential Impact Sites in Southern Argentina

NASA Astrophysics Data System (ADS)

Rocca, M. C. L.

The Southern part of Argentina is composed of five Provinces; Tierra del Fuego, Santa Cruz, Chubut, Rio Negro and Neuquen. A search for potential impact sites was performed by the author through the examination of 76 color LANDSAT satellite images ( 1:250,000 - resolution = 250 meters ) at the Instituto Geografico Militar ( IGM ) of Buenos Aires city. When a potential candidate was found a more detailed study of the site was done. If available the radar X-SAR satellite images of the Deutsche Forschungsanstalt fur Luft-und Raumfahrt, (DLR), Berlin, Germany , were also examined. The final step was to perform a review of the available published geologic information of each site at the Servicio Geologico y Minero Argentino ( SEGEMAR ), ( =Geological Survey of Argentina ), in Buenos Aires. The resulting catalogue contains information about sites where possible simple crater or complex impact structures could be present. Each case demands future detailed and `in situ' research by an impact cratering specialist. --Tierra del Fuego: TF1 ) Ushuaia 5569-II, No 218. Cerro Taarsh, Estancia San Justo. Possible complex structure. Semi-circular area of concentric low ridges. Estimated diameter : 12 km. Probably very eroded. --Santa Cruz: SC1 ) Gobernador Gregores 4969-I, No 127. Estancia La Aragonesa Possible eroded complex structure. Circular area of low ridges, estimated diameter: 10 km.. Bull's eye like morphology. SC2 ) Gobernador Gregores 4969-I, No 127. Gran Altiplanicie Central. Possible simple crater in basalts. Diameter: 1 km.. SC3 ) Tres Lagos 4972-IV, No 106. Meseta del Bagual Chico. Possible perfectly circular simple crater in basalts. Diameter: 1.0 km.. SC4 )Paso Rio Bote 5172-II, No 20. Rio Pelque, Ruta Provincial No 5. A circular bowl-shaped structure is present on fluvial deposits of pleistocenic age. Diameter: 3.5 km.. SC5 ) Caleta Olivia 4769-II, No 28. North of Cerro Doce Grande. Possible complex structure of concentric circular rings of ridges. SC6 ) Caleta Olivia 4769-II, No 28. NW shore of Laguna Sirven. Possible simple crater of 2.5 km. Most probably, the circular crater is a basaltic caldera of upper Miocene's age. SC7 ) Destacamento La Maria 4769-II, No 188. Estancia Los Mellizos, Ruta Provincial No 39. Possible eroded and covered complex structure. In this site there is a semi-circular feature of ridges and low hills. Diameter: 15 km. Topographic map shows the same pattern. The DLR's X-SAR images show a clear semi-circular feature of ridges and hills in this site. SC8 ) Hipolito Irigoyen 4772-IV, No 116. Meseta del Lago Buenos Aires. Possible perfectly circular simple crater of 1 Km. Neuquen: N1 ) Picun Leufu 3969-III No 14. Meseta de la Barda Negra. Nice perfectly circular possible simple crater in black Miocene's ( 14-10 Ma ) basaltic plateau. Diameter: 1.5 km.. Possible raised rim. Fresh aspect. No visible lava flows .

RAETRAD-F: VERSION 1.1 USER'S GUIDE FOR ANALYZING SITE-SPECIFIC MEASUREMENTS OF SOIL RADON POTENTIAL CATEGORY FOR FLORIDA HOUSES

EPA Science Inventory

The document describes RAETRAD-F (RAdon Emanation and TRAnsport into Dwellings--Florida), a computer code that provides a simple way to analyze site-specific soil measurements to estimate upper-limit indoor radon concentrations in a reference house on a site. The code uses data f...

Simple Enough--Even for Web Virgins: Lisa Mitten's Access to Native American Web Sites. Web Site Review Essay.

ERIC Educational Resources Information Center

Belgarde, Mary Jiron

1998-01-01

A mixed-blood Mohawk urban Indian and university librarian, Lisa Mitten provides access to Web sites with solid information about American Indians. Links are provided to 10 categories--Native nations, Native organizations, Indian education, Native media, powwows and festivals, Indian music, Native arts, Native businesses, and Indian-oriented home…

Have You Googled Your Teacher Lately? Teachers' Use of Social Networking Sites

ERIC Educational Resources Information Center

Carter, Heather L.; Foulger, Teresa S.; Ewbank, Ann Dutton

2008-01-01

Social networking sites are interactive websites designed to build online communities for individuals who have something in common--an interest in a hobby, a topic, or an organization--and a simple desire to communicate across physical boundaries with other interested people. These sites are not unlike the old-fashioned "party line" telephones,…

A Guide to Fast and Simple Web Site Development. Using Microsoft FrontPage.

ERIC Educational Resources Information Center

La, Minh; Beachler, Judith

Designed by California's Los Rios Community College District for use in instructional workshops, this guide is intended to help institutional researchers create World Wide Web sites using Microsoft FrontPage (MF) software. The first part of the guide presents practical suggestions for working with the software to create a site, covering the…

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

Pau, G. S. H.; Bisht, G.; Riley, W. J.

Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO 2, CH 4) exchanges with the atmosphere range from the molecular scale (pore-scale O 2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" thatmore » reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10 3) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.« less

Soil CO2 efflux from two mountain forests in the eastern Himalayas, Bhutan: components and controls

NASA Astrophysics Data System (ADS)

Wangdi, Norbu; Mayer, Mathias; Prasad Nirola, Mani; Zangmo, Norbu; Orong, Karma; Uddin Ahmed, Iftekhar; Darabant, Andras; Jandl, Robert; Gratzer, Georg; Schindlbacher, Andreas

2017-01-01

The biogeochemistry of mountain forests in the Hindu Kush Himalaya range is poorly studied, although climate change is expected to disproportionally affect the region. We measured the soil CO2 efflux (Rs) at a high-elevation (3260 m) mixed forest and a lower-elevation (2460 m) broadleaf forest in Bhutan, eastern Himalayas, during 2015. Trenching was applied to estimate the contribution of autotrophic (Ra) and heterotrophic (Rh) soil respiration. The temperature (Q10) and the moisture sensitivities of Rh were determined under controlled laboratory conditions and were used to model Rh in the field. The higher-elevation mixed forest had a higher standing tree stock, reflected in higher soil C stocks and basal soil respiration. Annual Rs was similar between the two forest sites (14.5 ± 1.2 t C ha-1 for broadleaf; 12.8 ± 1.0 t C ha-1 for mixed). Modelled annual contribution of Rh was ˜ 65 % of Rs at both sites with a higher heterotrophic contribution during winter and lower contribution during the monsoon season. Rh, estimated from trenching, was in the range of modelled Rh but showed higher temporal variability. The measured temperature sensitivity of Rh was similar at the mixed and broadleaf forest sites (Q10 2.2-2.3) under intermediate soil moisture but decreased (Q10 1.5 at both sites) in dry soil. Rs closely followed the annual course of field soil temperature at both sites. Covariation between soil temperature and moisture (cold dry winters and warm wet summers) was likely the main cause for this close relationship. Under the prevailing weather conditions, a simple temperature-driven model was able to explain more than 90 % of the temporal variation in Rs. A longer time series and/or experimental climate manipulations are required to understand the effects of eventually occurring climate extremes such as monsoon failures.

Prioritizing ecological restoration among sites in multi-stressor landscapes.

PubMed

Neeson, Thomas M; Smith, Sigrid D P; Allan, J David; McIntyre, Peter B

2016-09-01

Most ecosystems are impacted by multiple local and long-distance stressors, many of which interact in complex ways. We present a framework for prioritizing ecological restoration efforts among sites in multi-stressor landscapes. Using a simple model, we show that both the economic and sociopolitical costs of restoration will typically be lower at sites with a relatively small number of severe problems than at sites with numerous lesser problems. Based on these results, we propose using cumulative stress and evenness of stressor impact as complementary indices that together reflect key challenges of restoring a site to improved condition. To illustrate this approach, we analyze stressor evenness across the world's rivers and the Laurentian Great Lakes. This exploration reveals that evenness and cumulative stress are decoupled, enabling selection of sites where remediating a modest number of high-intensity stressors could substantially reduce cumulative stress. Just as species richness and species evenness are fundamental axes of biological diversity, we argue that cumulative stress and stressor evenness constitute fundamental axes for identifying restoration opportunities in multi-stressor landscapes. Our results highlight opportunities to boost restoration efficiency through strategic use of multi-stressor datasets to identify sites that maximize ecological response per stressor remediated. This prioritization framework can also be expanded to account for the feasibility of remediation and the expected societal benefits of restoration projects. © 2016 by the Ecological Society of America.

Improving operational land surface model canopy evapotranspiration in Africa using a direct remote sensing approach

NASA Astrophysics Data System (ADS)

Marshall, M.; Tu, K.; Funk, C.; Michaelsen, J.; Williams, P.; Williams, C.; Ardö, J.; Boucher, M.; Cappelaere, B.; de Grandcourt, A.; Nickless, A.; Nouvellon, Y.; Scholes, R.; Kutsch, W.

2013-03-01

Climate change is expected to have the greatest impact on the world's economically poor. In the Sahel, a climatically sensitive region where rain-fed agriculture is the primary livelihood, expected decreases in water supply will increase food insecurity. Studies on climate change and the intensification of the water cycle in sub-Saharan Africa are few. This is due in part to poor calibration of modeled evapotranspiration (ET), a key input in continental-scale hydrologic models. In this study, a remote sensing model of transpiration (the primary component of ET), driven by a time series of vegetation indices, was used to substitute transpiration from the Global Land Data Assimilation System realization of the National Centers for Environmental Prediction, Oregon State University, Air Force, and Hydrology Research Laboratory at National Weather Service Land Surface Model (GNOAH) to improve total ET model estimates for monitoring purposes in sub-Saharan Africa. The performance of the hybrid model was compared against GNOAH ET and the remote sensing method using eight eddy flux towers representing major biomes of sub-Saharan Africa. The greatest improvements in model performance were at humid sites with dense vegetation, while performance at semi-arid sites was poor, but better than the models before hybridization. The reduction in errors using the hybrid model can be attributed to the integration of a simple canopy scheme that depends primarily on low bias surface climate reanalysis data and is driven primarily by a time series of vegetation indices.

Spatiotemporal modelling of viral infection dynamics

NASA Astrophysics Data System (ADS)

Beauchemin, Catherine

Viral kinetics have been studied extensively in the past through the use of ordinary differential equations describing the time evolution of the diseased state in a spatially well-mixed medium. However, emerging spatial structures such as localized populations of dead cells might affect the spread of infection, similar to the manner in which a counter-fire can stop a forest fire from spreading. In the first phase of the project, a simple two-dimensional cellular automaton model of viral infections was developed. It was validated against clinical immunological data for uncomplicated influenza A infections and shown to be accurate enough to adequately model them. In the second phase of the project, the simple two-dimensional cellular automaton model was used to investigate the effects of relaxing the well-mixed assumption on viral infection dynamics. It was shown that grouping the initially infected cells into patches rather than distributing them uniformly on the grid reduced the infection rate as only cells on the perimeter of the patch have healthy neighbours to infect. Use of a local epithelial cell regeneration rule where dead cells are replaced by healthy cells when an immediate neighbour divides was found to result in more extensive damage of the epithelium and yielded a better fit to experimental influenza A infection data than a global regeneration rule based on division rate of healthy cell. Finally, the addition of immune cell at the site of infection was found to be a better strategy at low infection levels, while addition at random locations on the grid was the better strategy at high infection level. In the last project, the movement of T cells within lymph nodes in the absence of antigen, was investigated. Based on individual T cell track data captured by two-photon microscopy experiments in vivo, a simple model was proposed for the motion of T cells. This is the first step towards the implementation of a more realistic spatiotemporal model of HIV than those proposed thus far.

Floating Chip Mounting System Driven by Repulsive Force of Permanent Magnets for Multiple On-Site SPR Immunoassay Measurements

PubMed Central

Horiuchi, Tsutomu; Tobita, Tatsuya; Miura, Toru; Iwasaki, Yuzuru; Seyama, Michiko; Inoue, Suzuyo; Takahashi, Jun-ichi; Haga, Tsuneyuki; Tamechika, Emi

2012-01-01

We have developed a measurement chip installation/removal mechanism for a surface plasmon resonance (SPR) immunoassay analysis instrument designed for frequent testing, which requires a rapid and easy technique for changing chips. The key components of the mechanism are refractive index matching gel coated on the rear of the SPR chip and a float that presses the chip down. The refractive index matching gel made it possible to optically couple the chip and the prism of the SPR instrument easily via elastic deformation with no air bubbles. The float has an autonomous attitude control function that keeps the chip parallel in relation to the SPR instrument by employing the repulsive force of permanent magnets between the float and a float guide located in the SPR instrument. This function is realized by balancing the upward elastic force of the gel and the downward force of the float, which experiences a leveling force from the float guide. This system makes it possible to start an SPR measurement immediately after chip installation and to remove the chip immediately after the measurement with a simple and easy method that does not require any fine adjustment. Our sensor chip, which we installed using this mounting system, successfully performed an immunoassay measurement on a model antigen (spiked human-IgG) in a model real sample (non-homogenized milk) that included many kinds of interfering foreign substances without any sample pre-treatment. The ease of the chip installation/removal operation and simple measurement procedure are suitable for frequent on-site agricultural, environmental and medical testing. PMID:23202030

Biochemical evolution III: Polymerization on organophilic silica-rich surfaces, crystal–chemical modeling, formation of first cells, and geological clues

PubMed Central

Smith, Joseph V.; Arnold, Frederick P.; Parsons, Ian; Lee, Martin R.

1999-01-01

Catalysis at organophilic silica-rich surfaces of zeolites and feldspars might generate replicating biopolymers from simple chemicals supplied by meteorites, volcanic gases, and other geological sources. Crystal–chemical modeling yielded packings for amino acids neatly encapsulated in 10-ring channels of the molecular sieve silicalite-ZSM-5-(mutinaite). Calculation of binding and activation energies for catalytic assembly into polymers is progressing for a chemical composition with one catalytic Al–OH site per 25 neutral Si tetrahedral sites. Internal channel intersections and external terminations provide special stereochemical features suitable for complex organic species. Polymer migration along nano/micrometer channels of ancient weathered feldspars, plus exploitation of phosphorus and various transition metals in entrapped apatite and other microminerals, might have generated complexes of replicating catalytic biomolecules, leading to primitive cellular organisms. The first cell wall might have been an internal mineral surface, from which the cell developed a protective biological cap emerging into a nutrient-rich “soup.” Ultimately, the biological cap might have expanded into a complete cell wall, allowing mobility and colonization of energy-rich challenging environments. Electron microscopy of honeycomb channels inside weathered feldspars of the Shap granite (northwest England) has revealed modern bacteria, perhaps indicative of Archean ones. All known early rocks were metamorphosed too highly during geologic time to permit simple survival of large-pore zeolites, honeycombed feldspar, and encapsulated species. Possible microscopic clues to the proposed mineral adsorbents/catalysts are discussed for planning of systematic study of black cherts from weakly metamorphosed Archaean sediments. PMID:10097060

The diffusivity and solubility of deuterium in a high chromium martensitic steel

NASA Astrophysics Data System (ADS)

Forcey, K. S.; Iordanova, I.; Yaneva, M.

1997-01-01

The permeability, diffusivity and solubility of deuterium in the martensitic stainless steel MANET II have been studied in the temperature range 194-465°C by applying a time dependent gas-phase permeation technique. It was found that the temperature dependence of diffusivity and solubility could not be described by a simple Arrhenius expression over the entire temperature range investigated. At lower temperatures (below about 330°C) the diffusivity was found to be greatly reduced by the effects of trapping. Oriani's model has been applied to obtain the trapping energy and number density of the traps as well as the relative amounts of deuterium dissolved at lattice and trap sites. It is suggested that the most likely sites for trapping are at interfaces between the martensitic laths and between second phase particles and the surrounding metal matrix.

Single-molecule analysis of a molecular disassemblase reveals the mechanism of Hsc70-driven clathrin uncoating

PubMed Central

Böcking, Till; Aguet, François; Harrison, Stephen C.; Kirchhausen, Tomas

2010-01-01

Heat shock cognate protein 70 (Hsc70) supports remodeling of protein complexes -- for example, disassembly of clathrin coats on endocytic coated vesicles. To understand how a simple ATP driven molecular clamp catalyzes a large-scale disassembly reaction, we have used single-particle fluorescence imaging to track the dynamics of Hsc70 and its clathrin substrate in real time. Hsc70 accumulates to a critical level, determined by kinetic modeling to be one Hsc70 for every two functional attachment sites; rapid, all-or-none uncoating then ensues. We propose that Hsc70 traps conformational distortions, seen previously by electron cryomicroscopy, in the vicinity of each occupied site and that accumulation of local strains destabilises the clathrin lattice. Capture of conformational fluctuations may be a general mechanism for chaperone-driven disassembly of protein complexes. PMID:21278753

Wind data for wind driven plant. [site selection for optimal performance

NASA Technical Reports Server (NTRS)

Stodhart, A. H.

1973-01-01

Simple, averaged wind velocity data provide information on energy availability, facilitate generator site selection and enable appropriate operating ranges to be established for windpowered plants. They also provide a basis for the prediction of extreme wind speeds.

Checklist for School Maintenance Surveys.

ERIC Educational Resources Information Center

Maryland State Dept. of Education, Baltimore.

This document is a simple 34-category checklist to be used by technicians conducting maintenance surveys. Categories includes: roadways & parking lots; site appearance; site utilities; exterior appearance; playground equipment; exterior structural conditions; gutters and downspouts; windows and caulking; sidewalks; entryways and exit doors;…

Multicomponent ensemble models to forecast induced seismicity

NASA Astrophysics Data System (ADS)

Király-Proag, E.; Gischig, V.; Zechar, J. D.; Wiemer, S.

2018-01-01

In recent years, human-induced seismicity has become a more and more relevant topic due to its economic and social implications. Several models and approaches have been developed to explain underlying physical processes or forecast induced seismicity. They range from simple statistical models to coupled numerical models incorporating complex physics. We advocate the need for forecast testing as currently the best method for ascertaining if models are capable to reasonably accounting for key physical governing processes—or not. Moreover, operational forecast models are of great interest to help on-site decision-making in projects entailing induced earthquakes. We previously introduced a standardized framework following the guidelines of the Collaboratory for the Study of Earthquake Predictability, the Induced Seismicity Test Bench, to test, validate, and rank induced seismicity models. In this study, we describe how to construct multicomponent ensemble models based on Bayesian weightings that deliver more accurate forecasts than individual models in the case of Basel 2006 and Soultz-sous-Forêts 2004 enhanced geothermal stimulation projects. For this, we examine five calibrated variants of two significantly different model groups: (1) Shapiro and Smoothed Seismicity based on the seismogenic index, simple modified Omori-law-type seismicity decay, and temporally weighted smoothed seismicity; (2) Hydraulics and Seismicity based on numerically modelled pore pressure evolution that triggers seismicity using the Mohr-Coulomb failure criterion. We also demonstrate how the individual and ensemble models would perform as part of an operational Adaptive Traffic Light System. Investigating seismicity forecasts based on a range of potential injection scenarios, we use forecast periods of different durations to compute the occurrence probabilities of seismic events M ≥ 3. We show that in the case of the Basel 2006 geothermal stimulation the models forecast hazardous levels of seismicity days before the occurrence of felt events.

An individual-based modelling approach to estimate landscape connectivity for bighorn sheep (Ovis canadensis).

PubMed

Allen, Corrie H; Parrott, Lael; Kyle, Catherine

2016-01-01

Background. Preserving connectivity, or the ability of a landscape to support species movement, is among the most commonly recommended strategies to reduce the negative effects of climate change and human land use development on species. Connectivity analyses have traditionally used a corridor-based approach and rely heavily on least cost path modeling and circuit theory to delineate corridors. Individual-based models are gaining popularity as a potentially more ecologically realistic method of estimating landscape connectivity. However, this remains a relatively unexplored approach. We sought to explore the utility of a simple, individual-based model as a land-use management support tool in identifying and implementing landscape connectivity. Methods. We created an individual-based model of bighorn sheep (Ovis canadensis) that simulates a bighorn sheep traversing a landscape by following simple movement rules. The model was calibrated for bighorn sheep in the Okanagan Valley, British Columbia, Canada, a region containing isolated herds that are vital to conservation of the species in its northern range. Simulations were run to determine baseline connectivity between subpopulations in the study area. We then applied the model to explore two land management scenarios on simulated connectivity: restoring natural fire regimes and identifying appropriate sites for interventions that would increase road permeability for bighorn sheep. Results. This model suggests there are no continuous areas of good habitat between current subpopulations of sheep in the study area; however, a series of stepping-stones or circuitous routes could facilitate movement between subpopulations and into currently unoccupied, yet suitable, bighorn habitat. Restoring natural fire regimes or mimicking fire with prescribed burns and tree removal could considerably increase bighorn connectivity in this area. Moreover, several key road crossing sites that could benefit from wildlife overpasses were identified. Discussion. By linking individual-scale movement rules to landscape-scale outcomes, our individual-based model of bighorn sheep allows for the exploration of how on-the-ground management or conservation scenarios may increase functional connectivity for the species in the study area. More generally, this study highlights the usefulness of individual-based models to identify how a species makes broad use of a landscape for movement. Application of this approach can provide effective quantitative support for decision makers seeking to incorporate wildlife conservation and connectivity into land use planning.

An individual-based modelling approach to estimate landscape connectivity for bighorn sheep (Ovis canadensis)

PubMed Central

Allen, Corrie H.; Kyle, Catherine

2016-01-01

Background. Preserving connectivity, or the ability of a landscape to support species movement, is among the most commonly recommended strategies to reduce the negative effects of climate change and human land use development on species. Connectivity analyses have traditionally used a corridor-based approach and rely heavily on least cost path modeling and circuit theory to delineate corridors. Individual-based models are gaining popularity as a potentially more ecologically realistic method of estimating landscape connectivity. However, this remains a relatively unexplored approach. We sought to explore the utility of a simple, individual-based model as a land-use management support tool in identifying and implementing landscape connectivity. Methods. We created an individual-based model of bighorn sheep (Ovis canadensis) that simulates a bighorn sheep traversing a landscape by following simple movement rules. The model was calibrated for bighorn sheep in the Okanagan Valley, British Columbia, Canada, a region containing isolated herds that are vital to conservation of the species in its northern range. Simulations were run to determine baseline connectivity between subpopulations in the study area. We then applied the model to explore two land management scenarios on simulated connectivity: restoring natural fire regimes and identifying appropriate sites for interventions that would increase road permeability for bighorn sheep. Results. This model suggests there are no continuous areas of good habitat between current subpopulations of sheep in the study area; however, a series of stepping-stones or circuitous routes could facilitate movement between subpopulations and into currently unoccupied, yet suitable, bighorn habitat. Restoring natural fire regimes or mimicking fire with prescribed burns and tree removal could considerably increase bighorn connectivity in this area. Moreover, several key road crossing sites that could benefit from wildlife overpasses were identified. Discussion. By linking individual-scale movement rules to landscape-scale outcomes, our individual-based model of bighorn sheep allows for the exploration of how on-the-ground management or conservation scenarios may increase functional connectivity for the species in the study area. More generally, this study highlights the usefulness of individual-based models to identify how a species makes broad use of a landscape for movement. Application of this approach can provide effective quantitative support for decision makers seeking to incorporate wildlife conservation and connectivity into land use planning. PMID:27168997

A Structural Equation Model Analysis of Relationships among ENSO, Seasonal Descriptors and Wildfires

PubMed Central

Slocum, Matthew G.; Orzell, Steve L.

2013-01-01

Seasonality drives ecological processes through networks of forcings, and the resultant complexity requires creative approaches for modeling to be successful. Recently ecologists and climatologists have developed sophisticated methods for fully describing seasons. However, to date the relationships among the variables produced by these methods have not been analyzed as networks, but rather with simple univariate statistics. In this manuscript we used structural equation modeling (SEM) to analyze a proposed causal network describing seasonality of rainfall for a site in south-central Florida. We also described how this network was influenced by the El Niño-Southern Oscillation (ENSO), and how the network in turn affected the site’s wildfire regime. Our models indicated that wet and dry seasons starting later in the year (or ending earlier) were shorter and had less rainfall. El Niño conditions increased dry season rainfall, and via this effect decreased the consistency of that season’s drying trend. El Niño conditions also negatively influenced how consistent the moistening trend was during the wet season, but in this case the effect was direct and did not route through rainfall. In modeling wildfires, our models showed that area burned was indirectly influenced by ENSO via its effect on dry season rainfall. Area burned was also indirectly reduced when the wet season had consistent rainfall, as such wet seasons allowed fewer wildfires in subsequent fire seasons. Overall area burned at the study site was estimated with high accuracy (R 2 score = 0.63). In summary, we found that by using SEMs, we were able to clearly describe causal patterns involving seasonal climate, ENSO and wildfire. We propose that similar approaches could be effectively applied to other sites where seasonality exerts strong and complex forcings on ecological processes. PMID:24086670

Comparing two tools for ecosystem service assessments regarding water resources decisions.

PubMed

Dennedy-Frank, P James; Muenich, Rebecca Logsdon; Chaubey, Indrajeet; Ziv, Guy

2016-07-15

We present a comparison of two ecohydrologic models commonly used for planning land management to assess the production of hydrologic ecosystem services: the Soil and Water Assessment Tool (SWAT) and the Integrated Valuation of Ecosystem Services and Tradeoffs (InVEST) annual water yield model. We compare these two models at two distinct sites in the US: the Wildcat Creek Watershed in Indiana and the Upper Upatoi Creek Watershed in Georgia. The InVEST and SWAT models provide similar estimates of the spatial distribution of water yield in Wildcat Creek, but very different estimates of the spatial distribution of water yield in Upper Upatoi Creek. The InVEST model may do a poor job estimating the spatial distribution of water yield in the Upper Upatoi Creek Watershed because baseflow provides a significant portion of the site's total water yield, which means that storage dynamics which are not modeled by InVEST may be important. We also compare the ability of these two models, as well as one newly developed set of ecosystem service indices, to deliver useful guidance for land management decisions focused on providing hydrologic ecosystem services in three particular decision contexts: environmental flow ecosystem services, ecosystem services for potable water supply, and ecosystem services for rainfed irrigation. We present a simple framework for selecting models or indices to evaluate hydrologic ecosystem services as a way to formalize where models deliver useful guidance. Copyright © 2016 Elsevier Ltd. All rights reserved.

Quantum Theories of Self-Localization

NASA Astrophysics Data System (ADS)

Bernstein, Lisa Joan

In the classical dynamics of coupled oscillator systems, nonlinearity leads to the existence of stable solutions in which energy remains localized for all time. Here the quantum-mechanical counterpart of classical self-localization is investigated in the context of two model systems. For these quantum models, the terms corresponding to classical nonlinearities modify a subset of the stationary quantum states to be particularly suited to the creation of nonstationary wavepackets that localize energy for long times. The first model considered here is the Quantized Discrete Self-Trapping model (QDST), a system of anharmonic oscillators with linear dispersive coupling used to model local modes of vibration in polyatomic molecules. A simple formula is derived for a particular symmetry class of QDST systems which gives an analytic connection between quantum self-localization and classical local modes. This formula is also shown to be useful in the interpretation of the vibrational spectra of some molecules. The second model studied is the Frohlich/Einstein Dimer (FED), a two-site system of anharmonically coupled oscillators based on the Frohlich Hamiltonian and motivated by the theory of Davydov solitons in biological protein. The Born-Oppenheimer perturbation method is used to obtain approximate stationary state wavefunctions with error estimates for the FED at the first excited level. A second approach is used to reduce the first excited level FED eigenvalue problem to a system of ordinary differential equations. A simple theory of low-energy self-localization in the FED is discussed. The quantum theories of self-localization in the intrinsic QDST model and the extrinsic FED model are compared.

A frictional population model of seismicity rate change

USGS Publications Warehouse

Gomberg, J.; Reasenberg, P.; Cocco, M.; Belardinelli, M.E.

2005-01-01

We study models of seismicity rate changes caused by the application of a static stress perturbation to a population of faults and discuss our results with respect to the model proposed by Dieterich (1994). These models assume distribution of nucleation sites (e.g., faults) obeying rate-state frictional relations that fail at constant rate under tectonic loading alone, and predicts a positive static stress step at time to will cause an immediate increased seismicity rate that decays according to Omori's law. We show one way in which the Dieterich model may be constructed from simple general idead, illustratted using numerically computed synthetic seismicity and mathematical formulation. We show that seismicity rate change predicted by these models (1) depend on the particular relationship between the clock-advanced failure and fault maturity, (2) are largest for the faults closest to failure at to, (3) depend strongly on which state evolution law faults obey, and (4) are insensitive to some types of population hetrogeneity. We also find that if individual faults fail repeatedly and populations are finite, at timescales much longer than typical aftershock durations, quiescence follows at seismicity rate increase regardless of the specific frictional relations. For the examined models the quiescence duration is comparable to the ratio of stress change to stressing rate ????/??,which occurs after a time comparable to the average recurrence interval of the individual faults in the population and repeats in the absence of any new load may pertubations; this simple model may partly explain observations of repeated clustering of earthquakes. Copyright 2005 by the American Geophysical Union.

Artificialized land characteristics and sediment connectivity explain muddy flood hazard in Wallonia

NASA Astrophysics Data System (ADS)

de Walque, Baptiste; Bielders, Charles; Degré, Aurore; Maugnard, Alexandre

2017-04-01

Muddy flood occurrence is an off-site erosion problem of growing interest in Europe and in particular in the loess belt and Condroz regions of Wallonia (Belgium). In order to assess the probability of occurrence of muddy floods in specific places, a muddy flood hazard prediction model has been built. It was used to test 11 different explanatory variables in simple and multiple logistic regressions approaches. A database of 442 muddy flood-affected sites and an equal number of homologous non flooded sites was used. For each site, relief, land use, sediment production and sediment connectivity of the contributing area were extracted. To assess the prediction quality of the model, we proceeded to a validation using 48 new pairs of homologous sites. Based on Akaïke Information Criterion (AIC), we determined that the best muddy flood hazard assessment model requires a total of 6 explanatory variable as inputs: the spatial aggregation of the artificialized land, the sediment connectivity, the artificialized land proximity to the outlet, the proportion of artificialized land, the mean slope and the Gravelius index of compactness of the contributive area. The artificialized land properties listed above showed to improve substantially the model quality (p-values from 10e-10 to 10e-4). All of the 3 properties showed negative correlation with the muddy flood hazard. These results highlight the importance of considering the artificialized land characteristics in the sediment transport assessment models. Indeed, artificialized land such as roads may dramatically deviate flows and influence the connectivity in the landscape. Besides the artificialized land properties, the sediment connectivity showed significant explanatory power (p-value of 10e-11). A positive correlation between the sediment connectivity and the muddy flood hazard was found, ranging from 0.3 to 0.45 depending on the sediment connectivity index. Several studies already have highlighted the importance of this parameter in the sediment transport characterization in the landscape. Using the best muddy flood probability of occurrence threshold value of 0.49, the validation of the best multiple logistic regression resulted in a prediction quality of 75.6% (original dataset) and 81.2% (secondary dataset). The developed statistical model could be used as a reliable tool to target muddy floods mitigation measures in sites resulting with the highest muddy floods hazard.

Source characteristics of the 3 September 2017, North Korean nuclear test (mb = 6.3) inferred from teleseismic forward modeling and regional waveform deconvolution of broadband P and Pn waves

NASA Astrophysics Data System (ADS)

Chaves, E. J.; Lay, T.; Voytan, D. P.

2017-12-01

On 3 September 2017, the Republic of North Korea conducted the sixth and largest declared underground nuclear test at the Punggye-ri test site. Estimates of yield (W) based on magnitude-yield calibrations for other test sites result in a wide range of yield estimates for the North Korean tests, due to uncertainty in the effects of site-specific coupling, likely overburial of the events, and poorly constrained crustal and mantle attenuation for the test site. The event produced good signal-to-noise broadband (BB) teleseismic P wave recordings at hundreds of stations along with high quality regional recordings. When using teleseismic data, robust estimation of W and depth of burial (DOB) must account for the biasing effects of laterally varying upper mantle attenuation (t*) on P waves, so we empirically determine a best choice of average t* by modeling remote observations. We assume a Mueller-Murphy source model for a granite medium to address the coupling issue. We compute synthetic Reduced Velocity Potential (RVP) seismograms for varying combinations of W and DOB for the 2017 event for a simple half-space case to account for possible overburial effects. RVPs are convolved with Futterman, constant operators, corrected for geometric spreading and receiver function, and then compared with teleseismic P wave displacement records from 435 BB seismic stations, pre-stacked in 26 azimuth and distance bins to suppress station effects. Our preliminary results for half-space modeling give high average cross-correlations and low waveform misfit errors between synthetic and observed waveforms for W of 110-130 kt with DOB 700-800 m and a preferred t* = 0.98 s. For the Mueller-Murphy model we find that frequency-dependent absorption band models are not preferred for this test site. Ongoing analysis is exploring effects of receiver crustal layering. Furthermore, we characterize the explosion source time function using the vertical component Pn-waves from regional BB recordings. We correct for attenuation, site and path effects using the lower yield nuclear tests carried out in 2016, 2013 and 2009 as empirical Green's functions. The deconvolved relative source functions exhibit a complex time sequence, with a second peak possibly related to a deviatoric source activated during the large explosion.

The transition probability and the probability for the left-most particle's position of the q-totally asymmetric zero range process

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

Korhonen, Marko; Lee, Eunghyun

2014-01-15

We treat the N-particle zero range process whose jumping rates satisfy a certain condition. This condition is required to use the Bethe ansatz and the resulting model is the q-boson model by Sasamoto and Wadati [“Exact results for one-dimensional totally asymmetric diffusion models,” J. Phys. A 31, 6057–6071 (1998)] or the q-totally asymmetric zero range process (TAZRP) by Borodin and Corwin [“Macdonald processes,” Probab. Theory Relat. Fields (to be published)]. We find the explicit formula of the transition probability of the q-TAZRP via the Bethe ansatz. By using the transition probability we find the probability distribution of the left-most particle'smore » position at time t. To find the probability for the left-most particle's position we find a new identity corresponding to identity for the asymmetric simple exclusion process by Tracy and Widom [“Integral formulas for the asymmetric simple exclusion process,” Commun. Math. Phys. 279, 815–844 (2008)]. For the initial state that all particles occupy a single site, the probability distribution of the left-most particle's position at time t is represented by the contour integral of a determinant.« less

Estimating population trends with a linear model: Technical comments

USGS Publications Warehouse

Sauer, John R.; Link, William A.; Royle, J. Andrew

2004-01-01

Controversy has sometimes arisen over whether there is a need to accommodate the limitations of survey design in estimating population change from the count data collected in bird surveys. Analyses of surveys such as the North American Breeding Bird Survey (BBS) can be quite complex; it is natural to ask if the complexity is necessary, or whether the statisticians have run amok. Bart et al. (2003) propose a very simple analysis involving nothing more complicated than simple linear regression, and contrast their approach with model-based procedures. We review the assumptions implicit to their proposed method, and document that these assumptions are unlikely to be valid for surveys such as the BBS. One fundamental limitation of a purely design-based approach is the absence of controls for factors that influence detection of birds at survey sites. We show that failure to model observer effects in survey data leads to substantial bias in estimation of population trends from BBS data for the 20 species that Bart et al. (2003) used as the basis of their simulations. Finally, we note that the simulations presented in Bart et al. (2003) do not provide a useful evaluation of their proposed method, nor do they provide a valid comparison to the estimating- equations alternative they consider.

Applications of the U.S. Geological Survey's global land cover product

USGS Publications Warehouse

Reed, B.

1997-01-01

The U.S. Geological Survey (USGS), in partnership with several international agencies and universities, has produced a global land cover characteristics database. The land cover data were created using multitemporal analysis of advanced very high resolution radiometer satellite images in conjunction with other existing geographic data. A translation table permits the conversion of the land cover classes into several conventional land cover schemes that are used by ecosystem modelers, climate modelers, land management agencies, and other user groups. The alternative classification schemes include Global Ecosystems, the Biosphere Atmosphere Transfer Scheme, the Simple Biosphere, the USGS Anderson Level 2, and the International Geosphere Biosphere Programme. The distribution system for these data is through the World Wide Web (the web site address is: http://edcwww.cr.usgs.gov/landdaac/glcc/glcc.html) or by magnetic media upon special request The availability of the data over the World Wide Web, in conjunction with the flexible database structure, allows easy data access to a wide range of users. The web site contains a user registration form that allows analysis of the diverse applications of large-area land cover data. Currently, applications are divided among mapping (20 percent), conservation (30 percent), and modeling (35 percent).

Toward the establishment of standardized in vitro tests for lipid-based formulations, part 1: method parameterization and comparison of in vitro digestion profiles across a range of representative formulations.

PubMed

Williams, Hywel D; Sassene, Philip; Kleberg, Karen; Bakala-N'Goma, Jean-Claude; Calderone, Marilyn; Jannin, Vincent; Igonin, Annabel; Partheil, Anette; Marchaud, Delphine; Jule, Eduardo; Vertommen, Jan; Maio, Mario; Blundell, Ross; Benameur, Hassan; Carrière, Frédéric; Müllertz, Anette; Porter, Christopher J H; Pouton, Colin W

2012-09-01

The Lipid Formulation Classification System Consortium is an industry-academia collaboration, established to develop standardized in vitro methods for the assessment of lipid-based formulations (LBFs). In this first publication, baseline conditions for the conduct of digestion tests are suggested and a series of eight model LBFs are described to probe test performance across different formulation types. Digestion experiments were performed in vitro using a pH-stat apparatus and danazol employed as a model poorly water-soluble drug. LBF digestion (rate and extent) and drug solubilization patterns on digestion were examined. To evaluate cross-site reproducibility, experiments were conducted at two sites and highly consistent results were obtained. In a further refinement, bench-top centrifugation was explored as a higher throughput approach to separation of the products of digestion (and compared with ultracentrifugation), and conditions under which this method was acceptable were defined. Drug solubilization was highly dependent on LBF composition, but poorly correlated with simple performance indicators such as dispersion efficiency, confirming the utility of the digestion model as a means of formulation differentiation. Copyright © 2012 Wiley Periodicals, Inc.

On the interaction of solutes with grain boundaries

DOE PAGES

Dingreville, Remi Philippe Michel; Berbenni, Stephane

2015-11-01

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

On the interaction of solutes with grain boundaries

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

Dingreville, Remi Philippe Michel; Berbenni, Stephane

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

Reentrant and Isostructural Transitions in the Cluster-Crystal Forming GEM-4

NASA Astrophysics Data System (ADS)

Zhang, Kai; Charbonneau, Patrick; Mladek, Bianca

2011-03-01

Systems governed by soft, bounded, purely repulsive interactions show two possible equilibrium behaviors under compression: reentrant melting, as in the Gaussian core model (GCM), or clustering, as in the penetrable sphere model (PSM). The generalized exponential model of power 4 (GEM-4), which is the intermedia of the GCM and PSM with a simple isotropic pair interaction u (r) ~e-r4 , is thought to belong to the second family and was indeed found to form clusters at sufficiently high densities at high temperatures. Here, we present the low-temperature behavior of GEM-4 through Monte Carlo simulations using a specially developed free energy integration scheme. We find the phase behavior to be hybrid between the GCM and the PSM limits, showing a surprisingly rich phase behavior in spite of the simplicity of the interaction form. For instance, S- shaped doubly reentrant phase sequences and evidence of a cascade of critical isostructural transitions between crystals of different average lattice site occupancy are observed. The possible annihilation of lattice sites and accompanying clustering moreover leads to an unusual softening upon compression, which suggest that these materials may have interesting mechanical properties. We discuss possible experimental realizations and challenges of this class of materials.

Simple neck pain questions used in surveys, evaluated in relation to health outcomes: a cohort study

PubMed Central

2012-01-01

Background The high prevalence of pain reported in many epidemiological studies, and the degree to which this prevalence reflects severe pain is under discussion in the literature. The aim of the present study was to evaluate use of the simple neck pain questions commonly included in large epidemiological survey studies with respect to aspects of health. We investigated if and how an increase in number of days with pain is associated with reduction in health outcomes. Methods A cohort of university students (baseline age 19–25 years) were recruited in 2002 and followed annually for 4 years. The baseline response rate was 69% which resulted in 1200 respondents (627 women, 573 men). Participants were asked about present and past pain and perceptions of their general health, sleep disturbance, stress and energy levels, and general performance. The data were analyzed using a mixed model for repeated measurements and a random intercept logistic model. Results When reporting present pain, participants also reported lower prevalence of very good health, higher stress and sleep disturbance scores and lower energy score. Among those with current neck pain, additional questions characterizing the pain such as duration (categorized), additional pain sites and decreased general performance were associated with lower probability of very good health and higher amounts of sleep disturbance. Knowing about the presence or not of pain explains more of the variation in health between individuals, than within individuals. Conclusion This study of young university students has demonstrated that simple neck pain survey questions capture features of pain that affect aspects of health such as perceived general health, sleep disturbance, mood in terms of stress and energy. Simple pain questions are more useful for group descriptions than for describing or following pain in an individual. PMID:23102060

Simple neck pain questions used in surveys, evaluated in relation to health outcomes: a cohort study.

PubMed

Grimby-Ekman, Anna; Hagberg, Mats

2012-10-26

The high prevalence of pain reported in many epidemiological studies, and the degree to which this prevalence reflects severe pain is under discussion in the literature. The aim of the present study was to evaluate use of the simple neck pain questions commonly included in large epidemiological survey studies with respect to aspects of health. We investigated if and how an increase in number of days with pain is associated with reduction in health outcomes. A cohort of university students (baseline age 19-25 years) were recruited in 2002 and followed annually for 4 years. The baseline response rate was 69% which resulted in 1200 respondents (627 women, 573 men). Participants were asked about present and past pain and perceptions of their general health, sleep disturbance, stress and energy levels, and general performance. The data were analyzed using a mixed model for repeated measurements and a random intercept logistic model. When reporting present pain, participants also reported lower prevalence of very good health, higher stress and sleep disturbance scores and lower energy score. Among those with current neck pain, additional questions characterizing the pain such as duration (categorized), additional pain sites and decreased general performance were associated with lower probability of very good health and higher amounts of sleep disturbance. Knowing about the presence or not of pain explains more of the variation in health between individuals, than within individuals. This study of young university students has demonstrated that simple neck pain survey questions capture features of pain that affect aspects of health such as perceived general health, sleep disturbance, mood in terms of stress and energy. Simple pain questions are more useful for group descriptions than for describing or following pain in an individual.

Competitive Inhibition Mechanism of Acetylcholinesterase without Catalytic Active Site Interaction: Study on Functionalized C60 Nanoparticles via in Vitro and in Silico Assays.

PubMed

Liu, Yanyan; Yan, Bing; Winkler, David A; Fu, Jianjie; Zhang, Aiqian

2017-06-07

Acetylcholinesterase (AChE) activity regulation by chemical agents or, potentially, nanomaterials is important for both toxicology and pharmacology. Competitive inhibition via direct catalytic active sites (CAS) binding or noncompetitive inhibition through interference with substrate and product entering and exiting has been recognized previously as an AChE-inhibition mechanism for bespoke nanomaterials. The competitive inhibition by peripheral anionic site (PAS) interaction without CAS binding remains unexplored. Here, we proposed and verified the occurrence of a presumed competitive inhibition of AChE without CAS binding for hydrophobically functionalized C 60 nanoparticles (NPs) by employing both experimental and computational methods. The kinetic inhibition analysis distinguished six competitive inhibitors, probably targeting the PAS, from the pristine and hydrophilically modified C 60 NPs. A simple quantitative nanostructure-activity relationship (QNAR) model relating the pocket accessible length of substituent to inhibition capacity was then established to reveal how the geometry of the surface group decides the NP difference in AChE inhibition. Molecular docking identified the PAS as the potential binding site interacting with the NPs via a T-shaped plug-in mode. Specifically, the fullerene core covered the enzyme gorge as a lid through π-π stacking with Tyr72 and Trp286 in the PAS, while the hydrophobic ligands on the fullerene surface inserted into the AChE active site to provide further stability for the complexes. The modeling predicted that inhibition would be severely compromised by Tyr72 and Trp286 deletions, and the subsequent site-directed mutagenesis experiments proved this prediction. Our results demonstrate AChE competitive inhibition of NPs without CAS participation to gain further understanding of both the neurotoxicity and the curative effect of NPs.

Effective Use of Strategic Communication

DTIC Science & Technology

2010-03-01

disseminated to social networking sites like, MySpace, Twitter and Facebook.24 Judith McHale, the Undersecretary for Public Diplomacy and Public...Obama administration use of social networking sites and the simple posting of his speech on-line made for an effective way to disseminate the

Chemical pollution assessment and prioritisation model for the Upper and Middle Vaal water management areas of South Africa.

PubMed

Dzwairo, B; Otieno, F A O

2014-12-01

A chemical pollution assessment and prioritisation model was developed for the Upper and Middle Vaal water management areas of South Africa in order to provide a simple and practical Pollution Index to assist with mitigation and rehabilitation activities. Historical data for 2003 to 2008 from 21 river sites were cubic-interpolated to daily values. Nine parameters were considered for this purpose, that is, ammonium, chloride, electrical conductivity, dissolved oxygen, pH, fluoride, nitrate, phosphate and sulphate. Parameter selection was based on sub-catchment pollution characteristics and availability of a consistent data range, against a harmonised guideline which provided five classes. Classes 1, 2, 3 and 4 used ideal catchment background values for Vaal Dam, Vaal Barrage, Blesbokspruit/Suikerbosrant and Klip Rivers, respectively. Class 5 represented values which fell above those for Klip River. The Pollution Index, as provided by the model, identified pollution prioritisation monitoring points on Rietspruit-W:K2, Natalspruit:K12, Blesbokspruit:B1, Rietspruit-L:R1/R2, Taaibosspruit:T1 and Leeuspruit:L1. Pre-classification indicated that pollution sources were domestic, industrial and mine effluent. It was concluded that rehabilitation and mitigation measures should prioritise points with high classes. Ability of the model to perform simple scenario building and analysis was considered to be an effective tool for acid mine drainage pollution assessment.

STK Integrated Message Production List Editor (SIMPLE) for CEO Operations

NASA Technical Reports Server (NTRS)

Trenchard, Mike; Heydorn, James

2014-01-01

Late in fiscal year 2011, the Crew Earth Observations (CEO) team was tasked to upgrade and replace its mission planning and mission operations software systems, which were developed in the Space Shuttle era of the 1980s and 1990s. The impetuses for this change were the planned transition of all workstations to the Windows 7 64-bit operating system and the desire for more efficient and effective use of Satellite Tool Kit (STK) software required for reliable International Space Station (ISS) Earth location tracking. An additional requirement of this new system was the use of the same SQL database of CEO science sites from the SMMS, which was also being developed. STK Integrated Message Production List Editor (SIMPLE) is the essential, all-in-one tool now used by CEO staff to perform daily ISS mission planning to meet its requirement to acquire astronaut photography of specific sites on Earth. The sites are part of a managed, long-term database that has been defined and developed for scientific, educational, and public interest. SIMPLE's end product is a set of basic time and location data computed for an operator-selected set of targets that the ISS crew will be asked to photograph (photography is typically planned 12 to 36 hours out). The CEO operator uses SIMPLE to (a) specify a payload operations planning period; (b) acquire and validate the best available ephemeris data (vectors) for the ISS during the planning period; (c) ingest and display mission-specific site information from the CEO database; (d) identify and display potential current dynamic event targets as map features; (e) compute and display time and location information for each target; (f) screen and select targets based on known crew availability constraints, obliquity constraints, and real-time evaluated constraints to target visibility due to illumination (sun elevation) and atmospheric conditions (weather); and finally (g) incorporate basic, computed time and location information for each selected target into the daily CEO Target List product (message) for submission to ISS payload planning and integration teams for their review and approval prior to uplink. SIMPLE requires and uses the following resources: an ISS mission planning period Greenwich Mean Time start date/time and end date/time), the best available ISS mission ephemeris data (vectors) for that planning period, the STK software package configured for the ISS, and an ISS mission-specific subset of the CEO sites database. The primary advantages realized by the development and implementation of SIMPLE into the CEO payload operations support activity are a smooth transition to the Windows 7 operating system upon scheduled workstation refresh; streamlining of the input and verification of the current ISS ephemeris (vector data); seamless incorporation of selected contents of the SQL database of science sites; the ability to tag and display potential dynamic event opportunities on orbit track maps; simplification of the display and selection of encountered sites based on crew availability, illumination, obliquity, and weather constraints; the incorporation of high-quality mapping of the Earth with various satellite-based datasets for use in describing targets; and the ability to encapsulate and export the essential selected target elements in XML format for use by onboard Earth-location systems, such as Worldmap. SIMPLE is a carefully designed and crafted in-house software package that includes detailed help files for the user and meticulous internal documentation for future modifications. It was delivered in February 2012 for test and evaluation. Following acceptance, it was implemented for CEO mission operations support in May 2012.

A Comprehensive and Cost-Effective Computer Infrastructure for K-12 Schools

NASA Technical Reports Server (NTRS)

Warren, G. P.; Seaton, J. M.

1996-01-01

Since 1993, NASA Langley Research Center has been developing and implementing a low-cost Internet connection model, including system architecture, training, and support, to provide Internet access for an entire network of computers. This infrastructure allows local area networks which exceed 50 machines per school to independently access the complete functionality of the Internet by connecting to a central site, using state-of-the-art commercial modem technology, through a single standard telephone line. By locating high-cost resources at this central site and sharing these resources and their costs among the school districts throughout a region, a practical, efficient, and affordable infrastructure for providing scale-able Internet connectivity has been developed. As the demand for faster Internet access grows, the model has a simple expansion path that eliminates the need to replace major system components and re-train personnel. Observations of optical Internet usage within an environment, particularly school classrooms, have shown that after an initial period of 'surfing,' the Internet traffic becomes repetitive. By automatically storing requested Internet information on a high-capacity networked disk drive at the local site (network based disk caching), then updating this information only when it changes, well over 80 percent of the Internet traffic that leaves a location can be eliminated by retrieving the information from the local disk cache.

How to harvest solar energy with the photosynthetic reaction center

NASA Astrophysics Data System (ADS)

Balaeff, Alexander; Reyes, Justin

Photosynthetic reaction center (PRC) is a protein complex that performs a key step in photosynthesis: the electron-hole separation driven by photon absorbtion. The PRC has a great promise for applications in solar energy harvesting and photosensing. Such applications, however, are hampered by the difficulty in extracting the photogenerated electric charge from the PRC. To that end, it was proposed to attach the PRC to a molecular wire through which the charge could be collected. In order to find the attachment point for the wire that would maximize the rate of charge outflow from the PRC, we performed a computational study of the PRC from the R. virdis bacterium. An ensemble of PRC structures generated by a molecular dynamics simulation was used to calculate the rate of charge transport from the site of initial charge separation to several trial sites on the protein surface. The Pathways model was used to calculate the charge transfer rate in each step of the network of heme co-factors through which the charge transport was presumed to proceed. A simple kinetic model was then used to determine the overall rate of the multistep charge transport. The calculations revealed several candidate sites for the molecular wire attachment, recommended for experimental verification.

Making Web Sites an Effective Recruitment Asset: Content Management Solutions Keep Web Sites Fresh and Relevant--and Students Engaged. Noel-Levitz White Paper

ERIC Educational Resources Information Center

Noel-Levitz, Inc, 2009

2009-01-01

Have you updated your Web site today? Is it possible that answering "yes" to this simple question is the key to the success of your marketing and recruiting efforts? In the current recruitment arena, the ability to update and maintain this one high-value asset (your Web site) might be the key to the potency of your institutional…

Calibrating binary lumped parameter models

NASA Astrophysics Data System (ADS)

Morgenstern, Uwe; Stewart, Mike

2017-04-01

Groundwater at its discharge point is a mixture of water from short and long flowlines, and therefore has a distribution of ages rather than a single age. Various transfer functions describe the distribution of ages within the water sample. Lumped parameter models (LPMs), which are mathematical models of water transport based on simplified aquifer geometry and flow configuration can account for such mixing of groundwater of different age, usually representing the age distribution with two parameters, the mean residence time, and the mixing parameter. Simple lumped parameter models can often match well the measured time varying age tracer concentrations, and therefore are a good representation of the groundwater mixing at these sites. Usually a few tracer data (time series and/or multi-tracer) can constrain both parameters. With the building of larger data sets of age tracer data throughout New Zealand, including tritium, SF6, CFCs, and recently Halon-1301, and time series of these tracers, we realised that for a number of wells the groundwater ages using a simple lumped parameter model were inconsistent between the different tracer methods. Contamination or degradation of individual tracers is unlikely because the different tracers show consistent trends over years and decades. This points toward a more complex mixing of groundwaters with different ages for such wells than represented by the simple lumped parameter models. Binary (or compound) mixing models are able to represent a more complex mixing, with mixing of water of two different age distributions. The problem related to these models is that they usually have 5 parameters which makes them data-hungry and therefore difficult to constrain all parameters. Two or more age tracers with different input functions, with multiple measurements over time, can provide the required information to constrain the parameters of the binary mixing model. We obtained excellent results using tritium time series encompassing the passage of the bomb-tritium through the aquifer, and SF6 with its steep gradient currently in the input. We will show age tracer data from drinking water wells that enabled identification of young water ingression into wells, which poses the risk of bacteriological contamination from the surface into the drinking water.

Efficiency of time-lapse intervals and simple baits for camera surveys of wild pigs

USGS Publications Warehouse

Williams, B.L.; Holtfreter, R.W.; Ditchkoff, S.S.; Grand, J.B.

2011-01-01

Growing concerns surrounding established and expanding populations of wild pigs (Sus scrofa) have created the need for rapid and accurate surveys of these populations. We conducted surveys of a portion of the wild pig population on Fort Benning, Georgia, to determine if a longer time-lapse interval than had been previously used in surveys of wild pigs would generate similar detection results. We concurrently examined whether use of soured corn at camera sites affected the time necessary for pigs to locate a new camera site or the time pigs remained at a site. Our results suggest that a 9-min time-lapse interval generated dependable detection results for pigs and that soured corn neither attracted pigs to a site any quicker than plain, dry, whole-kernel corn, nor held them at a site longer. Maximization of time-lapse interval should decrease data and processing loads, and use of a simple, available bait should decrease cost and effort associated with more complicated baits; combination of these concepts should increase efficiency of wild pig surveys. ?? 2011 The Wildlife Society.

A gastrocnemius heterotopical transplant model with end-to-side neurorraphy.

PubMed

Jaeger, Marcos Ricardo de Oliveira; Silva, Jefferson Luis Braga; Bain, James; Ely, Pedro Bins; Pires, Jefferson André; Ferreira, Lydia Masako

2014-01-01

To present an animal model to assess the effects of end-to-side innervation in the heterotopically transplanted model with reduced chances of neural contamination. The medial portion of the gastrocnemius muscle in wistar male rats was isolated and its pedicle dissected and performed a flap in the abdominal portion. To prevent neural contamination in the abdominal region, the muscle was wrapped with a Goretex(r) sheet. The specimens were divided into 2 groups (G). In G1 was performed an end-to-end suture between tibial nerve of the gastrocnemius and femoral motor nerve and between the saphenous sensory nerve and the motor nerve. In G2 was performed a end-to-side suture between the tibial nerve and the motor femoral and between the tibial nerve and saphenous motor nerve. The specimens were evaluated 60 days later to check the structure of the neurorraphy. Sections were obtained proximal and distal to the coaptation site. The medial gastrocnemius muscle had the advantage of maintaining visible mass after 60 days. No disruption of the coaptation site was found. No major injury to the donor nerve was seen in group 2. The proposed model is simple, reproduciple and prevent the neural contamination in the flap in end-to-side suture.

Estimation by capture-recapture of recruitment and dispersal over several sites

USGS Publications Warehouse

Lebreton, J.D.; Hines, J.E.; Pradel, R.; Nichols, J.D.; Spendelow, J.A.

2003-01-01

Dispersal in animal populations is intimately linked with accession to reproduction, i.e. recruitment, and population regulation. Dispersal processes are thus a key component of population dynamics to the same extent as reproduction or mortality processes. Despite the growing interest in spatial aspects of population dynamics, the methodology for estimating dispersal, in particular in relation with recruitment, is limited. In many animal populations, in particular vertebrates, the impossibility of following individuals over space and time in an exhaustive way leads to the need to frame the estimation of dispersal in the context of capture-recapture methodology. We present here a class of age-dependent multistate capture-recapture models for the simultaneous estimation of natal dispersal, breeding dispersal, and age-dependent recruitment. These models are suitable for populations in which individuals are marked at birth and then recaptured over several sites. Under simple constraints, they can be used in populations where non-breeders are not observed, as is often the case with colonial waterbirds monitored on their breeding grounds. Biological questions can be addressed by comparing models differing in structure, according to the generalized linear model philosophy broadly used in capture-recapture methodology. We illustrate the potential of this approach by an analysis of recruitment and dispersal in the roseate tern Sterna dougallii.

Non-Abelian vortex lattices

NASA Astrophysics Data System (ADS)

Tallarita, Gianni; Peterson, Adam

2018-04-01

We perform a numerical study of the phase diagram of the model proposed in [M. Shifman, Phys. Rev. D 87, 025025 (2013)., 10.1103/PhysRevD.87.025025], which is a simple model containing non-Abelian vortices. As per the case of Abrikosov vortices, we map out a region of parameter space in which the system prefers the formation of vortices in ordered lattice structures. These are generalizations of Abrikosov vortex lattices with extra orientational moduli in the vortex cores. At sufficiently large lattice spacing the low energy theory is described by a sum of C P (1 ) theories, each located on a vortex site. As the lattice spacing becomes smaller, when the self-interaction of the orientational field becomes relevant, only an overall rotation in internal space survives.

Reactivating dynamics for the susceptible-infected-susceptible model: a simple method to simulate the absorbing phase

NASA Astrophysics Data System (ADS)

Macedo-Filho, A.; Alves, G. A.; Costa Filho, R. N.; Alves, T. F. A.

2018-04-01

We investigated the susceptible-infected-susceptible model on a square lattice in the presence of a conjugated field based on recently proposed reactivating dynamics. Reactivating dynamics consists of reactivating the infection by adding one infected site, chosen randomly when the infection dies out, avoiding the dynamics being trapped in the absorbing state. We show that the reactivating dynamics can be interpreted as the usual dynamics performed in the presence of an effective conjugated field, named the reactivating field. The reactivating field scales as the inverse of the lattice number of vertices n, which vanishes at the thermodynamic limit and does not affect any scaling properties including ones related to the conjugated field.

Global duricrust on Mars - Analysis of remote-sensing data

NASA Technical Reports Server (NTRS)

Jakosky, B. M.; Christensen, P. R.

1986-01-01

A study is conducted of the infrared thermal emission, radio thermal emission, and radar reflection data sets with the objective to obtain a simple and self-consistent model for the Mars surface. The results are compared with in situ observations at the Viking Lander sites. Attention is given to thermal inertia values, the abundance of surface rocks, radar/thermal correlations, diurnal temperature deviations, and radio emission data. It is suggested that all of the global remote-sensing data sets considered can be reconciled on the basis of variations in the degree of formation of a case-hardened crust or duricrust. On the other hand, no other model which has been proposed in conjunction with any individual data set can satisfy all of the constraints discussed.

Selection of intracellular calcium patterns in a model with clustered Ca2+ release channels

NASA Astrophysics Data System (ADS)

Shuai, J. W.; Jung, P.

2003-03-01

A two-dimensional model is proposed for intracellular Ca2+ waves, which incorporates both the discrete nature of Ca2+ release sites in the endoplasmic reticulum membrane and the stochastic dynamics of the clustered inositol 1,4,5-triphosphate (IP3) receptors. Depending on the Ca2+ diffusion coefficient and concentration of IP3, various spontaneous Ca2+ patterns, such as calcium puffs, local waves, abortive waves, global oscillation, and tide waves, can be observed. We further investigate the speed of the global waves as a function of the IP3 concentration and the Ca2+ diffusion coefficient and under what conditions the spatially averaged Ca2+ response can be described by a simple set of ordinary differential equations.

Electrocatalytic mechanism of reversible hydrogen cycling by enzymes and distinctions between the major classes of hydrogenases

PubMed Central

Hexter, Suzannah V.; Grey, Felix; Happe, Thomas; Climent, Victor; Armstrong, Fraser A.

2012-01-01

The extraordinary ability of Fe- and Ni-containing enzymes to catalyze rapid and efficient H+/H2 interconversion—a property otherwise exclusive to platinum metals—has been investigated in a series of experiments combining variable-temperature protein film voltammetry with mathematical modeling. The results highlight important differences between the catalytic performance of [FeFe]-hydrogenases and [NiFe]-hydrogenases and justify a simple model for reversible catalytic electron flow in enzymes and electrocatalysts that should be widely applicable in fields as diverse as electrochemistry, catalysis, and bioenergetics. The active site of [FeFe]-hydrogenases, an intricate Fe-carbonyl complex known as the “H cluster,” emerges as a supreme catalyst. PMID:22802675

Preliminary skyshine calculations for the Poloidal Diverter Tokamak Experiment

NASA Astrophysics Data System (ADS)

Nigg, D. W.; Wheeler, F. J.

1981-01-01

A calculational model is presented to estimate the radiation dose, due to the skyshine effect, in the control room and at the site boundary of the Poloidal Diverter Experiment (PDX) facility at Princeton University which requires substantial radiation shielding. The required composition and thickness of a water-filled roof shield that would reduce this effect to an acceptable level is computed, using an efficient one-dimensional model with an Sn calculation in slab geometry. The actual neutron skyshine dose is computed using a Monte Carlo model with the neutron source at the roof surface obtained from the slab Sn calculation, and the capture gamma dose is computed using a simple point-kernel single-scatter method. It is maintained that the slab model provides the exact probability of leakage out the top surface of the roof and that it is nearly as accurate as and much less costly than multi-dimensional techniques.

Preliminary skyshine calculations for the Poloidal Diverter Tokamak Experiment

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

Nigg, D.W.; Wheeler, F.J.

1981-01-01

A calculational model is presented to estimate the radiation dose, due to the skyshine effect, in the control room and at the site boundary of the Poloidal Diverter Experiment (PDX) facility at Princeton University which requires substantial radiation shielding. The required composition and thickness of a water-filled roof shield that would reduce this effect to an acceptable level is computed, using an efficient one-dimensional model with an Sn calculation in slab geometry. The actual neutron skyshine dose is computed using a Monte Carlo model with the neutron source at the roof surface obtained from the slab Sn calculation, and themore » capture gamma dose is computed using a simple point-kernel single-scatter method. It is maintained that the slab model provides the exact probability of leakage out the top surface of the roof and that it is nearly as accurate as and much less costly than multi-dimensional techniques.« less

Broken Replica Symmetry Bounds in the Mean Field Spin Glass Model

NASA Astrophysics Data System (ADS)

Guerra, Francesco

By using a simple interpolation argument, in previous work we have proven the existence of the thermodynamic limit, for mean field disordered models, including the Sherrington-Kirkpatrick model, and the Derrida p-spin model. Here we extend this argument in order to compare the limiting free energy with the expression given by the Parisi Ansatz, and including full spontaneous replica symmetry breaking. Our main result is that the quenched average of the free energy is bounded from below by the value given in the Parisi Ansatz, uniformly in the size of the system. Moreover, the difference between the two expressions is given in the form of a sum rule, extending our previous work on the comparison between the true free energy and its replica symmetric Sherrington-Kirkpatrick approximation. We give also a variational bound for the infinite volume limit of the ground state energy per site.

[Study on the quantitative estimation method for VOCs emission from petrochemical storage tanks based on tanks 4.0.9d model].

PubMed

Li, Jing; Wang, Min-Yan; Zhang, Jian; He, Wan-Qing; Nie, Lei; Shao, Xia

2013-12-01

VOCs emission from petrochemical storage tanks is one of the important emission sources in the petrochemical industry. In order to find out the VOCs emission amount of petrochemical storage tanks, Tanks 4.0.9d model is utilized to calculate the VOCs emission from different kinds of storage tanks. VOCs emissions from a horizontal tank, a vertical fixed roof tank, an internal floating roof tank and an external floating roof tank were calculated as an example. The consideration of the site meteorological information, the sealing information, the tank content information and unit conversion by using Tanks 4.0.9d model in China was also discussed. Tanks 4.0.9d model can be used to estimate VOCs emissions from petrochemical storage tanks in China as a simple and highly accurate method.

12 CFR 717.25 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2011 CFR

2011-01-01

... an Internet Web site, if the consumer agrees to the electronic delivery of information; (iv) Providing a toll-free telephone number that consumers may call to opt out; or (v) Allowing consumers to... single toll-free telephone number. (2) Opt-out methods that are not reasonable and simple. Reasonable and...

12 CFR 717.25 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2012 CFR

2012-01-01

... an Internet Web site, if the consumer agrees to the electronic delivery of information; (iv) Providing a toll-free telephone number that consumers may call to opt out; or (v) Allowing consumers to... single toll-free telephone number. (2) Opt-out methods that are not reasonable and simple. Reasonable and...

12 CFR 717.25 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2013 CFR

2013-01-01

... an Internet Web site, if the consumer agrees to the electronic delivery of information; (iv) Providing a toll-free telephone number that consumers may call to opt out; or (v) Allowing consumers to... single toll-free telephone number. (2) Opt-out methods that are not reasonable and simple. Reasonable and...

12 CFR 717.25 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2014 CFR

2014-01-01

... an Internet Web site, if the consumer agrees to the electronic delivery of information; (iv) Providing a toll-free telephone number that consumers may call to opt out; or (v) Allowing consumers to... single toll-free telephone number. (2) Opt-out methods that are not reasonable and simple. Reasonable and...

12 CFR 717.25 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2010 CFR

2010-01-01

... an Internet Web site, if the consumer agrees to the electronic delivery of information; (iv) Providing a toll-free telephone number that consumers may call to opt out; or (v) Allowing consumers to... single toll-free telephone number. (2) Opt-out methods that are not reasonable and simple. Reasonable and...

17 CFR 162.7 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 17 Commodity and Securities Exchanges 1 2013-04-01 2013-04-01 false Reasonable and simple methods of opting out. 162.7 Section 162.7 Commodity and Securities Exchanges COMMODITY FUTURES TRADING... electronically mailed or processed through an Internet Web site; (4) Providing a toll-free telephone number; or...

17 CFR 162.7 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 17 Commodity and Securities Exchanges 1 2012-04-01 2012-04-01 false Reasonable and simple methods of opting out. 162.7 Section 162.7 Commodity and Securities Exchanges COMMODITY FUTURES TRADING... electronically mailed or processed through an Internet Web site; (4) Providing a toll-free telephone number; or...

17 CFR 162.7 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 17 Commodity and Securities Exchanges 2 2014-04-01 2014-04-01 false Reasonable and simple methods of opting out. 162.7 Section 162.7 Commodity and Securities Exchanges COMMODITY FUTURES TRADING... electronically mailed or processed through an Internet Web site; (4) Providing a toll-free telephone number; or...

A Simple Classroom Teaching Technique to Help Students Understand Michaelis-Menten Kinetics

ERIC Educational Resources Information Center

Runge, Steven W.; Hill, Brent J. F.; Moran, William M.

2006-01-01

A new, simple classroom technique helps cell biology students understand principles of Michaelis-Menten enzyme kinetics. A student mimics the enzyme and the student's hand represents the enzyme's active site. The catalytic event is the transfer of marbles (substrate molecules) by hand from one plastic container to another. As predicted, increases…

Incorporating an enzymatic model of effects of temperature, moisture, and substrate supply on soil respiration into an ecosystem model for two forests of northeastern USA

NASA Astrophysics Data System (ADS)

Sihi, Debjani; Davidson, Eric; Chen, Min; Savage, Kathleen; Richardson, Andrew; Keenan, Trevor; Hollinger, David

2017-04-01

Soils represent the largest terrestrial carbon (C) pool, and microbial decomposition of soil organic matter (SOM) to carbon dioxide, also called heterotrophic respiration (Rh), is an important component of the global C cycle. Temperature sensitivity of Rh is often represented with a simple Q10 function in ecosystem models and earth system models (ESMs), sometimes accompanied by an empirical soil moisture modifier. More explicit representation of the effects of soil moisture, substrate supply, and their interactions with temperature has been proposed to disentangle the confounding factors of apparent temperature sensitivity of SOM decomposition and improve performance of ecosystem models and ESMs. The objective of this work was to incorporate into an ecosystem model a more mechanistic, but still parsimonious, model of environmental factors controlling Rh. The Dual Arrhenius and Michaelis-Menten (DAMM) model simulates Rh using Michaelis-Menten, Arrhenius, and diffusion functions. Soil moisture affects Rh and its apparent temperature sensitivity in DAMM by regulating the diffusion of oxygen and soluble carbon substrates to the enzymatic reaction site. However, in its current configuration, DAMM depends on assumptions or inputs from other models regarding soil C inputs. Here we merged the DAMM soil flux model with a parsimonious ecosystem flux model, FöBAAR (Forest Biomass, Assimilation, Allocation and Respiration) by replacing FöBAAR's algorithms for Rh with those of DAMM. Classical root trenching experiments provided data to partition soil CO2 efflux into Rh (trenched plot) and root respiration (untrenched minus trenched plots). We used three years of high-frequency soil flux data from automated soil chambers (trenched and untrenched plots) and landscape-scale ecosystem fluxes from eddy covariance towers from two mid-latitude forests (Harvard Forest, MA and Howland Forest, ME) of northeastern USA to develop and validate the merged model and to quantify the uncertainties in a multiple constraints approach. The optimized DAMM-FöBAAR model better captured the seasonal dynamics of Rh compared to the FöBAAR-only model for the Harvard Forest, as indicated by lower cost functions (model-data mismatch). However, DAMM-FöBAAR showed less improvement over FöBAAR-only for the boreal transition forest at Howland. The frequency of droughts is lower at Howland, due to a shallow water table, resulting in only brief water limitation affecting Rh in some years. At both sites, the declining trend of soil respiration during drought episodes was captured by the DAMM-FöBAAR model, but not the FöBAAR-only model, which simulates Rh using only a Q10 type function. Greater confidence in model prediction resulting from the inclusion of mechanistic simulation of moisture limitation on substrate availability, an emergent property of DAMM, depends on site conditions, climate, and the temporal scale of interest. While the DAMM functions require a few more parameters than a simple Q10 function, we have demonstrated that they can be included in an ecosystem model and reduce the cost function. Moreover, the mechanistic structure of the soil moisture effects using DAMM functions should be more generalizable than other commonly used empirical functions.

Fluctuating local field method probed for a description of small classical correlated lattices

NASA Astrophysics Data System (ADS)

Rubtsov, Alexey N.

2018-05-01

Thermal-equilibrated finite classical lattices are considered as a minimal model of the systems showing an interplay between low-energy collective fluctuations and single-site degrees of freedom. Standard local field approach, as well as classical limit of the bosonic DMFT method, do not provide a satisfactory description of Ising and Heisenberg small lattices subjected to an external polarizing field. We show that a dramatic improvement can be achieved within a simple approach, in which the local field appears to be a fluctuating quantity related to the low-energy degree(s) of freedom.

National Stormwater Calculator User's Guide - Version 1.2

EPA Science Inventory

The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US. It estimates the amount of stormwater runoff generated from a site under different development and control scenarios over a long term period of historica...

75 FR 81640 - President William Jefferson Clinton Birthplace Home National Historic Site

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-28

... Jefferson Clinton Birthplace Home National Historic Site AGENCY: National Park Service, Interior. ACTION..., Hope, Arkansas 71801, as the ``President William Jefferson Clinton Birthplace Home National Historic... Birthplace Foundation, Inc., fee simple, unencumbered title to the William Jefferson Clinton Birthplace Home...

Comparison of rigorous and simple vibrational models for the CO2 gasdynamic laser

NASA Technical Reports Server (NTRS)

Monson, D. J.

1977-01-01

The accuracy of a simple vibrational model for computing the gain in a CO2 gasdynamic laser is assessed by comparing results computed from it with results computed from a rigorous vibrational model. The simple model is that of Anderson et al. (1971), in which the vibrational kinetics are modeled by grouping the nonequilibrium vibrational degrees of freedom into two modes, to each of which there corresponds an equation describing vibrational relaxation. The two models agree fairly well in the computed gain at low temperatures, but the simple model predicts too high a gain at the higher temperatures of current interest. The sources of error contributing to the overestimation given by the simple model are determined by examining the simplified relaxation equations.

Renormalization of spin excitations in hexagonal HoMnO3 by magnon-phonon coupling

NASA Astrophysics Data System (ADS)

Kim, Taehun; Leiner, Jonathan C.; Park, Kisoo; Oh, Joosung; Sim, Hasung; Iida, Kazuki; Kamazawa, Kazuya; Park, Je-Geun

2018-05-01

Hexagonal HoMnO3, a two-dimensional Heisenberg antiferromagnet, has been studied via inelastic neutron scattering. A simple Heisenberg model with a single-ion anisotropy describes most features of the spin-wave dispersion curves. However, there is shown to be a renormalization of the magnon energies located at around 11 meV. Since both the magnon-magnon interaction and magnon-phonon coupling can affect the renormalization in a noncollinear magnet, we have accounted for both of these couplings by using a Heisenberg XXZ model with 1 /S expansions [1] and the Einstein site phonon model [13], respectively. This quantitative analysis leads to the conclusion that the renormalization effect primarily originates from the magnon-phonon coupling, while the spontaneous magnon decay due to the magnon-magnon interaction is suppressed by strong two-ion anisotropy.

Modelling metaldehyde in catchments: a River Thames case-study.

PubMed

Lu, Q; Whitehead, P G; Bussi, G; Futter, M N; Nizzetto, L

2017-04-19

The application of metaldehyde to agricultural catchment areas to control slugs and snails has caused severe problems for drinking water supply in recent years. In the River Thames catchment, metaldehyde has been detected at levels well above the EU and UK drinking water standards of 0.1 μg l -1 at many sites across the catchment between 2008 and 2015. Metaldehyde is applied in autumn and winter, leading to its increased concentrations in surface waters. It is shown that a process-based hydro-biogeochemical transport model (INCA-contaminants) can be used to simulate metaldehyde transport in catchments from areas of application to the aquatic environment. Simulations indicate that high concentrations in the river system are a direct consequence of excessive application rates. A simple application control strategy for metaldehyde in the Thames catchment based on model results is presented.

Diversity of charge orderings in correlated systems

NASA Astrophysics Data System (ADS)

Kapcia, Konrad Jerzy; Barański, Jan; Ptok, Andrzej

2017-10-01

The phenomenon associated with inhomogeneous distribution of electron density is known as a charge ordering. In this work, we study the zero-bandwidth limit of the extended Hubbard model, which can be considered as a simple effective model of charge ordered insulators. It consists of the on-site interaction U and the intersite density-density interactions W1 and W2 between nearest neighbors and next-nearest neighbors, respectively. We derived the exact ground state diagrams for different lattice dimensionalities and discuss effects of small finite temperatures in the limit of high dimensions. In particular, we estimated the critical interactions for which new ordered phases emerge (laminar or stripe and four-sublattice-type). Our analysis show that the ground state of the model is highly degenerated. One of the most intriguing finding is that the nonzero temperature removes these degenerations.

Predicting Light-Duty Vehicle Fuel Economy as a Function of Highway Speed

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

Thomas, John; Hwang, Ho-Ling; West, Brian

2013-04-08

The www.fueleconomy.gov website offers information such as window label fuel economy for city, highway, and combined driving for all U.S.-legal light-duty vehicles from 1984 to the present. The site is jointly maintained by the U.S. Department of Energy and the U.S. Environmental Protection Agency (EPA), and also offers a considerable amount of consumer information and advice pertaining to vehicle fuel economy and energy related issues. Included with advice pertaining to driving styles and habits is information concerning the trend that as highway cruising speed is increased, fuel economy will degrade. An effort was undertaken to quantify this conventional wisdom throughmore » analysis of dynamometer testing results for 74 vehicles at steady state speeds from 50 to 80 mph. Using this experimental data, several simple models were developed to predict individual vehicle fuel economy and its rate of change over the 50-80 mph speed range interval. The models presented require a minimal number of vehicle attributes. The simplest model requires only the EPA window label highway mpg value (based on the EPA specified estimation method for 2008 and beyond). The most complex of these simple model uses vehicle coast-down test coefficients (from testing prescribed by SAE Standard J2263) known as the vehicle Target Coefficients, and the raw fuel economy result from the federal highway test. Statistical comparisons of these models and discussions of their expected usefulness and limitations are offered.« less

A molecular map of CQR in Mali

PubMed Central

Djimde, Abdoulaye A.; Barger, Breanna; Kone, Aminatou; Beavogui, Abdoul H.; Tekete, Mamadou; Fofana, Bakary; Dara, Antoine; Maiga, Hamma; Dembele, Demba; Toure, Sekou; Dama, Souleymane; Ouologuem, Dinkorma; Sangare, Cheick Papa Oumar; Dolo, Amagana; Sogoba, Nofomo; Nimaga, Karamoko; Kone, Yacouba; Doumbo, Ogobara K.

2009-01-01

Plasmodium falciparum CQR transporter point mutation (PfCRT76T) is known to be the key determinant of CQR. Molecular detection of PfCRT76T in field samples may be used for the surveillance of CQR in the malaria endemic countries. The genotype-resistance index (GRI) which is obtained as the ratio of the prevalence of PfCRT 76T to the incidence of CQR in a clinical trial was proposed as a simple andpractical molecular-based addition to the tools currently available for monitoring CQR in the field. In order to validate the GRI model across populations, time, and resistance patterns, we compiled data from the literature and generated new data from a dozen of sites across Mali. We found a mean PfCRT76T mutation prevalence of 84.5% (range 60.9%–95.1%) across all sites. CQR rates predicted from the GRI model was extrapolated onto a map of Mali to show the patterns of resistance throughout the participating regions. We present a comprehensive map of CQR in Mali, which strongly supports recent changes in drug policy away from chloroquine. PMID:20041947

A molecular topology approach to predicting pesticide pollution of groundwater

USGS Publications Warehouse

Worrall , Fred

2001-01-01

Various models have proposed methods for the discrimination of polluting and nonpolluting compounds on the basis of simple parameters, typically adsorption and degradation constants. However, such attempts are prone to site variability and measurement error to the extent that compounds cannot be reliably classified nor the chemistry of pollution extrapolated from them. Using observations of pesticide occurrence in U.S. groundwater it is possible to show that polluting from nonpolluting compounds can be distinguished purely on the basis of molecular topology. Topological parameters can be derived without measurement error or site-specific variability. A logistic regression model has been developed which explains 97% of the variation in the data, with 86% of the variation being explained by the rule that a compound will be found in groundwater if 6 < 0.55. Where 6χp is the sixth-order molecular path connectivity. One group of compounds cannot be classified by this rule and prediction requires reference to higher order connectivity parameters. The use of molecular approaches for understanding pollution at the molecular level and their application to agrochemical development and risk assessment is discussed.

A molecular map of chloroquine resistance in Mali.

PubMed

Djimde, Abdoulaye A; Barger, Breanna; Kone, Aminatou; Beavogui, Abdoul H; Tekete, Mamadou; Fofana, Bakary; Dara, Antoine; Maiga, Hamma; Dembele, Demba; Toure, Sekou; Dama, Souleymane; Ouologuem, Dinkorma; Sangare, Cheick Papa Oumar; Dolo, Amagana; Sogoba, Nofomo; Nimaga, Karamoko; Kone, Yacouba; Doumbo, Ogobara K

2010-02-01

Plasmodium falciparum chloroquine resistance (CQR) transporter point mutation (PfCRT 76T) is known to be the key determinant of CQR. Molecular detection of PfCRT 76T in field samples may be used for the surveillance of CQR in malaria-endemic countries. The genotype-resistance index (GRI), which is obtained as the ratio of the prevalence of PfCRT 76T to the incidence of CQR in a clinical trial, was proposed as a simple and practical molecular-based addition to the tools currently available for monitoring CQR in the field. In order to validate the GRI model across populations, time, and resistance patterns, we compiled data from the literature and generated new data from 12 sites across Mali. We found a mean PfCRT 76T mutation prevalence of 84.5% (range 60.9-95.1%) across all sites. CQR rates predicted from the GRI model were extrapolated onto a map of Mali to show the patterns of resistance throughout the participating regions. We present a comprehensive map of CQR in Mali, which strongly supports recent changes in drug policy away from chloroquine.

Markov chain aggregation and its applications to combinatorial reaction networks.

PubMed

Ganguly, Arnab; Petrov, Tatjana; Koeppl, Heinz

2014-09-01

We consider a continuous-time Markov chain (CTMC) whose state space is partitioned into aggregates, and each aggregate is assigned a probability measure. A sufficient condition for defining a CTMC over the aggregates is presented as a variant of weak lumpability, which also characterizes that the measure over the original process can be recovered from that of the aggregated one. We show how the applicability of de-aggregation depends on the initial distribution. The application section is devoted to illustrate how the developed theory aids in reducing CTMC models of biochemical systems particularly in connection to protein-protein interactions. We assume that the model is written by a biologist in form of site-graph-rewrite rules. Site-graph-rewrite rules compactly express that, often, only a local context of a protein (instead of a full molecular species) needs to be in a certain configuration in order to trigger a reaction event. This observation leads to suitable aggregate Markov chains with smaller state spaces, thereby providing sufficient reduction in computational complexity. This is further exemplified in two case studies: simple unbounded polymerization and early EGFR/insulin crosstalk.

Influence of ground surface characteristics on the mean radiant temperature in urban areas.

PubMed

Lindberg, Fredrik; Onomura, Shiho; Grimmond, C S B

2016-09-01

The effect of variations in land cover on mean radiant temperature (T mrt ) is explored through a simple scheme developed within the radiation model SOLWEIG. Outgoing longwave radiation is parameterised using surface temperature observations on a grass and an asphalt surface, whereas outgoing shortwave radiation is modelled through variations in albedo for the different surfaces. The influence of ground surface materials on T mrt is small compared to the effects of shadowing. Nevertheless, altering ground surface materials could contribute to a reduction in T mrt to reduce the radiant load during heat-wave episodes in locations where shadowing is not an option. Evaluation of the new scheme suggests that despite its simplicity it can simulate the outgoing fluxes well, especially during sunny conditions. However, it underestimates at night and in shadowed locations. One grass surface used to develop the parameterisation, with very different characteristics compared to an evaluation grass site, caused T mrt to be underestimated. The implications of using high temporal resolution (e.g. 15 minutes) meteorological forcing data under partly cloudy conditions are demonstrated even for fairly proximal sites.

Development of a New Data Tool for Computing Launch and Landing Availability with Respect to Surface Weather

NASA Technical Reports Server (NTRS)

Burns, K. Lee; Altino, Karen

2008-01-01

The Marshall Space Flight Center Natural Environments Branch has a long history of expertise in the modeling and computation of statistical launch availabilities with respect to weather conditions. Their existing data analysis product, the Atmospheric Parametric Risk Assessment (APRA) tool, computes launch availability given an input set of vehicle hardware and/or operational weather constraints by calculating the climatological probability of exceeding the specified constraint limits, APRA has been used extensively to provide the Space Shuttle program the ability to estimate impacts that various proposed design modifications would have to overall launch availability. The model accounts for both seasonal and diurnal variability at a single geographic location and provides output probabilities for a single arbitrary launch attempt. Recently, the Shuttle program has shown interest in having additional capabilities added to the APRA model, including analysis of humidity parameters, inclusion of landing site weather to produce landing availability, and concurrent analysis of multiple sites, to assist in operational landing site selection. In addition, the Constellation program has also expressed interest in the APRA tool, and has requested several additional capabilities to address some Constellation-specific issues, both in the specification and verification of design requirements and in the development of operations concepts. The combined scope of the requested capability enhancements suggests an evolution of the model beyond a simple revision process. Development has begun for a new data analysis tool that will satisfy the requests of both programs. This new tool, Probabilities of Atmospheric Conditions and Environmental Risk (PACER), will provide greater flexibility and significantly enhanced functionality compared to the currently existing tool.

Catchment controls on water temperature and the development of simple metrics to inform riparian zone management

NASA Astrophysics Data System (ADS)

Johnson, Matthew; Wilby, Robert

2015-04-01

Water temperature is a key water quality parameter and is critical to aquatic life Therefore, rising temperatures due to climate and environmental change will have major consequences for river biota. As such, it is important to understand the environmental controls of the thermal regime of rivers. The Loughborough University TEmperature Network (LUTEN) consists of a distributed network of 25 sites along 40 km of two rivers in the English Peak District, from their source to confluence. As a result, the network covers a range of hydrological, sedimentary, geomorphic and land-use conditions. At each site, air and water temperature have been recorded at a 15-minute resolution for over 4 years. Water temperature is spatially patchy and temporally variable in the monitored rivers. For example, the annual temperature range at Beresford Dale is over 18° C, whereas 8 km downstream it is less than 8° C. This heterogeneity leads to some sites being more vulnerable to future warming than others. The sensitivity of sites to climate was quantified by comparing the parameters of logistic regression models, constructed at each site, that relate water temperature to air temperature. These analyses, coupled with catchment modelling suggest that reaches that are surface-water dominated with minimal shade and relatively low water volumes are most susceptible to warming. Such reaches tended to occur at intermediate distances from rivers source in the monitored catchments. Reaches that were groundwater dominated had relatively stable thermal regimes, which were relatively unaffected by inter-annual changes in climatic conditions. Such areas could provide important thermal refuge to many organisms, which is supported by monitoring of the invertebrate community in the catchment. The phenology (i.e. timing of life events) of some species remained consistent between years in a river reach with a stable thermal regime, but changed markedly in other areas of the river. Consequently, areas of thermal refuge could be important in the context of future climate change, potentially maintaining populations of animals excluded from other parts of the river during hot summer months. International management strategies to mitigate rising temperatures tend to focus on the protection, enhancement or creation of riparian shade. Simple metrics derived from catchment landscape models, the heat capacity of water, and modelled solar radiation receipt, suggest that approximately 1 km of deep riparian shading is necessary to offset a 1° C rise in temperature in the monitored catchments. A similar value is likely to be obtained for similar sized rivers at similar latitudes. Trees would take 20 years to attain sufficient height to shade the necessary solar angles. However, 1 km of deep riparian shade will have substantial impacts on the hydrological and geomorphological functioning of the river, beyond simply altering the thermal regime. Consequently, successful management of rising water temperature in rivers will require catchment scale consideration, as part of an integrated management plan.

Temperature regulation of bud-burst phenology within and among years in a young Douglas-fir (Pseudotsuga menziesii) plantation in western Washington, USA.

PubMed

Bailey, John D; Harrington, Constance A

2006-04-01

Past research has established that terminal buds of Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco) seedlings from many seed sources have a chilling requirement of about 1200 h at 0-5 degrees C; once chilled, temperatures > 5 degrees C force bud burst via accumulation of heat units. We tested this sequential bud-burst model in the field to determine whether terminal buds of trees in cooler microsites, which receive less heat forcing, develop more slowly than those in warmer microsites. For three years we monitored terminal bud development in young saplings as well as soil and air temperatures on large, replicated plots in a harvest unit; plots differed in microclimate based on amount of harvest residue and shade from neighboring stands. In two of three years, trees on cooler microsites broke bud 2 to 4 days earlier than those on warmer microsites, despite receiving less heat forcing from March to May each year. A simple sequential model did not predict cooler sites having earlier bud burst nor did it correctly predict the order of bud burst across the three years. We modified the basic heat-forcing model to initialize, or reset to zero, the accumulation of heat units whenever significant freezing temperature events (> or = 3 degree-hours day(-1) < 0 degrees C) occurred; this modified model correctly predicted the sequence of bud burst across years. Soil temperature alone or in combination with air temperature did not improve our predictions of bud burst. Past models of bud burst have relied heavily on data from controlled experiments with simple temperature patterns; analysis of more variable temperature patterns from our 3-year field trial, however, indicated that simple models of bud burst are inaccurate. More complex models that incorporate chilling hours, heat forcing, photoperiod and the occurrence of freeze events in the spring may be needed to predict effects of future silvicultural treatments as well to interpret the implications of climate-change scenarios. Developing and testing new models will require data from both field and controlled-environment experiments.

NATIONAL STORMWATER CALCULATOR USER'S GUIDE ...

EPA Pesticide Factsheets

The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US. It estimates the amount of stormwater runoff generated from a site under different development and control scenarios over a long term period of historical rainfall. The analysis takes into account local soil conditions, slope, land cover and meteorology. Different types of low impact development (LID) practices (also known as green infrastructure) can be employed to help capture and retain rainfall on-site. Future climate change scenarios taken from internationally recognized climate change projections can also be considered. The calculator provides planning level estimates of capital and maintenance costs which will allow planners and managers to evaluate and compare effectiveness and costs of LID controls.The calculator’s primary focus is informing site developers and property owners on how well they can meet a desired stormwater retention target. It can be used to answer such questions as:• What is the largest daily rainfall amount that can be captured by a site in either its pre-development, current, or post-development condition?• To what degree will storms of different magnitudes be captured on site?• What mix of LID controls can be deployed to meet a given stormwater retention target?• How well will LID controls perform under future meteorological projections made by global climate change models?• What are the relativ

High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3

PubMed Central

Wang, Y. L.; Liu, M. F.; Liu, R.; Xie, Y. L.; Li, X.; Yan, Z. B.; Liu, J.-M.

2016-01-01

It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder. PMID:27297396

Derivation and Evaluation of a Risk-Scoring Tool to Predict Participant Attrition in a Lifestyle Intervention Project.

PubMed

Jiang, Luohua; Yang, Jing; Huang, Haixiao; Johnson, Ann; Dill, Edward J; Beals, Janette; Manson, Spero M; Roubideaux, Yvette

2016-05-01

Participant attrition in clinical trials and community-based interventions is a serious, common, and costly problem. In order to develop a simple predictive scoring system that can quantify the risk of participant attrition in a lifestyle intervention project, we analyzed data from the Special Diabetes Program for Indians Diabetes Prevention Program (SDPI-DP), an evidence-based lifestyle intervention to prevent diabetes in 36 American Indian and Alaska Native communities. SDPI-DP participants were randomly divided into a derivation cohort (n = 1600) and a validation cohort (n = 801). Logistic regressions were used to develop a scoring system from the derivation cohort. The discriminatory power and calibration properties of the system were assessed using the validation cohort. Seven independent factors predicted program attrition: gender, age, household income, comorbidity, chronic pain, site's user population size, and average age of site staff. Six factors predicted long-term attrition: gender, age, marital status, chronic pain, site's user population size, and average age of site staff. Each model exhibited moderate to fair discriminatory power (C statistic in the validation set: 0.70 for program attrition, and 0.66 for long-term attrition) and excellent calibration. The resulting scoring system offers a low-technology approach to identify participants at elevated risk for attrition in future similar behavioral modification intervention projects, which may inform appropriate allocation of retention resources. This approach also serves as a model for other efforts to prevent participant attrition.

Neurons in cat V1 show significant clustering by degree of tuning

PubMed Central

Ziskind, Avi J.; Emondi, Al A.; Kurgansky, Andrei V.; Rebrik, Sergei P.

2015-01-01

Neighboring neurons in cat primary visual cortex (V1) have similar preferred orientation, direction, and spatial frequency. How diverse is their degree of tuning for these properties? To address this, we used single-tetrode recordings to simultaneously isolate multiple cells at single recording sites and record their responses to flashed and drifting gratings of multiple orientations, spatial frequencies, and, for drifting gratings, directions. Orientation tuning width, spatial frequency tuning width, and direction selectivity index (DSI) all showed significant clustering: pairs of neurons recorded at a single site were significantly more similar in each of these properties than pairs of neurons from different recording sites. The strength of the clustering was generally modest. The percent decrease in the median difference between pairs from the same site, relative to pairs from different sites, was as follows: for different measures of orientation tuning width, 29–35% (drifting gratings) or 15–25% (flashed gratings); for DSI, 24%; and for spatial frequency tuning width measured in octaves, 8% (drifting gratings). The clusterings of all of these measures were much weaker than for preferred orientation (68% decrease) but comparable to that seen for preferred spatial frequency in response to drifting gratings (26%). For the above properties, little difference in clustering was seen between simple and complex cells. In studies of spatial frequency tuning to flashed gratings, strong clustering was seen among simple-cell pairs for tuning width (70% decrease) and preferred frequency (71% decrease), whereas no clustering was seen for simple-complex or complex-complex cell pairs. PMID:25652921

Random Evolution of Idiotypic Networks: Dynamics and Architecture

NASA Astrophysics Data System (ADS)

Brede, Markus; Behn, Ulrich

The paper deals with modelling a subsystem of the immune system, the so-called idiotypic network (INW). INWs, conceived by N.K. Jerne in 1974, are functional networks of interacting antibodies and B cells. In principle, Jernes' framework provides solutions to many issues in immunology, such as immunological memory, mechanisms for antigen recognition and self/non-self discrimination. Explaining the interconnection between the elementary components, local dynamics, network formation and architecture, and possible modes of global system function appears to be an ideal playground of statistical mechanics. We present a simple cellular automaton model, based on a graph representation of the system. From a simplified description of idiotypic interactions, rules for the random evolution of networks of occupied and empty sites on these graphs are derived. In certain biologically relevant parameter ranges the resultant dynamics leads to stationary states. A stationary state is found to correspond to a specific pattern of network organization. It turns out that even these very simple rules give rise to a multitude of different kinds of patterns. We characterize these networks by classifying `static' and `dynamic' network-patterns. A type of `dynamic' network is found to display many features of real INWs.

Modelling parallel programs and multiprocessor architectures with AXE

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Fineman, Charles E.

1991-01-01

AXE, An Experimental Environment for Parallel Systems, was designed to model and simulate for parallel systems at the process level. It provides an integrated environment for specifying computation models, multiprocessor architectures, data collection, and performance visualization. AXE is being used at NASA-Ames for developing resource management strategies, parallel problem formulation, multiprocessor architectures, and operating system issues related to the High Performance Computing and Communications Program. AXE's simple, structured user-interface enables the user to model parallel programs and machines precisely and efficiently. Its quick turn-around time keeps the user interested and productive. AXE models multicomputers. The user may easily modify various architectural parameters including the number of sites, connection topologies, and overhead for operating system activities. Parallel computations in AXE are represented as collections of autonomous computing objects known as players. Their use and behavior is described. Performance data of the multiprocessor model can be observed on a color screen. These include CPU and message routing bottlenecks, and the dynamic status of the software.

Self-assembly kinetics of microscale components: A parametric evaluation

NASA Astrophysics Data System (ADS)

Carballo, Jose M.

The goal of the present work is to develop, and evaluate a parametric model of a basic microscale Self-Assembly (SA) interaction that provides scaling predictions of process rates as a function of key process variables. At the microscale, assembly by "grasp and release" is generally challenging. Recent research efforts have proposed adapting nanoscale self-assembly (SA) processes to the microscale. SA offers the potential for reduced equipment cost and increased throughput by harnessing attractive forces (most commonly, capillary) to spontaneously assemble components. However, there are challenges for implementing microscale SA as a commercial process. The existing lack of design tools prevents simple process optimization. Previous efforts have characterized a specific aspect of the SA process. However, the existing microscale SA models do not characterize the inter-component interactions. All existing models have simplified the outcome of SA interactions as an experimentally-derived value specific to a particular configuration, instead of evaluating it outcome as a function of component level parameters (such as speed, geometry, bonding energy and direction). The present study parameterizes the outcome of interactions, and evaluates the effect of key parameters. The present work closes the gap between existing microscale SA models to add a key piece towards a complete design tool for general microscale SA process modeling. First, this work proposes a simple model for defining the probability of assembly of basic SA interactions. A basic SA interaction is defined as the event where a single part arrives on an assembly site. The model describes the probability of assembly as a function of kinetic energy, binding energy, orientation and incidence angle for the component and the assembly site. Secondly, an experimental SA system was designed, and implemented to create individual SA interactions while controlling process parameters independently. SA experiments measured the outcome of SA interactions, while studying the independent effects of each parameter. As a first step towards a complete scaling model, experiments were performed to evaluate the effects of part geometry and part travel direction under low kinetic energy conditions. Experimental results show minimal dependence of assembly yield on the incidence angle of the parts, and significant effects induced by changes in part geometry. The results from this work indicate that SA could be modeled as an energy-based process due to the small path dependence effects. Assembly probability is linearly related to the orientation probability. The proportionality constant is based on the area fraction of the sites with an amplification factor. This amplification factor accounts for the ability of capillary forces to align parts with only very small areas of contact when they have a low kinetic energy. Results provide unprecedented insight about SA interactions. The present study is a key step towards completing a basic model of a general SA process. Moreover, the outcome from this work can complement existing SA process models, in order to create a complete design tool for microscale SA systems. In addition to SA experiments, Monte Carlo simulations of experimental part-site interactions were conducted. This study confirmed that a major contributor to experimental variation is the stochastic nature of experimental SA interactions and the limited sample size of the experiments. Furthermore, the simulations serve as a tool for defining an optimum sampling strategy to minimize the uncertainty in future SA experiments.

As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy

PubMed Central

Rottler, Jörg; Plotkin, Steven S.

2016-01-01

Mechanical unfolding of a single domain of loop-truncated superoxide dismutase protein has been simulated via force spectroscopy techniques with both all-atom (AA) models and several coarse-grained models having different levels of resolution: A Gō model containing all heavy atoms in the protein (HA-Gō), the associative memory, water mediated, structure and energy model (AWSEM) which has 3 interaction sites per amino acid, and a Gō model containing only one interaction site per amino acid at the Cα position (Cα-Gō). To systematically compare results across models, the scales of time, energy, and force had to be suitably renormalized in each model. Surprisingly, the HA-Gō model gives the softest protein, exhibiting much smaller force peaks than all other models after the above renormalization. Clustering to render a structural taxonomy as the protein unfolds showed that the AA, HA-Gō, and Cα-Gō models exhibit a single pathway for early unfolding, which eventually bifurcates repeatedly to multiple branches only after the protein is about half-unfolded. The AWSEM model shows a single dominant unfolding pathway over the whole range of unfolding, in contrast to all other models. TM alignment, clustering analysis, and native contact maps show that the AWSEM pathway has however the most structural similarity to the AA model at high nativeness, but the least structural similarity to the AA model at low nativeness. In comparison to the AA model, the sequence of native contact breakage is best predicted by the HA-Gō model. All models consistently predict a similar unfolding mechanism for early force-induced unfolding events, but diverge in their predictions for late stage unfolding events when the protein is more significantly disordered. PMID:27898663

As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy.

PubMed

Habibi, Mona; Rottler, Jörg; Plotkin, Steven S

2016-11-01

Mechanical unfolding of a single domain of loop-truncated superoxide dismutase protein has been simulated via force spectroscopy techniques with both all-atom (AA) models and several coarse-grained models having different levels of resolution: A Gō model containing all heavy atoms in the protein (HA-Gō), the associative memory, water mediated, structure and energy model (AWSEM) which has 3 interaction sites per amino acid, and a Gō model containing only one interaction site per amino acid at the Cα position (Cα-Gō). To systematically compare results across models, the scales of time, energy, and force had to be suitably renormalized in each model. Surprisingly, the HA-Gō model gives the softest protein, exhibiting much smaller force peaks than all other models after the above renormalization. Clustering to render a structural taxonomy as the protein unfolds showed that the AA, HA-Gō, and Cα-Gō models exhibit a single pathway for early unfolding, which eventually bifurcates repeatedly to multiple branches only after the protein is about half-unfolded. The AWSEM model shows a single dominant unfolding pathway over the whole range of unfolding, in contrast to all other models. TM alignment, clustering analysis, and native contact maps show that the AWSEM pathway has however the most structural similarity to the AA model at high nativeness, but the least structural similarity to the AA model at low nativeness. In comparison to the AA model, the sequence of native contact breakage is best predicted by the HA-Gō model. All models consistently predict a similar unfolding mechanism for early force-induced unfolding events, but diverge in their predictions for late stage unfolding events when the protein is more significantly disordered.

Inferring diffusion dynamics from FCS in heterogeneous nuclear environments.

PubMed

Tsekouras, Konstantinos; Siegel, Amanda P; Day, Richard N; Pressé, Steve

2015-07-07

Fluorescence correlation spectroscopy (FCS) is a noninvasive technique that probes the diffusion dynamics of proteins down to single-molecule sensitivity in living cells. Critical mechanistic insight is often drawn from FCS experiments by fitting the resulting time-intensity correlation function, G(t), to known diffusion models. When simple models fail, the complex diffusion dynamics of proteins within heterogeneous cellular environments can be fit to anomalous diffusion models with adjustable anomalous exponents. Here, we take a different approach. We use the maximum entropy method to show-first using synthetic data-that a model for proteins diffusing while stochastically binding/unbinding to various affinity sites in living cells gives rise to a G(t) that could otherwise be equally well fit using anomalous diffusion models. We explain the mechanistic insight derived from our method. In particular, using real FCS data, we describe how the effects of cell crowding and binding to affinity sites manifest themselves in the behavior of G(t). Our focus is on the diffusive behavior of an engineered protein in 1) the heterochromatin region of the cell's nucleus as well as 2) in the cell's cytoplasm and 3) in solution. The protein consists of the basic region-leucine zipper (BZip) domain of the CCAAT/enhancer-binding protein (C/EBP) fused to fluorescent proteins. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Modeling and in situ measurements of biometeorological conditions in microenvironments within the Athens University Campus, Greece

NASA Astrophysics Data System (ADS)

Nastos, Panagiotis T.; Polychroni, Iliana D.

2016-10-01

The objective of this research is to assess and analyze the biometeorological perception in complex microenvironments in the Athens University Campus (AUC) using urban micromodels, such as RayMan. The human thermal sensation in such a place was considered of great significance due to the great gathering of student body and staff of the University. The quantification of the biometeorological conditions was succeeded by the estimation of the physiologically equivalent temperature (PET), which is a biometeorological index based on the human energy balance. We carried out, on one hand, field measurements of air temperature, relative humidity, wind speed, and global solar irradiance for different sites (building atrium, open area, and green atrium) of the examined microurban environment in order to calculate PET during January-July 2013. Additionally, on the other hand, PET modeling was performed using different sky-view factors and was compared to a reference site (meteorological station of Laboratory of Climatology and Atmospheric Environment, University of Athens). The global radiation was transferred to the examined sites with the RayMan model, which considers the sky-view factors for the adaptation of the radiation fluxes to simple and complex environments. The results of this study reveal the crucial importance of the existence of trees and green cover in a complex environment, as a factor that could be the solution to the efforts of stake holders in order to mitigate strong heat stress and improve people's living quality in urban areas.