Full-Potential Modeling of Blade-Vortex Interactions. Degree awarded by George Washington Univ., Feb. 1987

NASA Technical Reports Server (NTRS)

Jones, Henry E.

1997-01-01

A study of the full-potential modeling of a blade-vortex interaction was made. A primary goal of this study was to investigate the effectiveness of the various methods of modeling the vortex. The model problem restricts the interaction to that of an infinite wing with an infinite line vortex moving parallel to its leading edge. This problem provides a convenient testing ground for the various methods of modeling the vortex while retaining the essential physics of the full three-dimensional interaction. A full-potential algorithm specifically tailored to solve the blade-vortex interaction (BVI) was developed to solve this problem. The basic algorithm was modified to include the effect of a vortex passing near the airfoil. Four different methods of modeling the vortex were used: (1) the angle-of-attack method, (2) the lifting-surface method, (3) the branch-cut method, and (4) the split-potential method. A side-by-side comparison of the four models was conducted. These comparisons included comparing generated velocity fields, a subcritical interaction, and a critical interaction. The subcritical and critical interactions are compared with experimentally generated results. The split-potential model was used to make a survey of some of the more critical parameters which affect the BVI.

Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading.

PubMed

Do, D D; Do, H D

2004-12-07

Adsorption of ethylene and ethane on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers is studied in detail to investigate the packing efficiency, the two-dimensional critical temperature, and the variation of the isosteric heat of adsorption with loading and temperature. Here we used a Monte Carlo simulation method with a grand canonical Monte Carlo ensemble. A number of two-center Lennard-Jones (LJ) potential models are investigated to study the impact of the choice of potential models in the description of adsorption behavior. We chose two 2C-LJ potential models in our investigation of the (i) UA-TraPPE-LJ model of Martin and Siepmann for ethane and Wick et al. for ethylene and (ii) AUA4-LJ model of Ungerer et al. for ethane and Bourasseau et al. for ethylene. These models are used to study the adsorption of ethane and ethylene on graphitized thermal carbon black. It is found that the solid-fluid binary interaction parameter is a function of adsorbate and temperature, and the adsorption isotherms and heat of adsorption are well described by both the UA-TraPPE and AUA models, although the UA-TraPPE model performs slightly better. However, the local distributions predicted by these two models are slightly different. These two models are used to explore the two-dimensional condensation for the graphitized thermal carbon black, and these values are 110 K for ethylene and 120 K for ethane.

USE OF PHARMACOKINETIC MODELING FOR DIETARY EXPOSURE STUDY DESIGN AND MODEL EVALUATION

EPA Science Inventory

It has been shown that young children have potentially higher dietary pesticide intake when they handle foods while eating. Foods become contaminated with pesticides from "dirty" hands and home surfaces. A dietary intake model has been developed to estimate the potential increa...

Best practices for use of stable isotope mixing models in food-web studies

EPA Science Inventory

Stable isotope mixing models are increasingly used to quantify contributions of resources to consumers. While potentially powerful tools, these mixing models have the potential to be misused, abused, and misinterpreted. Here we draw on our collective experiences to address the qu...

Seven lessons from manyfield inflation in random potentials

NASA Astrophysics Data System (ADS)

Dias, Mafalda; Frazer, Jonathan; Marsh, M. C. David

2018-01-01

We study inflation in models with many interacting fields subject to randomly generated scalar potentials. We use methods from non-equilibrium random matrix theory to construct the potentials and an adaption of the `transport method' to evolve the two-point correlators during inflation. This construction allows, for the first time, for an explicit study of models with up to 100 interacting fields supporting a period of `approximately saddle-point' inflation. We determine the statistical predictions for observables by generating over 30,000 models with 2–100 fields supporting at least 60 efolds of inflation. These studies lead us to seven lessons: i) Manyfield inflation is not single-field inflation, ii) The larger the number of fields, the simpler and sharper the predictions, iii) Planck compatibility is not rare, but future experiments may rule out this class of models, iv) The smoother the potentials, the sharper the predictions, v) Hyperparameters can transition from stiff to sloppy, vi) Despite tachyons, isocurvature can decay, vii) Eigenvalue repulsion drives the predictions. We conclude that many of the `generic predictions' of single-field inflation can be emergent features of complex inflation models.

Simulation of Arrhythmogenic Effect of Rogue RyRs in Failing Heart by Using a Coupled Model

PubMed Central

Lu, Luyao; Xia, Ling; Zhu, Xiuwei

2012-01-01

Cardiac cells with heart failure are usually characterized by impairment of Ca2+ handling with smaller SR Ca2+ store and high risk of triggered activities. In this study, we developed a coupled model by integrating the spatiotemporal Ca2+ reaction-diffusion system into the cellular electrophysiological model. With the coupled model, the subcellular Ca2+ dynamics and global cellular electrophysiology could be simultaneously traced. The proposed coupled model was then applied to study the effects of rogue RyRs on Ca2+ cycling and membrane potential in failing heart. The simulation results suggested that, in the presence of rogue RyRs, Ca2+ dynamics is unstable and Ca2+ waves are prone to be initiated spontaneously. These release events would elevate the membrane potential substantially which might induce delayed afterdepolarizations or triggered action potentials. Moreover, the variation of membrane potential depolarization is indicated to be dependent on the distribution density of rogue RyR channels. This study provides a new possible arrhythmogenic mechanism for heart failure from subcellular to cellular level. PMID:23056145

Thermodynamical stability of FRW models with quintessence

NASA Astrophysics Data System (ADS)

Sharif, M.; Ashraf, Sara

2018-03-01

In this paper, we study the thermodynamic stability of quintessence in the background of homogeneous and isotropic universe model. For the evolutionary picture, we consider two different forms of potentials and investigate the behavior of different physical parameters. We conclude that the quintessence model expands adiabatically and this expansion is thermodynamically stable for both potentials with suitable model parameters.

Effect of Coulomb interaction on chemical potential of metal film

NASA Astrophysics Data System (ADS)

Kostrobij, P. P.; Markovych, B. M.

2018-07-01

The chemical potential of a metal film within the jellium model taking into account the Coulomb interaction between electrons is calculated. The surface potential is modelled as the infinite rectangular potential well. The behaviour of the chemical potential as a function of the film thickness is studied, the quantum size effect for this quantity is analysed. It is shown that taking into account the Coulomb interaction leads to a significant decrease of the chemical potential and to an enhancement of the quantum size effect.

Full-potential modeling of blade-vortex interactions

NASA Technical Reports Server (NTRS)

Jones, H. E.; Caradonna, F. X.

1986-01-01

A comparison is made of four different models for predicting the unsteady loading induced by a vortex passing close to an airfoil. (1) The first model approximates the vortex effect as a change in the airfoil angle of attack. (2) The second model is related to the first but, instead of imposing only a constant velocity on the airfoil, the distributed effect of the vortex is computed and used. This is analogous to a lifting surface method. (3) The third model is to specify a branch cut discontinuity in the potential field. The vortex is modeled as a jump in potential across the branch cut, the edge of which represents the center of the vortex. (4) The fourth method models the vortex expressing the potential as the sum of a known potential due to the vortex and an unknown perturbation due to the airfoil. The purpose of the current study is to investigate the four vortex models described above and to determine their relative merits and suitability for use in large three-dimensional codes.

Tissue Chips to aid drug development and modeling for rare diseases

PubMed Central

Low, Lucie A.; Tagle, Danilo A.

2016-01-01

Introduction The technologies used to design, create and use microphysiological systems (MPS, “tissue chips” or “organs-on-chips”) have progressed rapidly in the last 5 years, and validation studies of the functional relevance of these platforms to human physiology, and response to drugs for individual model organ systems, are well underway. These studies are paving the way for integrated multi-organ systems that can model diseases and predict drug efficacy and toxicology of multiple organs in real-time, improving the potential for diagnostics and development of novel treatments of rare diseases in the future. Areas covered This review will briefly summarize the current state of tissue chip research and highlight model systems where these microfabricated (or bioengineered) devices are already being used to screen therapeutics, model disease states, and provide potential treatments in addition to helping elucidate the basic molecular and cellular phenotypes of rare diseases. Expert opinion Microphysiological systems hold great promise and potential for modeling rare disorders, as well as for their potential use to enhance the predictive power of new drug therapeutics, plus potentially increase the statistical power of clinical trials while removing the inherent risks of these trials in rare disease populations. PMID:28626620

Modeling of thin film GaAs growth

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.

1982-01-01

A potential scaling Monte Carlo model of crystal growth is developed. The model is a modification of the solid-on-solid method for studying crystal growth in that potentials at surface sites are continuously updated on a time scale reflecting the surface events of migration, incorporation and evaporation. The model allows for B on A type of crystal growth and lattice disregistry by the assignment of potential values at various surface sites. The surface adatoms are periodically assigned a random energy from a Boltzmann distribution and this energy determines whether the adatoms evaporate, migrate or remain stationary during the sampling interval. For each addition or migration of an adatom, the surface potentials are adjusted to reflect the adsorption, migration or desorption potential changes.

Emergent kink statistics at finite temperature

DOE PAGES

Lopez-Ruiz, Miguel Angel; Yepez-Martinez, Tochtli; Szczepaniak, Adam; ...

2017-07-25

In this paper we use 1D quantum mechanical systems with Higgs-like interaction potential to study the emergence of topological objects at finite temperature. Two different model systems are studied, the standard double-well potential model and a newly introduced discrete kink model. Using Monte-Carlo simulations as well as analytic methods, we demonstrate how kinks become abundant at low temperatures. These results may shed useful insights on how topological phenomena may occur in QCD.

Macroscopic neural mass model constructed from a current-based network model of spiking neurons.

PubMed

Umehara, Hiroaki; Okada, Masato; Teramae, Jun-Nosuke; Naruse, Yasushi

2017-02-01

Neural mass models (NMMs) are efficient frameworks for describing macroscopic cortical dynamics including electroencephalogram and magnetoencephalogram signals. Originally, these models were formulated on an empirical basis of synaptic dynamics with relatively long time constants. By clarifying the relations between NMMs and the dynamics of microscopic structures such as neurons and synapses, we can better understand cortical and neural mechanisms from a multi-scale perspective. In a previous study, the NMMs were analytically derived by averaging the equations of synaptic dynamics over the neurons in the population and further averaging the equations of the membrane-potential dynamics. However, the averaging of synaptic current assumes that the neuron membrane potentials are nearly time invariant and that they remain at sub-threshold levels to retain the conductance-based model. This approximation limits the NMM to the non-firing state. In the present study, we newly propose a derivation of a NMM by alternatively approximating the synaptic current which is assumed to be independent of the membrane potential, thus adopting a current-based model. Our proposed model releases the constraint of the nearly constant membrane potential. We confirm that the obtained model is reducible to the previous model in the non-firing situation and that it reproduces the temporal mean values and relative power spectrum densities of the average membrane potentials for the spiking neurons. It is further ensured that the existing NMM properly models the averaged dynamics over individual neurons even if they are spiking in the populations.

Determinants of Perceived Stress in Individuals with Obesity: Exploring the Relationship of Potentially Obesity-Related Factors and Perceived Stress.

PubMed

Junne, Florian; Ziser, Katrin; Giel, Katrin Elisabeth; Schag, Kathrin; Skoda, Eva; Mack, Isabelle; Niess, Andreas; Zipfel, Stephan; Teufel, Martin

2017-01-01

Associations of specific types of stress with increased food intake and subsequent weight gain have been demonstrated in animal models as well as in experimental and epidemiological studies on humans. This study explores the research question of to what extent potentially obesity-related factors determine perceived stress in individuals with obesity. N = 547 individuals with obesity participated in a cross-sectional study assessing perceived stress as the outcome variable and potential determinants of stress related to obesity. Based on the available evidence, a five factorial model of 'obesity-related obesogenic stressors' was hypothesized, including the dimensions, 'drive for thinness', 'impulse regulation', 'ineffectiveness', 'social insecurity', and 'body dissatisfaction'. The model was tested using multiple linear regression analyses. The five factorial model of 'potentially obesity-related stressors' resulted in a total variance explanation of adjusted R² = 0.616 for males and adjusted R² = 0.595 for females for perceived stress. The relative variance contribution of the five included factors differed substantially for the two sexes. The findings of this cross-sectional study support the hypothesized, potentially obesity-related factors: 'drive for thinness', 'impulse regulation', 'ineffectiveness', 'social insecurity', and 'body dissatisfaction' as relevant determinants of perceived stress in individuals with obesity. © 2017 The Author(s) Published by S. Karger GmbH, Freiburg.

Atomistic simulations of carbon diffusion and segregation in liquid silicon

NASA Astrophysics Data System (ADS)

Luo, Jinping; Alateeqi, Abdullah; Liu, Lijun; Sinno, Talid

2017-12-01

The diffusivity of carbon atoms in liquid silicon and their equilibrium distribution between the silicon melt and crystal phases are key, but unfortunately not precisely known parameters for the global models of silicon solidification processes. In this study, we apply a suite of molecular simulation tools, driven by multiple empirical potential models, to compute diffusion and segregation coefficients of carbon at the silicon melting temperature. We generally find good consistency across the potential model predictions, although some exceptions are identified and discussed. We also find good agreement with the range of available experimental measurements of segregation coefficients. However, the carbon diffusion coefficients we compute are significantly lower than the values typically assumed in continuum models of impurity distribution. Overall, we show that currently available empirical potential models may be useful, at least semi-quantitatively, for studying carbon (and possibly other impurity) transport in silicon solidification, especially if a multi-model approach is taken.

Inside The Zone of Proximal Development: Validating A Multifactor Model Of Learning Potential With Gifted Students And Their Peers

ERIC Educational Resources Information Center

Kanevsky, Lannie; Geake, John

2004-01-01

Kanevsky (1995b) proposed a model of learning potential based on Vygotsky?s notions of "good learning" and the zone of proximal development. This study investigated the contributions of general knowledge, information processing efficiency, and metacognition to differences in the learning potential of 5 gifted nongifted students.…

Debye screening and a Thomas - Fermi model of a dyonic atom in a two potential theory of electromagnetism

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

Wolf, C.

1993-02-01

We study the screening of a central Abelian dyon by a surrounding dyon cloud in a two potential theory of electromagnetism. A generalized formula for the Debye screening length is obtained and a Thomas - Fermi Model for a charged cloud surrounding a central Dyonic Core is studied. 20 refs.

Zebrafish (Danio rerio): A Potential Model for Toxinological Studies.

PubMed

Vargas, Rafael Antonio; Sarmiento, Karen; Vásquez, Isabel Cristina

2015-10-01

Zebrafish are an emerging basic biomedical research model that has multiple advantages compared with other research models. Given that biotoxins, such as toxins, poisons, and venoms, represent health hazards to animals and humans, a low-cost biological model that is highly sensitive to biotoxins is useful to understand the damage caused by such agents and to develop biological tests to prevent and reduce the risk of poisoning in potential cases of bioterrorism or food contamination. In this article, a narrative review of the general aspects of zebrafish as a model in basic biomedical research and various studies in the field of toxinology that have used zebrafish as a biological model are presented. This information will provide useful material to beginner students and researchers who are interested in developing toxinological studies with the zebrafish model.

The Potential Neurotoxic Effects of Low-Dose Sarin Exposure in a Guinea Pig Model

DTIC Science & Technology

2002-01-01

1 THE POTENTIAL NEUROTOXIC EFFECTS OF LOW-DOSE SARIN EXPOSURE IN A GUINEA PIG MODEL Melinda R. Roberson, PhD, Michelle B. Schmidt...Proving Ground, MD 21010 USA ABSTRACT This study is assessing the effects in guinea pigs of repeated low-dose exposure to the nerve...COVERED - 4. TITLE AND SUBTITLE The Potential Neurotoxic Effects Of Low-Dose Sarin Exposure In A Guinea Pig Model 5a. CONTRACT NUMBER 5b

Using self-potential housing technique to model water seepage at the UNHAS housing Antang area

NASA Astrophysics Data System (ADS)

Syahruddin, Muhammad Hamzah

2017-01-01

The earth's surface has an electric potential that is known as self-potentiall (SP). One of the causes of the electrical potential at the earth's surface is water seepage into the ground. Electrical potential caused by water velocity seepage into the ground known as streaming potential. How to model water seepage into the ground at the housing Unhas Antang? This study was conducted to answer these questions. The self-potential measurements performed using a simple digital voltmeter Sanwa brand PC500 with a precision of 0.01 mV. While the coordinates of measurements points are self-potential using Global Positioning System. Mmeasurements results thus obtained are plotted using surfer image distribution self-potential housing Unhas Antang. The self-potential data housing Unhas Antang processed by Forward Modeling methods to get a model of water infiltration into the soil. Housing Unhas Antang self-potential has a value of 5 to 23 mV. Self-potential measurements carried out in the rainy season so it can be assumed that the measurement results caused by the velocity water seepage into the ground. The results of modeling the velocity water seepage from the surface to a depth of 3 meters was 2.4 cm/s to 0.2 cm /s. Modeling results showed that the velocity water seepage of the smaller with depth.

The Potential Effects of the Defense Business Board Military Compensation Task Group’s 2011 Recommendations on Active-Duty Service Member Retirement

DTIC Science & Technology

2012-12-01

system be implemented. In this study, we created a mathematical model to simulate accumulated savings under the proposed defined...retirement system be implemented. In this study, we created a mathematical model to simulate accumulated savings under the proposed defined...lumbering recovery, it has reemerged as a potential austerity measure within the U.S. government. B. METHODOLOGY We created a mathematical model of

Theoretical Study of Diamond-Like Carbons and Nucleation of Diamond

NASA Astrophysics Data System (ADS)

Lee, Choon-Heung

Different forms of amorphous carbon and hydrocarbons with varying elastic and optical properties, hardness, density and hydrogen content exist depending on the preparation technique. The structure can vary from graphitic to diamond -like, i.e., from mainly threefold coordinated to mainly four-fold coordinated. In order to study the properties of such materials, microscopic models must be developed. These studies include the modelling of crosslinked defective graphite, diamond nucleation along the graphite edges, and diamond-like carbons. Tamor's proposed structure for diamondlike carbon consists of crosslinked graphitic regions. We studied a concrete realization of this model in which the cross -links are produced by shortening the interplanar bond lengths. The model study was accomplished with a pure rhombohedral graphite cell. For this study we used a semi-empirical potential based on Tersoff's environment-dependent potential which contains angular terms. It is enhanced by a long-range potential which describes the interplanar interactions. We found a configuration corresponding to a local minimum. More general features such as the randomness of the distribution of cross-links are needed for a realistic model. A model study of diamond/graphite interfaces was motivated by recent observations by Li and Angus. They observed a significant enhancement of diamond nucleation on the graphite edge planes with the preferential orientation relationship: {0001} _{g} | {111 }_{d}, < 1120 >_{g} | < 101>_{d}. Two possible interface structures were studied using the Tersoff potential. We found that the models have comparable low interface energies even if they contain some dangling bonds. Moreover, lower interface energies were found when the dangling bonds of the non-bonded diamond layer were satisfied with hydrogen. We have proposed a growth mechanism based on this study. Finally, we constructed realistic models of dense amorphous carbon. The WWW (introduced earlier for a-Si by Wooten, Winer and Weaire) model was the starting structure. The effects of clustering of the threefold coordinated atoms in pairs, chains, or graphitic (planar hexagonal clusters) were studied. The resulting models were relaxed using the Tersoff potential. Their electronic structures were studied using an empirical tight-binding scheme with parameters adjusted to reproduce the diamond and graphite band-structures. The models were found to have densities of ~ 3 g/cm^3 and bulk moduli of ~3.1 Mbar. Localized dangling bonds and pi - pi^* states were found within the wide gap of the WWW model consistent with optical gaps of the order of 0.5-2 eV. Hydrogen atoms were introduced to remove some of the dangling bonds. The models were found to account for the essential features of ion-beam deposited amorphous carbon and hydrogenated amorphous carbon.

Transient finite element analysis of electric double layer using Nernst-Planck-Poisson equations with a modified Stern layer.

PubMed

Lim, Jongil; Whitcomb, John; Boyd, James; Varghese, Julian

2007-01-01

A finite element implementation of the transient nonlinear Nernst-Planck-Poisson (NPP) and Nernst-Planck-Poisson-modified Stern (NPPMS) models is presented. The NPPMS model uses multipoint constraints to account for finite ion size, resulting in realistic ion concentrations even at high surface potential. The Poisson-Boltzmann equation is used to provide a limited check of the transient models for low surface potential and dilute bulk solutions. The effects of the surface potential and bulk molarity on the electric potential and ion concentrations as functions of space and time are studied. The ability of the models to predict realistic energy storage capacity is investigated. The predicted energy is much more sensitive to surface potential than to bulk solution molarity.

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.

a Speculative Study on Negative-Dimensional Potential and Wave Problems by Implicit Calculus Modeling Approach

NASA Astrophysics Data System (ADS)

Chen, Wen; Wang, Fajie

Based on the implicit calculus equation modeling approach, this paper proposes a speculative concept of the potential and wave operators on negative dimensionality. Unlike the standard partial differential equation (PDE) modeling, the implicit calculus modeling approach does not require the explicit expression of the PDE governing equation. Instead the fundamental solution of physical problem is used to implicitly define the differential operator and to implement simulation in conjunction with the appropriate boundary conditions. In this study, we conjecture an extension of the fundamental solution of the standard Laplace and Helmholtz equations to negative dimensionality. And then by using the singular boundary method, a recent boundary discretization technique, we investigate the potential and wave problems using the fundamental solution on negative dimensionality. Numerical experiments reveal that the physics behaviors on negative dimensionality may differ on positive dimensionality. This speculative study might open an unexplored territory in research.

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

McLaughlin, E.; Gupta, S.

This project mainly involves a molecular dynamics and Monte Carlo study of the effect of molecular shape on thermophysical properties of bulk fluids with an emphasis on the aromatic hydrocarbon liquids. In this regard we have studied the modeling, simulation methodologies, and predictive and correlating methods for thermodynamic properties of fluids of nonspherical molecules. In connection with modeling we have studied the use of anisotropic site-site potentials, through a modification of the Gay-Berne Gaussian overlap potential, to successfully model the aromatic rings after adding the necessary electrostatic moments. We have also shown these interaction sites should be located at themore » geometric centers of the chemical groups. In connection with predictive methods, we have shown two perturbation type theories to work well for fluids modeled using one-center anisotropic potentials and the possibility exists for extending these to anisotropic site-site models. In connection with correlation methods, we have studied, through simulations, the effect of molecular shape on the attraction term in the generalized van der Waals equation of state for fluids of nonspherical molecules and proposed a possible form which is to be studied further. We have successfully studied the vector and parallel processing aspects of molecular simulations for fluids of nonspherical molecules.« less

Potential-based and non-potential-based cohesive zone formulations under mixed-mode separation and over-closure-Part II: Finite element applications

NASA Astrophysics Data System (ADS)

Máirtín, Éamonn Ó.; Parry, Guillaume; Beltz, Glenn E.; McGarry, J. Patrick

2014-02-01

This paper, the second of two parts, presents three novel finite element case studies to demonstrate the importance of normal-tangential coupling in cohesive zone models (CZMs) for the prediction of mixed-mode interface debonding. Specifically, four new CZMs proposed in Part I of this study are implemented, namely the potential-based MP model and the non-potential-based NP1, NP2 and SMC models. For comparison, simulations are also performed for the well established potential-based Xu-Needleman (XN) model and the non-potential-based model of van den Bosch, Schreurs and Geers (BSG model). Case study 1: Debonding and rebonding of a biological cell from a cyclically deforming silicone substrate is simulated when the mode II work of separation is higher than the mode I work of separation at the cell-substrate interface. An active formulation for the contractility and remodelling of the cell cytoskeleton is implemented. It is demonstrated that when the XN potential function is used at the cell-substrate interface repulsive normal tractions are computed, preventing rebonding of significant regions of the cell to the substrate. In contrast, the proposed MP potential function at the cell-substrate interface results in negligible repulsive normal tractions, allowing for the prediction of experimentally observed patterns of cell cytoskeletal remodelling. Case study 2: Buckling of a coating from the compressive surface of a stent is simulated. It is demonstrated that during expansion of the stent the coating is initially compressed into the stent surface, while simultaneously undergoing tangential (shear) tractions at the coating-stent interface. It is demonstrated that when either the proposed NP1 or NP2 model is implemented at the stent-coating interface mixed-mode over-closure is correctly penalised. Further expansion of the stent results in the prediction of significant buckling of the coating from the stent surface, as observed experimentally. In contrast, the BSG model does not correctly penalise mixed-mode over-closure at the stent-coating interface, significantly altering the stress state in the coating and preventing the prediction of buckling. Case study 3: Application of a displacement to the base of a bi-layered composite arch results in a symmetric sinusoidal distribution of normal and tangential traction at the arch interface. The traction defined mode mixity at the interface ranges from pure mode II at the base of the arch to pure mode I at the top of the arch. It is demonstrated that predicted debonding patterns are highly sensitive to normal-tangential coupling terms in a CZM. The NP2, XN, and BSG models exhibit a strong bias towards mode I separation at the top of the arch, while the NP1 model exhibits a bias towards mode II debonding at the base of the arch. Only the SMC model provides mode-independent behaviour in the early stages of debonding. This case study provides a practical example of the importance of the behaviour of CZMs under conditions of traction controlled mode mixity, following from the theoretical analysis presented in Part I of this study.

Using a binary logistic regression method and GIS for evaluating and mapping the groundwater spring potential in the Sultan Mountains (Aksehir, Turkey)

NASA Astrophysics Data System (ADS)

Ozdemir, Adnan

2011-07-01

SummaryThe purpose of this study is to produce a groundwater spring potential map of the Sultan Mountains in central Turkey, based on a logistic regression method within a Geographic Information System (GIS) environment. Using field surveys, the locations of the springs (440 springs) were determined in the study area. In this study, 17 spring-related factors were used in the analysis: geology, relative permeability, land use/land cover, precipitation, elevation, slope, aspect, total curvature, plan curvature, profile curvature, wetness index, stream power index, sediment transport capacity index, distance to drainage, distance to fault, drainage density, and fault density map. The coefficients of the predictor variables were estimated using binary logistic regression analysis and were used to calculate the groundwater spring potential for the entire study area. The accuracy of the final spring potential map was evaluated based on the observed springs. The accuracy of the model was evaluated by calculating the relative operating characteristics. The area value of the relative operating characteristic curve model was found to be 0.82. These results indicate that the model is a good estimator of the spring potential in the study area. The spring potential map shows that the areas of very low, low, moderate and high groundwater spring potential classes are 105.586 km 2 (28.99%), 74.271 km 2 (19.906%), 101.203 km 2 (27.14%), and 90.05 km 2 (24.671%), respectively. The interpretations of the potential map showed that stream power index, relative permeability of lithologies, geology, elevation, aspect, wetness index, plan curvature, and drainage density play major roles in spring occurrence and distribution in the Sultan Mountains. The logistic regression approach has not yet been used to delineate groundwater potential zones. In this study, the logistic regression method was used to locate potential zones for groundwater springs in the Sultan Mountains. The evolved model was found to be in strong agreement with the available groundwater spring test data. Hence, this method can be used routinely in groundwater exploration under favourable conditions.

New Coarse-Grained Model and Its Implementation in Simulations of Graphene Assemblies.

PubMed

Shang, Jun-Jun; Yang, Qing-Sheng; Liu, Xia

2017-08-08

Graphene is a one-atom thick layer of carbon atoms arranged in a hexagonal pattern, which makes it the strongest material in the world. The Tersoff potential is a suitable potential for simulating the mechanical behavior of the complex covalently bonded system of graphene. In this paper, we describe a new coarse-grained (CG) potential, TersoffCG, which is based on the function form of the Tersoff potential. The TersoffCG applies to a CG model of graphene that uses the same hexagonal pattern as the atomistic model. The parameters of the TersoffCG potential are determined using structural feature and potential-energy fitting between the CG model and the atomic model. The modeling process of graphene is highly simplified using the present CG model as it avoids the necessity to define bonds/angles/dihedrals connectivity. What is more, the present CG model provides a new perspective of coarse-graining scheme for crystal structures of nanomaterials. The structural changes and mechanical properties of multilayer graphene were calculated using the new potential. Furthermore, a CG model of a graphene aerogel was built in a specific form of assembly. The chemical bonding in the joints of graphene-aerogel forms automatically during the energy relaxation process. The compressive and recover test of the graphene aerogel was reproduced to study its high elasticity. Our computational examples show that the TersoffCG potential can be used for simulations of graphene and its assemblies, which have many applications in areas of environmental protection, aerospace engineering, and others.

An Assessment Model for Energy Efficiency Program Planning in Electric Utilities: Case of the Pacific of Northwest U.S.A

NASA Astrophysics Data System (ADS)

Iskin, Ibrahim

Energy efficiency stands out with its potential to address a number of challenges that today's electric utilities face, including increasing and changing electricity demand, shrinking operating capacity, and decreasing system reliability and flexibility. Being the least cost and least risky alternative, the share of energy efficiency programs in utilities' energy portfolios has been on the rise since the 1980s, and their increasing importance is expected to continue in the future. Despite holding great promise, the ability to determine and invest in only the most promising program alternatives plays a key role in the successful use of energy efficiency as a utility-wide resource. This issue becomes even more significant considering the availability of a vast number of potential energy efficiency programs, the rapidly changing business environment, and the existence of multiple stakeholders. This dissertation introduces hierarchical decision modeling as the framework for energy efficiency program planning in electric utilities. The model focuses on the assessment of emerging energy efficiency programs and proposes to bridge the gap between technology screening and cost/benefit evaluation practices. This approach is expected to identify emerging technology alternatives which have the highest potential to pass cost/benefit ratio testing procedures and contribute to the effectiveness of decision practices in energy efficiency program planning. The model also incorporates rank order analysis and sensitivity analysis for testing the robustness of results from different stakeholder perspectives and future uncertainties in an attempt to enable more informed decision-making practices. The model was applied to the case of 13 high priority emerging energy efficiency program alternatives identified in the Pacific Northwest, U.S.A. The results of this study reveal that energy savings potential is the most important program management consideration in selecting emerging energy efficiency programs. Market dissemination potential and program development and implementation potential are the second and third most important, whereas ancillary benefits potential is the least important program management consideration. The results imply that program value considerations, comprised of energy savings potential and ancillary benefits potential; and program feasibility considerations, comprised of program development and implementation potential and market dissemination potential, have almost equal impacts on assessment of emerging energy efficiency programs. Considering the overwhelming number of value-focused studies and the few feasibility-focused studies in the literature, this finding clearly shows that feasibility-focused studies are greatly understudied. The hierarchical decision model developed in this dissertation is generalizable. Thus, other utilities or power systems can adopt the research steps employed in this study as guidelines and conduct similar assessment studies on emerging energy efficiency programs of their interest.

Predicting Child Abuse Potential: An Empirical Investigation of Two Theoretical Frameworks

ERIC Educational Resources Information Center

Begle, Angela Moreland; Dumas, Jean E.; Hanson, Rochelle F.

2010-01-01

This study investigated two theoretical risk models predicting child maltreatment potential: (a) Belsky's (1993) developmental-ecological model and (b) the cumulative risk model in a sample of 610 caregivers (49% African American, 46% European American; 53% single) with a child between 3 and 6 years old. Results extend the literature by using a…

Wildfire potential evaluation during a drought event with a regional climate model and NDVI

Treesearch

Y. Liu; J. Stanturf; S. Goodrick

2010-01-01

Regional climate modeling is a technique for simulating high-resolution physical processes in the atmosphere, soil and vegetation. It can be used to evaluate wildfire potential by either providing meteorological conditions for computation of fire indices or predicting soil moisture as a direct measure of fire potential. This study examines these roles using a regional...

A case study for the integration of predictive mineral potential maps

NASA Astrophysics Data System (ADS)

Lee, Saro; Oh, Hyun-Joo; Heo, Chul-Ho; Park, Inhye

2014-09-01

This study aims to elaborate on the mineral potential maps using various models and verify the accuracy for the epithermal gold (Au) — silver (Ag) deposits in a Geographic Information System (GIS) environment assuming that all deposits shared a common genesis. The maps of potential Au and Ag deposits were produced by geological data in Taebaeksan mineralized area, Korea. The methodological framework consists of three main steps: 1) identification of spatial relationships 2) quantification of such relationships and 3) combination of multiple quantified relationships. A spatial database containing 46 Au-Ag deposits was constructed using GIS. The spatial association between training deposits and 26 related factors were identified and quantified by probabilistic and statistical modelling. The mineral potential maps were generated by integrating all factors using the overlay method and recombined afterwards using the likelihood ratio model. They were verified by comparison with test mineral deposit locations. The verification revealed that the combined mineral potential map had the greatest accuracy (83.97%), whereas it was 72.24%, 65.85%, 72.23% and 71.02% for the likelihood ratio, weight of evidence, logistic regression and artificial neural network models, respectively. The mineral potential map can provide useful information for the mineral resource development.

Wave Energy Potential in the Eastern Mediterranean Levantine Basin. An Integrated 10-year Study

DTIC Science & Technology

2014-01-01

SUBTITLE Wave energy potential in the Eastern Mediterranean Levantine Basin. An integrated 10-year study 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c... Cardone CV, Ewing JA, et al. The WAM model e a third generation ocean wave prediction model. J Phys Oceanogr 1988;18(12):1775e810. [70] Varinou M

Application of Satellite Data to Develop Wind Potential Model: A Case Study of Pakistan Coastal Belt

NASA Astrophysics Data System (ADS)

Nayyar, Z. A.; Zaigham, N. A.

2010-12-01

Since the independence in 1947, the Pakistan relies on the conventional resources for the generation of electricity. Since the local production of fossil fuel is not sufficient to fulfill the growing need of the country, the major economic burden involves huge import of petroleum products. In such a situation, the renewable energy resources are imperative in view to substantiate the economic burden. Wind energy resource is one of them, which is freely available and environmental friendly in nature. Pakistan is the late starter in the field of wind energy technology mainly because of the unavailability of the baseline wind data. As such, the adequate wind modeling and identification of the potential areas are imperative for the development of wind energy technology in the country. Present research study is carried out, based on the available satellite-collected wind data, to establish the rational wind potential model(s) of lower Indus Plains and Sindh coastal areas of Pakistan. The results of the present study reveals interesting pattern of the wind energy potential demarcating the higher wind energy resource zones and indicating hot spots for the future wind-farm installations. This paper describes the use of available satellite-collected wind data in the demarcation and modeling of wind potential along the lower Indus coastal belt and the methodology could be replicated on other parts of Pakistan and/or other counties.

Identification of promising DNA GyrB inhibitors for Tuberculosis using pharmacophore-based virtual screening, molecular docking and molecular dynamics studies.

PubMed

Islam, Md Ataul; Pillay, Tahir S

2017-08-01

In this study, we searched for potential DNA GyrB inhibitors using pharmacophore-based virtual screening followed by molecular docking and molecular dynamics simulation approaches. For this purpose, a set of 248 DNA GyrB inhibitors was collected from the literature and a well-validated pharmacophore model was generated. The best pharmacophore model explained that two each of hydrogen bond acceptors and hydrophobicity regions were critical for inhibition of DNA GyrB. Good statistical results of the pharmacophore model indicated that the model was robust in nature. Virtual screening of molecular databases revealed three molecules as potential antimycobacterial agents. The final screened promising compounds were evaluated in molecular docking and molecular dynamics simulation studies. In the molecular dynamics studies, RMSD and RMSF values undoubtedly explained that the screened compounds formed stable complexes with DNA GyrB. Therefore, it can be concluded that the compounds identified may have potential for the treatment of TB. © 2017 John Wiley & Sons A/S.

Short-Term Memory and Its Biophysical Model

NASA Astrophysics Data System (ADS)

Wang, Wei; Zhang, Kai; Tang, Xiao-wei

1996-12-01

The capacity of short-term memory has been studied using an integrate-and-fire neuronal network model. It is found that the storage of events depend on the manner of the correlation between the events, and the capacity is dominated by the value of after-depolarization potential. There is a monotonic increasing relationship between the value of after-depolarization potential and the memory numbers. The biophysics relevance of the network model is discussed and different kinds of the information processes are studied too.

Vacuum Stability in Split SUSY and Little Higgs Models

NASA Astrophysics Data System (ADS)

Datta, Alakabha; Zhang, Xinmin

We study the stability of the effective Higgs potential in the split supersymmetry and Little Higgs models. In particular, we study the effects of higher dimensional operators in the effective potential on the Higgs mass predictions. We find that the size and sign of the higher dimensional operators can significantly change the Higgs mass required to maintain vacuum stability in Split SUSY models. In the Little Higgs models the effects of higher dimensional operators can be large because of a relatively lower cutoff scale. Working with a specific model we find that a contribution from the higher dimensional operator with coefficient of O(1) can destabilize the vacuum.

Effect of attractive interactions on the water-like anomalies of a core-softened model potential.

PubMed

Pant, Shashank; Gera, Tarun; Choudhury, Niharendu

2013-12-28

It is now well established that water-like anomalies can be reproduced by a spherically symmetric potential with two length scales, popularly known as core-softened potential. In the present study we aim to investigate the effect of attractive interactions among the particles in a model fluid interacting with core-softened potential on the existence and location of various water-like anomalies in the temperature-pressure plane. We employ extensive molecular dynamic simulations to study anomalous nature of various order parameters and properties under isothermal compression. Order map analyses have also been done for all the potentials. We observe that all the systems with varying depth of attractive wells show structural, dynamic, and thermodynamic anomalies. As many of the previous studies involving model water and a class of core softened potentials have concluded that the structural anomaly region encloses the diffusion anomaly region, which in turn, encloses the density anomaly region, the same pattern has also been observed in the present study for the systems with less depth of attractive well. For the systems with deeper attractive well, we observe that the diffusion anomaly region shifts toward higher densities and is not always enclosed by the structural anomaly region. Also, density anomaly region is not completely enclosed by diffusion anomaly region in this case.

Reopen parameter regions in two-Higgs doublet models

NASA Astrophysics Data System (ADS)

Staub, Florian

2018-01-01

The stability of the electroweak potential is a very important constraint for models of new physics. At the moment, it is standard for Two-Higgs doublet models (THDM), singlet or triplet extensions of the standard model to perform these checks at tree-level. However, these models are often studied in the presence of very large couplings. Therefore, it can be expected that radiative corrections to the potential are important. We study these effects at the example of the THDM type-II and find that loop corrections can revive more than 50% of the phenomenological viable points which are ruled out by the tree-level vacuum stability checks. Similar effects are expected for other extension of the standard model.

Evaluation of agricultural nonpoint source pollution potential risk over China with a Transformed-Agricultural Nonpoint Pollution Potential Index method.

PubMed

Yang, Fei; Xu, Zhencheng; Zhu, Yunqiang; He, Chansheng; Wu, Genyi; Qiu, Jin Rong; Fu, Qiang; Liu, Qingsong

2013-01-01

Agricultural nonpoint source (NPS) pollution has been the most important threat to water environment quality. Understanding the spatial distribution of NPS pollution potential risk is important for taking effective measures to control and reduce NPS pollution. A Transformed-Agricultural Nonpoint Pollution Potential Index (T-APPI) model was constructed for evaluating the national NPS pollution potential risk in this study; it was also combined with remote sensing and geographic information system techniques for evaluation on the large scale and at 1 km2 spatial resolution. This model considers many factors contributing to the NPS pollution as the original APPI model, summarized as four indicators of the runoff, sediment production, chemical use and the people and animal load. These four indicators were analysed in detail at 1 km2 spatial resolution throughout China. The T-APPI model distinguished the four indicators into pollution source factors and transport process factors; it also took their relationship into consideration. The studied results showed that T-APPI is a credible and convenient method for NPS pollution potential risk evaluation. The results also indicated that the highest NPS pollution potential risk is distributed in the middle-southern Jiangsu province. Several other regions, including the North China Plain, Chengdu Basin Plain, Jianghan Plain, cultivated lands in Guangdong and Guangxi provinces, also showed serious NPS pollution potential. This study can provide a scientific reference for predicting the future NPS pollution risk throughout China and may be helpful for taking reasonable and effective measures for preventing and controlling NPS pollution.

Application of screened Coulomb potential in fitting DBV star PG 0112+104

NASA Astrophysics Data System (ADS)

Chen, Y. H.

2018-03-01

With 78.7 d of observations for PG 0112+104, a pulsating DB star, from Campaign 8 of Kepler 2 mission, Hermes et al. made a detailed mode identification. A reliable mode identification, with 5 l = 1 modes, 3 l = 2 modes, and 3 l = 1 or 2 modes, was identified. Grids of DBV star models are evolved by WDEC with element diffusion effect of pure Coulomb potential and screened Coulomb potential. Fitting the identified modes of PG 0112+104 by the calculated ones, we studied the difference of element diffusion effect between adopting pure Coulomb potential and screened Coulomb potential. Our aim is to reduce the fitting error by studying new input physics. The starting models including their chemical composition profile are from white dwarf models evolved by MESA. They were calculated following the stellar evolution from the main sequence to the start of the white dwarf cooling sequences. The optimal parameters are basically consistent with that of previous spectroscopic and asteroseismological studies. The pure and screened Coulomb potential lead to different composition profiles of the C/O-He interface area. High k modes are very sensitive to the area. However, most of the observed modes for PG 0112+104 are low k modes. The σRMS taking the screened Coulomb potential is reduced by 4 per cent compared with taking the pure Coulomb potential when fitting the identified low k modes of PG 0112+104. Fitting the Kepler 2 data with our models improved the σRMS of the fit by 27 per cent.

Growth rate in the dynamical dark energy models.

PubMed

Avsajanishvili, Olga; Arkhipova, Natalia A; Samushia, Lado; Kahniashvili, Tina

Dark energy models with a slowly rolling cosmological scalar field provide a popular alternative to the standard, time-independent cosmological constant model. We study the simultaneous evolution of background expansion and growth in the scalar field model with the Ratra-Peebles self-interaction potential. We use recent measurements of the linear growth rate and the baryon acoustic oscillation peak positions to constrain the model parameter [Formula: see text] that describes the steepness of the scalar field potential.

The behavior of commensurate-incommensurate transitions using the phase field crystal model

NASA Astrophysics Data System (ADS)

Zhang, Tinghui; Lu, Yanli; Chen, Zheng

2018-02-01

We study the behavior of the commensurate-incommensurate (CI) transitions by using a phase field crystal model. The model is capable of modeling both elastic and plastic deformation and can simulate the evolution of the microstructure of the material at the atomic scale and the diffusive time scale, such as for adsorbed monolayer. Specifically, we study the behavior of the CI transitions as a function of lattice mismatch and the amplitude of substrate pinning potential. The behavior of CI phase transitions is revealed with the increase of the amplitude of pinning potential in some certain lattice mismatches. We find that for the negative lattice mismatch absorbed monolayer undergoes division, reorganization and displacement as increasing the amplitude of substrate pinning potential. In addition, for the positive mismatch absorbed monolayer undergoes a progress of phase transformation after a complete grain is split. Our results accord with simulations for atomic models of absorbed monolayer on a substrate surface.

FAST TRACK COMMUNICATION: \\ {P}\\ {T}-symmetry, Cartan decompositions, Lie triple systems and Krein space-related Clifford algebras

NASA Astrophysics Data System (ADS)

Günther, Uwe; Kuzhel, Sergii

2010-10-01

Gauged \\ {P}\\ {T} quantum mechanics (PTQM) and corresponding Krein space setups are studied. For models with constant non-Abelian gauge potentials and extended parity inversions compact and noncompact Lie group components are analyzed via Cartan decompositions. A Lie-triple structure is found and an interpretation as \\ {P}\\ {T}-symmetrically generalized Jaynes-Cummings model is possible with close relation to recently studied cavity QED setups with transmon states in multilevel artificial atoms. For models with Abelian gauge potentials a hidden Clifford algebra structure is found and used to obtain the fundamental symmetry of Krein space-related J-self-adjoint extensions for PTQM setups with ultra-localized potentials.

Studies of potential intelligent transportation systems benefits using traffic simulation modeling

DOT National Transportation Integrated Search

1996-06-01

This report documents five studies performed by Mitretek Systems, Inc. to analyze potential : benefits of Intelligent Transportation Systems (ITS) deployment, in support of the ITS : Architecture Development Program. The studies explore the operation...

Thermal transport in UO 2 with defects and fission products by molecular dynamics simulations

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

Liu, Xiang-Yang; Cooper, Michael William Donald; Mcclellan, Kenneth James

2015-10-14

The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO 2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO 2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U 5+ and Zr 4+ in UO 2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then correctedmore » for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO 2+x samples.« less

Determinants of Perceived Stress in Individuals with Obesity: Exploring the Relationship of Potentially Obesity-Related Factors and Perceived Stress

PubMed Central

Junne, Florian; Ziser, Katrin; Giel, Katrin Elisabeth; Schag, Kathrin; Skoda, Eva; Mack, Isabelle; Niess, Andreas; Zipfel, Stephan; Teufel, Martin

2017-01-01

Objective Associations of specific types of stress with increased food intake and subsequent weight gain have been demonstrated in animal models as well as in experimental and epidemiological studies on humans. This study explores the research question of to what extent potentially obesity-related factors determine perceived stress in individuals with obesity. Methods N = 547 individuals with obesity participated in a cross-sectional study assessing perceived stress as the outcome variable and potential determinants of stress related to obesity. Based on the available evidence, a five factorial model of ‘obesity-related obesogenic stressors’ was hypothesized, including the dimensions, ‘drive for thinness’, ‘impulse regulation’, ‘ineffectiveness’, ‘social insecurity’, and ‘body dissatisfaction’. The model was tested using multiple linear regression analyses. Results The five factorial model of ‘potentially obesity-related stressors’ resulted in a total variance explanation of adjusted R² = 0.616 for males and adjusted R² = 0.595 for females for perceived stress. The relative variance contribution of the five included factors differed substantially for the two sexes. Conclusion The findings of this cross-sectional study support the hypothesized, potentially obesity-related factors: ‘drive for thinness’, ‘impulse regulation’, ‘ineffectiveness’, ‘social insecurity’, and ‘body dissatisfaction’ as relevant determinants of perceived stress in individuals with obesity. PMID:28433993

Transport properties and efficiency of elastically coupled particles in asymmetric periodic potentials

NASA Astrophysics Data System (ADS)

Igarashi, Akito; Tsukamoto, Shinji

2000-02-01

Biological molecular motors drive unidirectional transport and transduce chemical energy to mechanical work. In order to identify this energy conversion which is a common feature of molecular motors, many workers have studied various physical models, which consist of Brownian particles in spatially periodic potentials. Most of the models are, however, based on "single-particle" dynamics and too simple as models for biological motors, especially for actin-myosin motors, which cause muscle contraction. In this paper, particles coupled by elastic strings in an asymmetric periodic potential are considered as a model for the motors. We investigate the dynamics of the model and calculate the efficiency of energy conversion with the use of molecular dynamical method. In particular, we find that the velocity and efficiency of the elastically coupled particles where the natural length of the springs is incommensurable with the period of the periodic potential are larger than those of the corresponding single particle model.

A GIS-based approach for comparative analysis of potential fire risk assessment

NASA Astrophysics Data System (ADS)

Sun, Ying; Hu, Lieqiu; Liu, Huiping

2007-06-01

Urban fires are one of the most important sources of property loss and human casualty and therefore it is necessary to assess the potential fire risk with consideration of urban community safety. Two evaluation models are proposed, both of which are integrated with GIS. One is the single factor model concerning the accessibility of fire passage and the other is grey clustering approach based on the multifactor system. In the latter model, fourteen factors are introduced and divided into four categories involving security management, evacuation facility, construction resistance and fire fighting capability. A case study on campus of Beijing Normal University is presented to express the potential risk assessment models in details. A comparative analysis of the two models is carried out to validate the accuracy. The results are approximately consistent with each other. Moreover, modeling with GIS promotes the efficiency the potential risk assessment.

Alternans promotion in cardiac electrophysiology models by delay differential equations.

PubMed

Gomes, Johnny M; Dos Santos, Rodrigo Weber; Cherry, Elizabeth M

2017-09-01

Cardiac electrical alternans is a state of alternation between long and short action potentials and is frequently associated with harmful cardiac conditions. Different dynamic mechanisms can give rise to alternans; however, many cardiac models based on ordinary differential equations are not able to reproduce this phenomenon. A previous study showed that alternans can be induced by the introduction of delay differential equations (DDEs) in the formulations of the ion channel gating variables of a canine myocyte model. The present work demonstrates that this technique is not model-specific by successfully promoting alternans using DDEs for five cardiac electrophysiology models that describe different types of myocytes, with varying degrees of complexity. By analyzing results across the different models, we observe two potential requirements for alternans promotion via DDEs for ionic gates: (i) the gate must have a significant influence on the action potential duration and (ii) a delay must significantly impair the gate's recovery between consecutive action potentials.

Teacher Evaluation Models: Compliance or Growth Oriented?

ERIC Educational Resources Information Center

Clenchy, Kelly R.

2017-01-01

This research study reviewed literature specific to the evolution of teacher evaluation models and explored the effectiveness of standards-based evaluation models' potential to facilitate professional growth. The researcher employed descriptive phenomenology to conduct a study of teachers' perceptions of a standard-based evaluation model's…

Experiments and Reaction Models of Fundamental Combustion Properties

DTIC Science & Technology

2010-05-31

in liquid hydrocarbon flames Lennard - Jones 12-6 potential parameters were estimated for n-alkanes and 1-alkenes with carbon numbers ranging from 5...hydrocarbons, were studied both experimentally and numerically. The fuel mixtures were chosen in order to gain insight into potential kinetic couplings...initio electronic structure theory, transition state theory, and master equation modelling. The potential energy surface was examined with the coupled

Modeling potential future individual tree-species distributions in the eastern United States under a climate change scenario: a case study with Pinus virginiana

Treesearch

Louis R. Iverson; Anantha Prasad; Mark W. Schwartz; Mark W. Schwartz

1999-01-01

We are using a deterministic regression tree analysis model (DISTRIB) and a stochastic migration model (SHIFT) to examine potential distributions of ~66 individual species of eastern US trees under a 2 x CO2 climate change scenario. This process is demonstrated for Virginia pine (Pinus virginiana).

The relation between degree-2160 spectral models of Earth's gravitational and topographic potential: a guide on global correlation measures and their dependency on approximation effects

NASA Astrophysics Data System (ADS)

Hirt, Christian; Rexer, Moritz; Claessens, Sten; Rummel, Reiner

2017-10-01

Comparisons between high-degree models of the Earth's topographic and gravitational potential may give insight into the quality and resolution of the source data sets, provide feedback on the modelling techniques and help to better understand the gravity field composition. Degree correlations (cross-correlation coefficients) or reduction rates (quantifying the amount of topographic signal contained in the gravitational potential) are indicators used in a number of contemporary studies. However, depending on the modelling techniques and underlying levels of approximation, the correlation at high degrees may vary significantly, as do the conclusions drawn. The present paper addresses this problem by attempting to provide a guide on global correlation measures with particular emphasis on approximation effects and variants of topographic potential modelling. We investigate and discuss the impact of different effects (e.g., truncation of series expansions of the topographic potential, mass compression, ellipsoidal versus spherical approximation, ellipsoidal harmonic coefficient versus spherical harmonic coefficient (SHC) representation) on correlation measures. Our study demonstrates that the correlation coefficients are realistic only when the model's harmonic coefficients of a given degree are largely independent of the coefficients of other degrees, permitting degree-wise evaluations. This is the case, e.g., when both models are represented in terms of SHCs and spherical approximation (i.e. spherical arrangement of field-generating masses). Alternatively, a representation in ellipsoidal harmonics can be combined with ellipsoidal approximation. The usual ellipsoidal approximation level (i.e. ellipsoidal mass arrangement) is shown to bias correlation coefficients when SHCs are used. Importantly, gravity models from the International Centre for Global Earth Models (ICGEM) are inherently based on this approximation level. A transformation is presented that enables a transformation of ICGEM geopotential models from ellipsoidal to spherical approximation. The transformation is applied to generate a spherical transform of EGM2008 (sphEGM2008) that can meaningfully be correlated degree-wise with the topographic potential. We exploit this new technique and compare a number of models of topographic potential constituents (e.g., potential implied by land topography, ocean water masses) based on the Earth2014 global relief model and a mass-layer forward modelling technique with sphEGM2008. Different to previous findings, our results show very significant short-scale correlation between Earth's gravitational potential and the potential generated by Earth's land topography (correlation +0.92, and 60% of EGM2008 signals are delivered through the forward modelling). Our tests reveal that the potential generated by Earth's oceans water masses is largely unrelated to the geopotential at short scales, suggesting that altimetry-derived gravity and/or bathymetric data sets are significantly underpowered at 5 arc-min scales. We further decompose the topographic potential into the Bouguer shell and terrain correction and show that they are responsible for about 20 and 25% of EGM2008 short-scale signals, respectively. As a general conclusion, the paper shows the importance of using compatible models in topographic/gravitational potential comparisons and recommends the use of SHCs together with spherical approximation or EHCs with ellipsoidal approximation in order to avoid biases in the correlation measures.

Consistency of the tachyon warm inflationary universe models

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

Zhang, Xiao-Min; Zhu, Jian-Yang, E-mail: zhangxm@mail.bnu.edu.cn, E-mail: zhujy@bnu.edu.cn

2014-02-01

This study concerns the consistency of the tachyon warm inflationary models. A linear stability analysis is performed to find the slow-roll conditions, characterized by the potential slow-roll (PSR) parameters, for the existence of a tachyon warm inflationary attractor in the system. The PSR parameters in the tachyon warm inflationary models are redefined. Two cases, an exponential potential and an inverse power-law potential, are studied, when the dissipative coefficient Γ = Γ{sub 0} and Γ = Γ(φ), respectively. A crucial condition is obtained for a tachyon warm inflationary model characterized by the Hubble slow-roll (HSR) parameter ε{sub H}, and the conditionmore » is extendable to some other inflationary models as well. A proper number of e-folds is obtained in both cases of the tachyon warm inflation, in contrast to existing works. It is also found that a constant dissipative coefficient (Γ = Γ{sub 0}) is usually not a suitable assumption for a warm inflationary model.« less

Prediction model of sinoatrial node field potential using high order partial least squares.

PubMed

Feng, Yu; Cao, Hui; Zhang, Yanbin

2015-01-01

High order partial least squares (HOPLS) is a novel data processing method. It is highly suitable for building prediction model which has tensor input and output. The objective of this study is to build a prediction model of the relationship between sinoatrial node field potential and high glucose using HOPLS. The three sub-signals of the sinoatrial node field potential made up the model's input. The concentration and the actuation duration of high glucose made up the model's output. The results showed that on the premise of predicting two dimensional variables, HOPLS had the same predictive ability and a lower dispersion degree compared with partial least squares (PLS).

Interaction of phloretin with lipid monolayers: relationship between structural changes and dipole potential change.

PubMed Central

Cseh, R; Benz, R

1999-01-01

Phloretin is known to adsorb to lipid surfaces and alters the dipole potential of lipid monolayers and bilayers. Its adsorption to biological and artificial membranes results in a change of the membrane permeability for a variety of charged and neutral compounds. In this respect phloretin represents a model substance to study the effect of dipole potentials on membrane permeability. In this investigation we studied the interaction of phloretin with monolayers formed of different lipids in the liquid-expanded and the condensed state. Phloretin integrated into the monolayers as a function of the aqueous concentration of its neutral form, indicated by an increase of the surface pressure in the presence of phloretin. Simultaneous recording of the surface potential of the monolayers allowed us to correlate the degree of phloretin integration and the phloretin-induced dipole potential change. Increasing the surface pressure decreased the phloretin-induced shift of the isotherms, but did not influence the phloretin-induced surface potential change. This means that phloretin adsorption to the lipid surface can occur without affecting the lipid packing. The surface potential effect of phloretin is accompanied by a change of the lipid dipole moment vector dependent on the lipid packing. This means that the relation between the surface potential change and the lipid packing cannot be described by a static model alone. Taking into account the deviations of the surface potential change versus molecular area isotherms of the experimental data to the theoretically predicted course, we propose a model that relates the area change to the dipole moment in a dynamic manner. By using this model the experimental data can be described much better than with a static model. PMID:10465758

Integrating model abstraction into monitoring strategies

USDA-ARS?s Scientific Manuscript database

This study was designed and performed to investigate the opportunities and benefits of integrating model abstraction techniques into monitoring strategies. The study focused on future applications of modeling to contingency planning and management of potential and actual contaminant release sites wi...

Electrophysiological properties of computational human ventricular cell action potential models under acute ischemic conditions.

PubMed

Dutta, Sara; Mincholé, Ana; Quinn, T Alexander; Rodriguez, Blanca

2017-10-01

Acute myocardial ischemia is one of the main causes of sudden cardiac death. The mechanisms have been investigated primarily in experimental and computational studies using different animal species, but human studies remain scarce. In this study, we assess the ability of four human ventricular action potential models (ten Tusscher and Panfilov, 2006; Grandi et al., 2010; Carro et al., 2011; O'Hara et al., 2011) to simulate key electrophysiological consequences of acute myocardial ischemia in single cell and tissue simulations. We specifically focus on evaluating the effect of extracellular potassium concentration and activation of the ATP-sensitive inward-rectifying potassium current on action potential duration, post-repolarization refractoriness, and conduction velocity, as the most critical factors in determining reentry vulnerability during ischemia. Our results show that the Grandi and O'Hara models required modifications to reproduce expected ischemic changes, specifically modifying the intracellular potassium concentration in the Grandi model and the sodium current in the O'Hara model. With these modifications, the four human ventricular cell AP models analyzed in this study reproduce the electrophysiological alterations in repolarization, refractoriness, and conduction velocity caused by acute myocardial ischemia. However, quantitative differences are observed between the models and overall, the ten Tusscher and modified O'Hara models show closest agreement to experimental data. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

A comparison between ten advanced and soft computing models for groundwater qanat potential assessment in Iran using R and GIS

NASA Astrophysics Data System (ADS)

Naghibi, Seyed Amir; Pourghasemi, Hamid Reza; Abbaspour, Karim

2018-02-01

Considering the unstable condition of water resources in Iran and many other countries in arid and semi-arid regions, groundwater studies are very important. Therefore, the aim of this study is to model groundwater potential by qanat locations as indicators and ten advanced and soft computing models applied to the Beheshtabad Watershed, Iran. Qanat is a man-made underground construction which gathers groundwater from higher altitudes and transmits it to low land areas where it can be used for different purposes. For this purpose, at first, the location of the qanats was detected using extensive field surveys. These qanats were classified into two datasets including training (70%) and validation (30%). Then, 14 influence factors depicting the region's physical, morphological, lithological, and hydrological features were identified to model groundwater potential. Linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), flexible discriminant analysis (FDA), penalized discriminant analysis (PDA), boosted regression tree (BRT), random forest (RF), artificial neural network (ANN), K-nearest neighbor (KNN), multivariate adaptive regression splines (MARS), and support vector machine (SVM) models were applied in R scripts to produce groundwater potential maps. For evaluation of the performance accuracies of the developed models, ROC curve and kappa index were implemented. According to the results, RF had the best performance, followed by SVM and BRT models. Our results showed that qanat locations could be used as a good indicator for groundwater potential. Furthermore, altitude, slope, plan curvature, and profile curvature were found to be the most important influence factors. On the other hand, lithology, land use, and slope aspect were the least significant factors. The methodology in the current study could be used by land use and terrestrial planners and water resource managers to reduce the costs of groundwater resource discovery.

A Physically Based Analytical Model to Describe Effective Excess Charge for Streaming Potential Generation in Water Saturated Porous Media

NASA Astrophysics Data System (ADS)

Guarracino, L.; Jougnot, D.

2018-01-01

Among the different contributions generating self-potential, the streaming potential is of particular interest in hydrogeology for its sensitivity to water flow. Estimating water flux in porous media using streaming potential data relies on our capacity to understand, model, and upscale the electrokinetic coupling at the mineral-solution interface. Different approaches have been proposed to predict streaming potential generation in porous media. One of these approaches is the flux averaging which is based on determining the excess charge which is effectively dragged in the medium by water flow. In this study, we develop a physically based analytical model to predict the effective excess charge in saturated porous media using a flux-averaging approach in a bundle of capillary tubes with a fractal pore size distribution. The proposed model allows the determination of the effective excess charge as a function of pore water ionic concentration and hydrogeological parameters like porosity, permeability, and tortuosity. The new model has been successfully tested against different set of experimental data from the literature. One of the main findings of this study is the mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by several researchers. The proposed model also highlights the link to other lithological properties, and it is able to reproduce the evolution of effective excess charge with electrolyte concentrations.

Transgenic animal models of neurodegeneration based on human genetic studies

PubMed Central

Richie, Christopher T.; Hoffer, Barry J.; Airavaara, Mikko

2011-01-01

The identification of genes linked to neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), Huntington's disease (HD) and Parkinson's disease (PD) has led to the development of animal models for studying mechanism and evaluating potential therapies. None of the transgenic models developed based on disease-associated genes have been able to fully recapitulate the behavioral and pathological features of the corresponding disease. However, there has been enormous progress made in identifying potential therapeutic targets and understanding some of the common mechanisms of neurodegeneration. In this review, we will discuss transgenic animal models for AD, ALS, HD and PD that are based on human genetic studies. All of the diseases discussed have active or complete clinical trials for experimental treatments that benefited from transgenic models of the disease. PMID:20931247

Household water use and conservation models using Monte Carlo techniques

NASA Astrophysics Data System (ADS)

Cahill, R.; Lund, J. R.; DeOreo, B.; Medellín-Azuara, J.

2013-04-01

The increased availability of water end use measurement studies allows for more mechanistic and detailed approaches to estimating household water demand and conservation potential. This study uses, probability distributions for parameters affecting water use estimated from end use studies and randomly sampled in Monte Carlo iterations to simulate water use in a single-family residential neighborhood. This model represents existing conditions and is calibrated to metered data. A two-stage mixed integer optimization model is then developed to estimate the least-cost combination of long- and short-term conservation actions for each household. This least-cost conservation model provides an estimate of the upper bound of reasonable conservation potential for varying pricing and rebate conditions. The models were adapted from previous work in Jordan and are applied to a neighborhood in San Ramon, California in eastern San Francisco Bay Area. The existing conditions model produces seasonal use results very close to the metered data. The least-cost conservation model suggests clothes washer rebates are among most cost-effective rebate programs for indoor uses. Retrofit of faucets and toilets is also cost effective and holds the highest potential for water savings from indoor uses. This mechanistic modeling approach can improve understanding of water demand and estimate cost-effectiveness of water conservation programs.

Solubility of KF and NaCl in water by molecular simulation.

PubMed

Sanz, E; Vega, C

2007-01-07

The solubility of two ionic salts, namely, KF and NaCl, in water has been calculated by Monte Carlo molecular simulation. Water has been modeled with the extended simple point charge model (SPC/E), ions with the Tosi-Fumi model and the interaction between water and ions with the Smith-Dang model. The chemical potential of the solute in the solution has been computed as the derivative of the total free energy with respect to the number of solute particles. The chemical potential of the solute in the solid phase has been calculated by thermodynamic integration to an Einstein crystal. The solubility of the salt has been calculated as the concentration at which the chemical potential of the salt in the solution becomes identical to that of the pure solid. The methodology used in this work has been tested by reproducing the results for the solubility of KF determined previously by Ferrario et al. [J. Chem. Phys. 117, 4947 (2002)]. For KF, it was found that the solubility of the model is only in qualitative agreement with experiment. The variation of the solubility with temperature for KF has also been studied. For NaCl, the potential model used predicts a solubility in good agreement with the experimental value. The same is true for the hydration chemical potential at infinite dilution. Given the practical importance of solutions of NaCl in water the model used in this work, whereas simple, can be of interest for future studies.

Mapping and Analysis of Forest and Land Fire Potential Using Geospatial Technology and Mathematical Modeling

NASA Astrophysics Data System (ADS)

Suliman, M. D. H.; Mahmud, M.; Reba, M. N. M.; S, L. W.

2014-02-01

Forest and land fire can cause negative implications for forest ecosystems, biodiversity, air quality and soil structure. However, the implications involved can be minimized through effective disaster management system. Effective disaster management mechanisms can be developed through appropriate early warning system as well as an efficient delivery system. This study tried to focus on two aspects, namely by mapping the potential of forest fire and land as well as the delivery of information to users through WebGIS application. Geospatial technology and mathematical modeling used in this study for identifying, classifying and mapping the potential area for burning. Mathematical models used is the Analytical Hierarchy Process (AHP), while Geospatial technologies involved include remote sensing, Geographic Information System (GIS) and digital field data collection. The entire Selangor state was chosen as our study area based on a number of cases have been reported over the last two decades. AHP modeling to assess the comparison between the three main criteria of fuel, topography and human factors design. Contributions of experts directly involved in forest fire fighting operations and land comprising officials from the Fire and Rescue Department Malaysia also evaluated in this model. The study found that about 32.83 square kilometers of the total area of Selangor state are the extreme potential for fire. Extreme potential areas identified are in Bestari Jaya and Kuala Langat High Ulu. Continuity of information and terrestrial forest fire potential was displayed in WebGIS applications on the internet. Display information through WebGIS applications is a better approach to help the decision-making process at a high level of confidence and approximate real conditions. Agencies involved in disaster management such as Jawatankuasa Pengurusan Dan Bantuan Bencana (JPBB) of District, State and the National under the National Security Division and the Fire and Rescue Department Malaysia can use the end result of this study in preparation for the land and forest fires in the future.

Application of the Basin Characterization Model to Estimate In-Place Recharge and Runoff Potential in the Basin and Range Carbonate-Rock Aquifer System, White Pine County, Nevada, and Adjacent Areas in Nevada and Utah

USGS Publications Warehouse

Flint, Alan L.; Flint, Lorraine E.

2007-01-01

A regional-scale water-balance model was used to estimate recharge and runoff potential and support U.S. Geological Survey efforts to develop a better understanding of water availability for the Basin and Range carbonate-rock aquifer system (BARCAS) study in White Pine County, Nevada, and adjacent areas in Nevada and Utah. The water-balance model, or Basin Characterization Model (BCM), was used to estimate regional ground-water recharge for the 13 hydrographic areas in the study area. The BCM calculates recharge by using a distributed-parameter, water-balance method and monthly climatic boundary conditions. The BCM requires geographic information system coverages of soil, geology, and topographic information with monthly time-varying climatic conditions of air temperature and precipitation. Potential evapotranspiration, snow accumulation, and snowmelt are distributed spatially with process models. When combined with surface properties of soil-water storage and saturated hydraulic conductivity of bedrock and alluvium, the potential water available for in-place recharge and runoff is calculated using monthly time steps using a grid scale of 866 feet (270 meters). The BCM was used with monthly climatic inputs from 1970 to 2004, and results were averaged to provide an estimate of the average annual recharge for the BARCAS study area. The model estimates 526,000 acre-feet of potential in-place recharge and approximately 398,000 acre-feet of potential runoff. Assuming 15 percent of the runoff becomes recharge, the model estimates average annual ground-water recharge for the BARCAS area of about 586,000 acre-feet. When precipitation is extrapolated to the long-term climatic record (1895-2006), average annual recharge is estimated to be 530,000 acre-feet, or about 9 percent less than the recharge estimated for 1970-2004.

Modeling wind energy potential in a data-poor region: A geographic information systems model for Iraq

NASA Astrophysics Data System (ADS)

Khayyat, Abdulkareem Hawta Abdullah Kak Ahmed

Scope and Method of Study: Most developing countries, including Iraq, have very poor wind data. Existing wind speed measurements of poor quality may therefore be a poor guide to where to look for the best wind resources. The main focus of this study is to examine how effectively a GIS spatial model estimates wind power potential in regions where high-quality wind data are very scarce, such as Iraq. The research used a mixture of monthly and hourly wind data from 39 meteorological stations. The study applied spatial analysis statistics and GIS techniques in modeling wind power potential. The model weighted important human, environmental and geographic factors that impact wind turbine siting, such as roughness length, land use⪉nd cover type, airport locations, road access, transmission lines, slope and aspect. Findings and Conclusions: The GIS model provided estimations for wind speed and wind power density and identified suitable areas for wind power projects. Using a high resolution (30*30m) digital elevation model DEM improved the GIS wind suitability model. The model identified areas suitable for wind farm development on different scales. The model showed that there are many locations available for large-scale wind turbines in the southern part of Iraq. Additionally, there are many places in central and northern parts (Kurdistan Region) for smaller scale wind turbine placement.

Screening and Evaluation of Medications for Treating Cannabis Use Disorder

PubMed Central

Panlilio, Leigh V.; Justinova, Zuzana; Trigo, Jose M.; Le Foll, Bernard

2016-01-01

Cannabis use has been increasingly accepted legally and in public opinion. However, cannabis has the potential to produce adverse physical and mental health effects and can result in cannabis use disorder (CUD) in a substantial percentage of both occasional and daily cannabis users. Many people have difficulty discontinuing use. Therefore, it would be beneficial to develop safe and effective medications for treating CUD. To achieve this, methods have been developed for screening and evaluating potential medications using animal models and controlled experimental protocols in human volunteers. In this chapter we describe: 1) animal models available for assessing the effect of potential medications on specific aspects of CUD; 2) the main findings obtained so far with these animal models; 3) the approaches used to assess potential medications in humans in laboratory experiments and clinical trials; and 4) the effectiveness of several potential pharmacotherapies on the particular aspects of CUD modeled in these human studies. PMID:27055612

Differential roles of two delayed rectifier potassium currents in regulation of ventricular action potential duration and arrhythmia susceptibility.

PubMed

Devenyi, Ryan A; Ortega, Francis A; Groenendaal, Willemijn; Krogh-Madsen, Trine; Christini, David J; Sobie, Eric A

2017-04-01

Arrhythmias result from disruptions to cardiac electrical activity, although the factors that control cellular action potentials are incompletely understood. We combined mathematical modelling with experiments in heart cells from guinea pigs to determine how cellular electrical activity is regulated. A mismatch between modelling predictions and the experimental results allowed us to construct an improved, more predictive mathematical model. The balance between two particular potassium currents dictates how heart cells respond to perturbations and their susceptibility to arrhythmias. Imbalances of ionic currents can destabilize the cardiac action potential and potentially trigger lethal cardiac arrhythmias. In the present study, we combined mathematical modelling with information-rich dynamic clamp experiments to determine the regulation of action potential morphology in guinea pig ventricular myocytes. Parameter sensitivity analysis was used to predict how changes in ionic currents alter action potential duration, and these were tested experimentally using dynamic clamp, a technique that allows for multiple perturbations to be tested in each cell. Surprisingly, we found that a leading mathematical model, developed with traditional approaches, systematically underestimated experimental responses to dynamic clamp perturbations. We then re-parameterized the model using a genetic algorithm, which allowed us to estimate ionic current levels in each of the cells studied. This unbiased model adjustment consistently predicted an increase in the rapid delayed rectifier K + current and a drastic decrease in the slow delayed rectifier K + current, and this prediction was validated experimentally. Subsequent simulations with the adjusted model generated the clinically relevant prediction that the slow delayed rectifier is better able to stabilize the action potential and suppress pro-arrhythmic events than the rapid delayed rectifier. In summary, iterative coupling of simulations and experiments enabled novel insight into how the balance between cardiac K + currents influences ventricular arrhythmia susceptibility. © 2016 The Authors. The Journal of Physiology © 2016 The Physiological Society.

Potential oil spill risk from shipping and the implications for management in the Caribbean Sea.

PubMed

Singh, Asha; Asmath, Hamish; Chee, Candice Leung; Darsan, Junior

2015-04-15

The semi enclosed Caribbean Sea is ranked as having one of the most intense maritime traffic in the world. These maritime activities have led to significant oil pollution. Simultaneously, this sea supports many critical habitats functioning as a Large Marine Ecosystem (LME). While the impacts of oil pollution are recognised, a number of management challenges remain. This study applies spatial modelling to identify critical areas potentially at risk from oil spills in the form of a potential oil spill risk (POSR) model. The model indicates that approximately 83% of the sea could be potentially impacted by oil spills due to shipping. The results from this study collectively support a management framework for minimising ship generated oil pollution in the Caribbean Sea. Among the recommended components are a common policy, surveillance and monitoring controls, standards, monitoring programmes, data collection and greater rates of convention ratifications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Global distributions of ionospheric electric potentials for variable IMF conditions: climatology and near-real time specification

NASA Astrophysics Data System (ADS)

Kartalev, M. D.; Papitashvili, V. O.; Keremidarska, V. I.; Grigorov, K. G.; Romanov, D. K.

2002-03-01

We report a study of global climatology in the ionospheric electric potentials obtained from combining two algorithms used for mapping of high- and middle/low latitude ionospheric electrodynamics: the LiMIE (http://www.sprl.umich.edu/mist/limie.html) and IMEH (http://geospace.nat.bg) models, respectively. In this combination, the latter model utilizes high-latitude field-aligned current distributions provided by LiMIE for various IMF conditions and different seasons (summer, winter, equinox). For the testing purposes, we developed a Web-based interface which provides global distributions of the ionospheric electric potential in near-real time utilizing solar wind observations made onboard the NASA's ACE spacecraft upstream at L1. We discuss the electric potential global modeling over both the northern and southern hemispheres and consider some implications for the solar cycle studies and space weather forecasting.

Proteins QSAR with Markov average electrostatic potentials.

PubMed

González-Díaz, Humberto; Uriarte, Eugenio

2005-11-15

Classic physicochemical and topological indices have been largely used in small molecules QSAR but less in proteins QSAR. In this study, a Markov model is used to calculate, for the first time, average electrostatic potentials xik for an indirect interaction between aminoacids placed at topologic distances k within a given protein backbone. The short-term average stochastic potential xi1 for 53 Arc repressor mutants was used to model the effect of Alanine scanning on thermal stability. The Arc repressor is a model protein of relevance for biochemical studies on bioorganics and medicinal chemistry. A linear discriminant analysis model developed correctly classified 43 out of 53, 81.1% of proteins according to their thermal stability. More specifically, the model classified 20/28, 71.4% of proteins with near wild-type stability and 23/25, 92.0% of proteins with reduced stability. Moreover, predictability in cross-validation procedures was of 81.0%. Expansion of the electrostatic potential in the series xi0, xi1, xi2, and xi3, justified the use of the abrupt truncation approach, being the overall accuracy >70.0% for xi0 but equal for xi1, xi2, and xi3. The xi1 model compared favorably with respect to others based on D-Fire potential, surface area, volume, partition coefficient, and molar refractivity, with less than 77.0% of accuracy [Ramos de Armas, R.; González-Díaz, H.; Molina, R.; Uriarte, E. Protein Struct. Func. Bioinf.2004, 56, 715]. The xi1 model also has more tractable interpretation than others based on Markovian negentropies and stochastic moments. Finally, the model is notably simpler than the two models based on quadratic and linear indices. Both models, reported by Marrero-Ponce et al., use four-to-five time more descriptors. Introduction of average stochastic potentials may be useful for QSAR applications; having xik amenable physical interpretation and being very effective.

Understanding the electrical behavior of the action potential in terms of elementary electrical sources.

PubMed

Rodriguez-Falces, Javier

2015-03-01

A concept of major importance in human electrophysiology studies is the process by which activation of an excitable cell results in a rapid rise and fall of the electrical membrane potential, the so-called action potential. Hodgkin and Huxley proposed a model to explain the ionic mechanisms underlying the formation of action potentials. However, this model is unsuitably complex for teaching purposes. In addition, the Hodgkin and Huxley approach describes the shape of the action potential only in terms of ionic currents, i.e., it is unable to explain the electrical significance of the action potential or describe the electrical field arising from this source using basic concepts of electromagnetic theory. The goal of the present report was to propose a new model to describe the electrical behaviour of the action potential in terms of elementary electrical sources (in particular, dipoles). The efficacy of this model was tested through a closed-book written exam. The proposed model increased the ability of students to appreciate the distributed character of the action potential and also to recognize that this source spreads out along the fiber as function of space. In addition, the new approach allowed students to realize that the amplitude and sign of the extracellular electrical potential arising from the action potential are determined by the spatial derivative of this intracellular source. The proposed model, which incorporates intuitive graphical representations, has improved students' understanding of the electrical potentials generated by bioelectrical sources and has heightened their interest in bioelectricity. Copyright © 2015 The American Physiological Society.

Evaluation of genotoxic potential of avarol, avarone, and its methoxy and methylamino derivatives in prokaryotic and eukaryotic test models.

PubMed

Kolarević, Stoimir; Milovanović, Dragana; Kračun-Kolarević, Margareta; Kostić, Jovana; Sunjog, Karolina; Martinović, Rajko; Đorđević, Jelena; Novaković, Irena; Sladić, Dušan; Vuković-Gačić, Branka

2018-01-04

In this study, mutagenic and genotoxic potential of anti-tumor compounds avarol, avarone, and its derivatives 3'-methoxyavarone, 4'-(methylamino)avarone and 3'-(methylamino)avarone was evaluated and compared to cytostatics commonly used in chemotherapy (5-fluorouracil, etoposid, and cisplatin). Mutagenic potential of selected hydroquinone and quinones was assessed in prokaryotic model by the SOS/umuC assay in Salmonella typhimurium TA1535/pSK1002. Genotoxic potential was also assessed in eukaryotic models using comet assay in human fetal lung cell line (MRC-5), human adenocarcinoma epithelial cell line (A549), and in human peripheral blood cells (HPBC). The results indicated that avarol and avarone do not exert mutagenic/genotoxic potential. Among the studied avarone derivatives, mutagenic potential was detected by SOS/umuC test for 3'-(methylamino)avarone, but only after metabolic activation. The results of comet assay indicated that 3'-methoxyavarone and 3'-(methylamino)avarone have a significant impact on the level of DNA damage in the MRC-5 cell line. Genotoxic potential was not observed in A549 cells or HPBC probably due to a different uptake rate for the compounds and lower in metabolism rate within these cells.

Virtual Models of Long-Term Care

ERIC Educational Resources Information Center

Phenice, Lillian A.; Griffore, Robert J.

2012-01-01

Nursing homes, assisted living facilities and home-care organizations, use web sites to describe their services to potential consumers. This virtual ethnographic study developed models representing how potential consumers may understand this information using data from web sites of 69 long-term-care providers. The content of long-term-care web…

Behavior of Holographic Ricci Dark Energy in Scalar Gauss-Bonnet Gravity for Different Choices of the Scale Factor

NASA Astrophysics Data System (ADS)

Pasqua, Antonio; Chattopadhyay, Surajit; Khurshudyan, Martiros; Aly, Ayman A.

2014-09-01

In this paper, we studied the cosmological application of the interacting Ricci Dark Energy (RDE) model in the framework of the scalar Gauss-Bonnet modified gravity model. We studied the properties of the reconstructed potential , the Strong Energy Condition (SEC), the Weak Energy Condition (WEC) and the deceleration parameter q for three different models of scale factor, i.e. the emergent, the intermediate and the logamediate one. We obtained that , for the emergent scenario, has a decreasing behavior, while, for the logamediate scenario, the potential start with an increasing behavior then, for later times, it shows a slowly decreasing behavior. Finally, for the intermediate scenario, the potential has an initial increasing behavior, then for a time of t≈1.2, it starts to decrease. We also found that both SEC and WEC are violated for all the three scale factors considered. Finally, studying the plots of q, we derived that an accelerated universe can be achieved for the three models of scale factor considered.

Shear viscosity of binary mixtures: The Gay-Berne potential

NASA Astrophysics Data System (ADS)

Khordad, R.

2012-05-01

The Gay-Berne (GB) potential model is an interesting and useful model to study the real systems. Using the potential model, we intend to examine the thermodynamical properties of some anisotropic binary mixtures in two different phases, liquid and gas. For this purpose, we apply the integral equation method and solve numerically the Percus-Yevick (PY) integral equation. Then, we obtain the expansion coefficients of correlation functions to calculate the thermodynamical properties. Finally, we compare our results with the available experimental data [e.g., HFC-125 + propane, R-125/143a, methanol + toluene, benzene + methanol, cyclohexane + ethanol, benzene + ethanol, carbon tetrachloride + ethyl acetate, and methanol + ethanol]. The results show that the GB potential model is capable for predicting the thermodynamical properties of binary mixtures with acceptable accuracy.

A predictive model of iron oxide nanoparticles flocculation tuning Z-potential in aqueous environment for biological application

NASA Astrophysics Data System (ADS)

Baldassarre, Francesca; Cacciola, Matteo; Ciccarella, Giuseppe

2015-09-01

Iron oxide nanoparticles are the most used magnetic nanoparticles in biomedical and biotechnological field because of their nontoxicity respect to the other metals. The investigation of iron oxide nanoparticles behaviour in aqueous environment is important for the biological applications in terms of polydispersity, mobility, cellular uptake and response to the external magnetic field. Iron oxide nanoparticles tend to agglomerate in aqueous solutions; thus, the stabilisation and aggregation could be modified tuning the colloids physical proprieties. Surfactants or polymers are often used to avoid agglomeration and increase nanoparticles stability. We have modelled and synthesised iron oxide nanoparticles through a co-precipitation method, in order to study the influence of surfactants and coatings on the aggregation state. Thus, we compared experimental results to simulation model data. The change of Z-potential and the clusters size were determined by Dynamic Light Scattering. We developed a suitable numerical model to predict the flocculation. The effects of Volume Mean Diameter and fractal dimension were explored in the model. We obtained the trend of these parameters tuning the Z-potential. These curves matched with the experimental results and confirmed the goodness of the model. Subsequently, we exploited the model to study the influence of nanoparticles aggregation and stability by Z-potential and external magnetic field. The highest Z-potential is reached up with a small external magnetic influence, a small aggregation and then a high suspension stability. Thus, we obtained a predictive model of Iron oxide nanoparticles flocculation that will be exploited for the nanoparticles engineering and experimental setup of bioassays.

Advances in visual representation of molecular potentials.

PubMed

Du, Qi-Shi; Huang, Ri-Bo; Chou, Kuo-Chen

2010-06-01

The recent advances in visual representations of molecular properties in 3D space are summarized, and their applications in molecular modeling study and rational drug design are introduced. The visual representation methods provide us with detailed insights into protein-ligand interactions, and hence can play a major role in elucidating the structure or reactivity of a biomolecular system. Three newly developed computation and visualization methods for studying the physical and chemical properties of molecules are introduced, including their electrostatic potential, lipophilicity potential and excess chemical potential. The newest application examples of visual representations in structure-based rational drug are presented. The 3D electrostatic potentials, calculated using the empirical method (EM-ESP), in which the classical Coulomb equation and traditional atomic partial changes are discarded, are highly consistent with the results by the higher level quantum chemical method. The 3D lipophilicity potentials, computed by the heuristic molecular lipophilicity potential method based on the principles of quantum mechanics and statistical mechanics, are more accurate and reliable than those by using the traditional empirical methods. The 3D excess chemical potentials, derived by the reference interaction site model-hypernetted chain theory, provide a new tool for computational chemistry and molecular modeling. For structure-based drug design, the visual representations of molecular properties will play a significant role in practical applications. It is anticipated that the new advances in computational chemistry will stimulate the development of molecular modeling methods, further enriching the visual representation techniques for rational drug design, as well as other relevant fields in life science.

Fishing for causes and cures of motor neuron disorders

PubMed Central

Patten, Shunmoogum A.; Armstrong, Gary A. B.; Lissouba, Alexandra; Kabashi, Edor; Parker, J. Alex; Drapeau, Pierre

2014-01-01

Motor neuron disorders (MNDs) are a clinically heterogeneous group of neurological diseases characterized by progressive degeneration of motor neurons, and share some common pathological pathways. Despite remarkable advances in our understanding of these diseases, no curative treatment for MNDs exists. To better understand the pathogenesis of MNDs and to help develop new treatments, the establishment of animal models that can be studied efficiently and thoroughly is paramount. The zebrafish (Danio rerio) is increasingly becoming a valuable model for studying human diseases and in screening for potential therapeutics. In this Review, we highlight recent progress in using zebrafish to study the pathology of the most common MNDs: spinal muscular atrophy (SMA), amyotrophic lateral sclerosis (ALS) and hereditary spastic paraplegia (HSP). These studies indicate the power of zebrafish as a model to study the consequences of disease-related genes, because zebrafish homologues of human genes have conserved functions with respect to the aetiology of MNDs. Zebrafish also complement other animal models for the study of pathological mechanisms of MNDs and are particularly advantageous for the screening of compounds with therapeutic potential. We present an overview of their potential usefulness in MND drug discovery, which is just beginning and holds much promise for future therapeutic development. PMID:24973750

Development of simple-to-apply biogas kinetic models for the co-digestion of food waste and maize husk.

PubMed

Owamah, H I; Izinyon, O C

2015-10-01

Biogas kinetic models are often used to characterize substrate degradation and prediction of biogas production potential. Most of these existing models are however difficult to apply to substrates they were not developed for since their applications are usually substrate specific. Biodegradability kinetic (BIK) model and maximum biogas production potential and stability assessment (MBPPSA) model were therefore developed in this study for better understanding of the anaerobic co-digestion of food waste and maize husk for biogas production. Biodegradability constant (k) was estimated as 0.11 d(-1) using the BIK model. The results of maximum biogas production potential (A) obtained using the MBPPSA model were found to be in good correspondence, both in value and trend with the results obtained using the popular but complex modified Gompertz model for digesters B-1, B-2, B-3, B-4, and B-5. The (If) value of MBPPSA model also showed that digesters B-3, B-4, and B-5 were stable, while B-1 and B-2 were inhibited/unstable. Similar stability observation was also obtained using the modified Gompertz model. The MBPPSA model can therefore be used as an alternative model for anaerobic digestion feasibility studies and plant design. Copyright © 2015 Elsevier Ltd. All rights reserved.

Contribution of the Axon Initial Segment to Action Potentials Recorded Extracellularly.

PubMed

Teleńczuk, Maria; Brette, Romain; Destexhe, Alain; Teleńczuk, Bartosz

2018-01-01

Action potentials (APs) are electric phenomena that are recorded both intracellularly and extracellularly. APs are usually initiated in the short segment of the axon called the axon initial segment (AIS). It was recently proposed that at the onset of an AP the soma and the AIS form a dipole. We study the extracellular signature [the extracellular AP (EAP)] generated by such a dipole. First, we demonstrate the formation of the dipole and its extracellular signature in detailed morphological models of a reconstructed pyramidal neuron. Then, we study the EAP waveform and its spatial dependence in models with axonal AP initiation and contrast it with the EAP obtained in models with somatic AP initiation. We show that in the models with axonal AP initiation the dipole forms between somatodendritic compartments and the AIS, and not between soma and dendrites as in the classical models. The soma-dendrites dipole is present only in models with somatic AP initiation. Our study has consequences for interpreting extracellular recordings of single-neuron activity and determining electrophysiological neuron types, but also for better understanding the origins of the high-frequency macroscopic extracellular potentials recorded in the brain.

Identifying traits for genotypic adaptation using crop models.

PubMed

Ramirez-Villegas, Julian; Watson, James; Challinor, Andrew J

2015-06-01

Genotypic adaptation involves the incorporation of novel traits in crop varieties so as to enhance food productivity and stability and is expected to be one of the most important adaptation strategies to future climate change. Simulation modelling can provide the basis for evaluating the biophysical potential of crop traits for genotypic adaptation. This review focuses on the use of models for assessing the potential benefits of genotypic adaptation as a response strategy to projected climate change impacts. Some key crop responses to the environment, as well as the role of models and model ensembles for assessing impacts and adaptation, are first reviewed. Next, the review describes crop-climate models can help focus the development of future-adapted crop germplasm in breeding programmes. While recently published modelling studies have demonstrated the potential of genotypic adaptation strategies and ideotype design, it is argued that, for model-based studies of genotypic adaptation to be used in crop breeding, it is critical that modelled traits are better grounded in genetic and physiological knowledge. To this aim, two main goals need to be pursued in future studies: (i) a better understanding of plant processes that limit productivity under future climate change; and (ii) a coupling between genetic and crop growth models-perhaps at the expense of the number of traits analysed. Importantly, the latter may imply additional complexity (and likely uncertainty) in crop modelling studies. Hence, appropriately constraining processes and parameters in models and a shift from simply quantifying uncertainty to actually quantifying robustness towards modelling choices are two key aspects that need to be included into future crop model-based analyses of genotypic adaptation. © The Author 2015. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Calculating solar photovoltaic potential on residential rooftops in Kailua Kona, Hawaii

NASA Astrophysics Data System (ADS)

Carl, Caroline

As carbon based fossil fuels become increasingly scarce, renewable energy sources are coming to the forefront of policy discussions around the globe. As a result, the State of Hawaii has implemented aggressive goals to achieve energy independence by 2030. Renewable electricity generation using solar photovoltaic technologies plays an important role in these efforts. This study utilizes geographic information systems (GIS) and Light Detection and Ranging (LiDAR) data with statistical analysis to identify how much solar photovoltaic potential exists for residential rooftops in the town of Kailua Kona on Hawaii Island. This study helps to quantify the magnitude of possible solar photovoltaic (PV) potential for Solar World SW260 monocrystalline panels on residential rooftops within the study area. Three main areas were addressed in the execution of this research: (1) modeling solar radiation, (2) estimating available rooftop area, and (3) calculating PV potential from incoming solar radiation. High resolution LiDAR data and Esri's solar modeling tools and were utilized to calculate incoming solar radiation on a sample set of digitized rooftops. Photovoltaic potential for the sample set was then calculated with the equations developed by Suri et al. (2005). Sample set rooftops were analyzed using a statistical model to identify the correlation between rooftop area and lot size. Least squares multiple linear regression analysis was performed to identify the influence of slope, elevation, rooftop area, and lot size on the modeled PV potential values. The equations built from these statistical analyses of the sample set were applied to the entire study region to calculate total rooftop area and PV potential. The total study area statistical analysis findings estimate photovoltaic electric energy generation potential for rooftops is approximately 190,000,000 kWh annually. This is approximately 17 percent of the total electricity the utility provided to the entire island in 2012. Based on these findings, full rooftop PV installations on the 4,460 study area homes could provide enough energy to power over 31,000 homes annually. The methods developed here suggest a means to calculate rooftop area and PV potential in a region with limited available data. The use of LiDAR point data offers a major opportunity for future research in both automating rooftop inventories and calculating incoming solar radiation and PV potential for homeowners.

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

Water pollution and income relationships: A seemingly unrelated partially linear analysis

NASA Astrophysics Data System (ADS)

Pandit, Mahesh; Paudel, Krishna P.

2016-10-01

We used a seemingly unrelated partially linear model (SUPLM) to address a potential correlation between pollutants (nitrogen, phosphorous, dissolved oxygen and mercury) in an environmental Kuznets curve study. Simulation studies show that the SUPLM performs well to address potential correlation among pollutants. We find that the relationship between income and pollution follows an inverted U-shaped curve for nitrogen and dissolved oxygen and a cubic shaped curve for mercury. Model specification tests suggest that a SUPLM is better specified compared to a parametric model to study the income-pollution relationship. Results suggest a need to continually assess policy effectiveness of pollution reduction as income increases.

On the Hydrologic Adjustment of Climate-Model Projections: The Potential Pitfall of Potential Evapotranspiration

USGS Publications Warehouse

Milly, Paul C.D.; Dunne, Krista A.

2011-01-01

Hydrologic models often are applied to adjust projections of hydroclimatic change that come from climate models. Such adjustment includes climate-bias correction, spatial refinement ("downscaling"), and consideration of the roles of hydrologic processes that were neglected in the climate model. Described herein is a quantitative analysis of the effects of hydrologic adjustment on the projections of runoff change associated with projected twenty-first-century climate change. In a case study including three climate models and 10 river basins in the contiguous United States, the authors find that relative (i.e., fractional or percentage) runoff change computed with hydrologic adjustment more often than not was less positive (or, equivalently, more negative) than what was projected by the climate models. The dominant contributor to this decrease in runoff was a ubiquitous change in runoff (median -11%) caused by the hydrologic model’s apparent amplification of the climate-model-implied growth in potential evapotranspiration. Analysis suggests that the hydrologic model, on the basis of the empirical, temperature-based modified Jensen–Haise formula, calculates a change in potential evapotranspiration that is typically 3 times the change implied by the climate models, which explicitly track surface energy budgets. In comparison with the amplification of potential evapotranspiration, central tendencies of other contributions from hydrologic adjustment (spatial refinement, climate-bias adjustment, and process refinement) were relatively small. The authors’ findings highlight the need for caution when projecting changes in potential evapotranspiration for use in hydrologic models or drought indices to evaluate climate-change impacts on water.

A vector space model approach to identify genetically related diseases.

PubMed

Sarkar, Indra Neil

2012-01-01

The relationship between diseases and their causative genes can be complex, especially in the case of polygenic diseases. Further exacerbating the challenges in their study is that many genes may be causally related to multiple diseases. This study explored the relationship between diseases through the adaptation of an approach pioneered in the context of information retrieval: vector space models. A vector space model approach was developed that bridges gene disease knowledge inferred across three knowledge bases: Online Mendelian Inheritance in Man, GenBank, and Medline. The approach was then used to identify potentially related diseases for two target diseases: Alzheimer disease and Prader-Willi Syndrome. In the case of both Alzheimer Disease and Prader-Willi Syndrome, a set of plausible diseases were identified that may warrant further exploration. This study furthers seminal work by Swanson, et al. that demonstrated the potential for mining literature for putative correlations. Using a vector space modeling approach, information from both biomedical literature and genomic resources (like GenBank) can be combined towards identification of putative correlations of interest. To this end, the relevance of the predicted diseases of interest in this study using the vector space modeling approach were validated based on supporting literature. The results of this study suggest that a vector space model approach may be a useful means to identify potential relationships between complex diseases, and thereby enable the coordination of gene-based findings across multiple complex diseases.

Spatial analysis of plague in California: niche modeling predictions of the current distribution and potential response to climate change

PubMed Central

Holt, Ashley C; Salkeld, Daniel J; Fritz, Curtis L; Tucker, James R; Gong, Peng

2009-01-01

Background Plague, caused by the bacterium Yersinia pestis, is a public and wildlife health concern in California and the western United States. This study explores the spatial characteristics of positive plague samples in California and tests Maxent, a machine-learning method that can be used to develop niche-based models from presence-only data, for mapping the potential distribution of plague foci. Maxent models were constructed using geocoded seroprevalence data from surveillance of California ground squirrels (Spermophilus beecheyi) as case points and Worldclim bioclimatic data as predictor variables, and compared and validated using area under the receiver operating curve (AUC) statistics. Additionally, model results were compared to locations of positive and negative coyote (Canis latrans) samples, in order to determine the correlation between Maxent model predictions and areas of plague risk as determined via wild carnivore surveillance. Results Models of plague activity in California ground squirrels, based on recent climate conditions, accurately identified case locations (AUC of 0.913 to 0.948) and were significantly correlated with coyote samples. The final models were used to identify potential plague risk areas based on an ensemble of six future climate scenarios. These models suggest that by 2050, climate conditions may reduce plague risk in the southern parts of California and increase risk along the northern coast and Sierras. Conclusion Because different modeling approaches can yield substantially different results, care should be taken when interpreting future model predictions. Nonetheless, niche modeling can be a useful tool for exploring and mapping the potential response of plague activity to climate change. The final models in this study were used to identify potential plague risk areas based on an ensemble of six future climate scenarios, which can help public managers decide where to allocate surveillance resources. In addition, Maxent model results were significantly correlated with coyote samples, indicating that carnivore surveillance programs will continue to be important for tracking the response of plague to future climate conditions. PMID:19558717

Towards an Ethological Animal Model of Depression? A Study on Horses

PubMed Central

Fureix, Carole; Jego, Patrick; Henry, Séverine; Lansade, Léa; Hausberger, Martine

2012-01-01

Background Recent reviews question current animal models of depression and emphasise the need for ethological models of mood disorders based on animals living under natural conditions. Domestic horses encounter chronic stress, including potential stress at work, which can induce behavioural disorders (e.g. “apathy”). Our pioneering study evaluated the potential of domestic horses in their usual environment to become an ethological model of depression by testing this models’ face validity (i.e. behavioural similarity with descriptions of human depressive states). Methodology/Principal Findings We observed the spontaneous behaviour of 59 working horses in their home environment, focusing on immobility bouts of apparent unresponsiveness when horses displayed an atypical posture (termed withdrawn hereafter), evaluated their responsiveness to their environment and their anxiety levels, and analysed cortisol levels. Twenty-four percent of the horses presented the withdrawn posture, also characterized by gaze, head and ears fixity, a profile that suggests a spontaneous expression of “behavioural despair”. When compared with control “non-withdrawn” horses from the same stable, withdrawn horses appeared more indifferent to environmental stimuli in their home environment but reacted more emotionally in more challenging situations. They exhibited lower plasma cortisol levels. Withdrawn horses all belonged to the same breed and females were over-represented. Conclusions/Significance Horse might be a useful potential candidate for an animal model of depression. Face validity of this model appeared good, and potential genetic input and high prevalence of these disorders in females add to the convergence. At a time when current animal models of depression are questioned and the need for novel models is expressed, this study suggests that novel models and biomarkers could emerge from ethological approaches in home environments. PMID:22761752

Fuel models and fire potential from satellite and surface observations

USGS Publications Warehouse

Burgan, R.E.; Klaver, R.W.; Klarer, J.M.

1998-01-01

A national 1-km resolution fire danger fuel model map was derived through use of previously mapped land cover classes and ecoregions, and extensive ground sample data, then refined through review by fire managers familiar with various portions of the U.S. The fuel model map will be used in the next generation fire danger rating system for the U.S., but it also made possible immediate development of a satellite and ground based fire potential index map. The inputs and algorithm of the fire potential index are presented, along with a case study of the correlation between the fire potential index and fire occurrence in California and Nevada. Application of the fire potential index in the Mediterranean ecosystems of Spain, Chile, and Mexico will be tested.

Potential formulation of sleep dynamics

NASA Astrophysics Data System (ADS)

Phillips, A. J. K.; Robinson, P. A.

2009-02-01

A physiologically based model of the mechanisms that control the human sleep-wake cycle is formulated in terms of an equivalent nonconservative mechanical potential. The potential is analytically simplified and reduced to a quartic two-well potential, matching the bifurcation structure of the original model. This yields a dynamics-based model that is analytically simpler and has fewer parameters than the original model, allowing easier fitting to experimental data. This model is first demonstrated to semiquantitatively match the dynamics of the physiologically based model from which it is derived, and is then fitted directly to a set of experimentally derived criteria. These criteria place rigorous constraints on the parameter values, and within these constraints the model is shown to reproduce normal sleep-wake dynamics and recovery from sleep deprivation. Furthermore, this approach enables insights into the dynamics by direct analogies to phenomena in well studied mechanical systems. These include the relation between friction in the mechanical system and the timecourse of neurotransmitter action, and the possible relation between stochastic resonance and napping behavior. The model derived here also serves as a platform for future investigations of sleep-wake phenomena from a dynamical perspective.

Scattering of particles in the presence of harmonic confinement perturbed by a complex absorbing potential

NASA Astrophysics Data System (ADS)

Maghari, A.; Kermani, M. M.

2018-04-01

A system of two interacting atoms confined in 1D harmonic trap and perturbed by an absorbing boundary potential is studied using the Lippmann-Schwinger formalism. The atom-atom interaction potential was considered as a nonlocal separable model. The perturbed absorbing boundary potential was also assumed in the form of Scarf II complex absorbing potential. The model is used for the study of 1D optical lattices that support the trapping of a pair atom within a unit cell. Moreover, it allows to describe the scattering particles in a tight smooth trapping surface and to analyze the bound and resonance states. The analytical expressions for wavefunctions and transition matrix as well as the absorption probabilities are calculated. A demonstration of how the complex absorbing potential affecting the bound states and resonances of particles confined in a harmonic trap is described.

Global models for synthetic fuels planning

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

Lamontagne, J.

1983-10-01

This study was performed to identify the set of existing global models with the best potential for use in the US Synthetic Fuels Corporation's strategic planning process, and to recommend the most appropriate model. The study was limited to global models with representations that encompass time horizons beyond the year 2000, multiple fuel forms, and significant regional detail. Potential accessibility to the Synthetic Fuels Corporation and adequate documentation were also required. Four existing models (LORENDAS, WIM, IIASA, and IEA/ORAU) were judged to be the best candidates for the SFC's use at this time; none of the models appears to bemore » ideal for the SFC's purposes. On the basis of currently available information, the most promising short-term option open to the SFC is the use of LORENDAS, with careful attention to definition of alternative energy demand scenarios. Longer-term options which deserve further study are coupling LORENDAS with an explicit model of energy demand, and modification of the IEA/ORAU model to include finer time-period definition and additional technological detail.« less

Chameleon dark energy models with characteristic signatures

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

Gannouji, Radouane; Department of Physics, Faculty of Science, Tokyo University of Science, 1-3, Kagurazaka, Shinjuku-ku, Tokyo 162-8601; Moraes, Bruno

2010-12-15

In chameleon dark energy models, local gravity constraints tend to rule out parameters in which observable cosmological signatures can be found. We study viable chameleon potentials consistent with a number of recent observational and experimental bounds. A novel chameleon field potential, motivated by f(R) gravity, is constructed where observable cosmological signatures are present both at the background evolution and in the growth rate of the perturbations. We study the evolution of matter density perturbations on low redshifts for this potential and show that the growth index today {gamma}{sub 0} can have significant dispersion on scales relevant for large scale structures.more » The values of {gamma}{sub 0} can be even smaller than 0.2 with large variations of {gamma} on very low redshifts for the model parameters constrained by local gravity tests. This gives a possibility to clearly distinguish these chameleon models from the {Lambda}-cold-dark-matter ({Lambda}CDM) model in future high-precision observations.« less

A perturbation analysis of a mechanical model for stable spatial patterning in embryology

NASA Astrophysics Data System (ADS)

Bentil, D. E.; Murray, J. D.

1992-12-01

We investigate a mechanical cell-traction mechanism that generates stationary spatial patterns. A linear analysis highlights the model's potential for these heterogeneous solutions. We use multiple-scale perturbation techniques to study the evolution of these solutions and compare our solutions with numerical simulations of the model system. We discuss some potential biological applications among which are the formation of ridge patterns, dermatoglyphs, and wound healing.

Perturbed generalized multicritical one-matrix models

NASA Astrophysics Data System (ADS)

Ambjørn, J.; Chekhov, L.; Makeenko, Y.

2018-03-01

We study perturbations around the generalized Kazakov multicritical one-matrix model. The multicritical matrix model has a potential where the coefficients of zn only fall off as a power 1 /n s + 1. This implies that the potential and its derivatives have a cut along the real axis, leading to technical problems when one performs perturbations away from the generalized Kazakov model. Nevertheless it is possible to relate the perturbed partition function to the tau-function of a KdV hierarchy and solve the model by a genus expansion in the double scaling limit.

QSPR models for half-wave reduction potential of steroids: a comparative study between feature selection and feature extraction from subsets of or entire set of descriptors.

PubMed

Hemmateenejad, Bahram; Yazdani, Mahdieh

2009-02-16

Steroids are widely distributed in nature and are found in plants, animals, and fungi in abundance. A data set consists of a diverse set of steroids have been used to develop quantitative structure-electrochemistry relationship (QSER) models for their half-wave reduction potential. Modeling was established by means of multiple linear regression (MLR) and principle component regression (PCR) analyses. In MLR analysis, the QSPR models were constructed by first grouping descriptors and then stepwise selection of variables from each group (MLR1) and stepwise selection of predictor variables from the pool of all calculated descriptors (MLR2). Similar procedure was used in PCR analysis so that the principal components (or features) were extracted from different group of descriptors (PCR1) and from entire set of descriptors (PCR2). The resulted models were evaluated using cross-validation, chance correlation, application to prediction reduction potential of some test samples and accessing applicability domain. Both MLR approaches represented accurate results however the QSPR model found by MLR1 was statistically more significant. PCR1 approach produced a model as accurate as MLR approaches whereas less accurate results were obtained by PCR2 approach. In overall, the correlation coefficients of cross-validation and prediction of the QSPR models resulted from MLR1, MLR2 and PCR1 approaches were higher than 90%, which show the high ability of the models to predict reduction potential of the studied steroids.

A new theoretical model for transmembrane potential and ion currents induced in a spherical cell under low frequency electromagnetic field.

PubMed

Zheng, Yu; Gao, Yang; Chen, Ruijuan; Wang, Huiquan; Dong, Lei; Dou, Junrong

2016-10-01

Time-varying electromagnetic fields (EMF) can induce some physiological effects in neuronal tissues, which have been explored in many applications such as transcranial magnetic stimulation. Although transmembrane potentials and induced currents have already been the subjects of many theoretical studies, most previous works about this topic are mainly completed by utilizing Maxwell's equations, often by solving a Laplace equation. In previous studies, cells were often considered to be three-compartment models with different electroconductivities in different regions (three compartments are often intracellular regions, membrane, and extracellular regions). However, models like that did not take dynamic ion channels into consideration. Therefore, one cannot obtain concrete ionic current changes such as potassium current change or sodium current change by these models. The aim of the present work is to present a new and more detailed model for calculating transmembrane potentials and ionic currents induced by time-varying EMF. Equations used in the present paper originate from Nernst-Plank equations, which are ionic current-related equations. The main work is to calculate ionic current changes induced by EMF exposure, and then transmembrane potential changes are calculated with Hodgkin-Huxley model. Bioelectromagnetics. 37:481-492, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Adsorption of metal atoms at a buckled graphene grain boundary using model potentials

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

Helgee, Edit E.; Isacsson, Andreas

Two model potentials have been evaluated with regard to their ability to model adsorption of single metal atoms on a buckled graphene grain boundary. One of the potentials is a Lennard-Jones potential parametrized for gold and carbon, while the other is a bond-order potential parametrized for the interaction between carbon and platinum. Metals are expected to adsorb more strongly to grain boundaries than to pristine graphene due to their enhanced adsorption at point defects resembling those that constitute the grain boundary. Of the two potentials considered here, only the bond-order potential reproduces this behavior and predicts the energy of themore » adsorbate to be about 0.8 eV lower at the grain boundary than on pristine graphene. The Lennard-Jones potential predicts no significant difference in energy between adsorbates at the boundary and on pristine graphene. These results indicate that the Lennard-Jones potential is not suitable for studies of metal adsorption on defects in graphene, and that bond-order potentials are preferable.« less

Dynamical systems analysis of phantom dark energy models

NASA Astrophysics Data System (ADS)

Roy, Nandan; Bhadra, Nivedita

2018-06-01

In this work, we study the dynamical systems analysis of phantom dark energy models considering five different potentials. From the analysis of these five potentials we have found a general parametrization of the scalar field potentials which is obeyed by many other potentials. Our investigation shows that there is only one fixed point which could be the beginning of the universe. However, future destiny has many possible options. A detailed numerical analysis of the system has been presented. The observed late time behaviour in this analysis shows very good agreement with the recent observations.

A minimal model of an autonomous thermal motor

NASA Astrophysics Data System (ADS)

Fogedby, Hans C.; Imparato, Alberto

2017-09-01

We consider a model of a Brownian motor composed of two coupled overdamped degrees of freedom moving in periodic potentials and driven by two heat reservoirs. This model exhibits a spontaneous breaking of symmetry and gives rise to directed transport in the case of a non-vanishing interparticle interaction strength. For strong coupling between the particles we derive an expression for the propagation velocity valid for arbitrary periodic potentials. In the limit of strong coupling the model is equivalent to the Büttiker-Landauer model for a single particle diffusing in an environment with position-dependent temperature. By using numerical calculations of the Fokker-Planck equation and simulations of the Langevin equations we study the model for arbitrary coupling, retrieving many features of the strong-coupling limit. In particular, directed transport emerges even for symmetric potentials. For distinct heat reservoirs the heat currents are well-defined quantities allowing a study of the motor efficiency. We show that the optimal working regime occurs for moderate coupling. Finally, we introduce a model with discrete phase space which captures the essential features of the continuous model, can be solved in the limit of weak coupling, and exhibits a larger efficiency than the continuous counterpart.

Assessment of the in vitro dermal irritation potential of cerium, silver, and titanium nanoparticles in a human skin equivalent model

EPA Science Inventory

AbstractDermal exposure to metals may res·ult in irritant contact dermatitis. This study examined the potential of metal nanoparticles to elicit irritant contact dermatitis in a human skin equivalent model (HSEM) derived from epidermal keratinocytes. These cultured cells form a m...

Virtual Transgenics: Using a Molecular Biology Simulation to Impact Student Academic Achievement and Attitudes

ERIC Educational Resources Information Center

Shegog, Ross; Lazarus, Melanie M.; Murray, Nancy G.; Diamond, Pamela M.; Sessions, Nathalie; Zsigmond, Eva

2012-01-01

The transgenic mouse model is useful for studying the causes and potential cures for human genetic diseases. Exposing high school biology students to laboratory experience in developing transgenic animal models is logistically prohibitive. Computer-based simulation, however, offers this potential in addition to advantages of fidelity and reach.…

On the hydrologic adjustment of climate-model projections: The potential pitfall of potential evapotranspiration

USGS Publications Warehouse

Milly, P.C.D.; Dunne, K.A.

2011-01-01

Hydrologic models often are applied to adjust projections of hydroclimatic change that come from climate models. Such adjustment includes climate-bias correction, spatial refinement ("downscaling"), and consideration of the roles of hydrologic processes that were neglected in the climate model. Described herein is a quantitative analysis of the effects of hydrologic adjustment on the projections of runoff change associated with projected twenty-first-century climate change. In a case study including three climate models and 10 river basins in the contiguous United States, the authors find that relative (i.e., fractional or percentage) runoff change computed with hydrologic adjustment more often than not was less positive (or, equivalently, more negative) than what was projected by the climate models. The dominant contributor to this decrease in runoff was a ubiquitous change in runoff (median 211%) caused by the hydrologic model's apparent amplification of the climate-model-implied growth in potential evapotranspiration. Analysis suggests that the hydrologic model, on the basis of the empirical, temperature-based modified Jensen-Haise formula, calculates a change in potential evapotranspiration that is typically 3 times the change implied by the climate models, which explicitly track surface energy budgets. In comparison with the amplification of potential evapotranspiration, central tendencies of other contributions from hydrologic adjustment (spatial refinement, climate-bias adjustment, and process refinement) were relatively small. The authors' findings highlight the need for caution when projecting changes in potential evapotranspiration for use in hydrologic models or drought indices to evaluate climatechange impacts on water. Copyright ?? 2011, Paper 15-001; 35,952 words, 3 Figures, 0 Animations, 1 Tables.

Electrostatic potential in a bent piezoelectric nanowire with consideration of size-dependent piezoelectricity and semiconducting characterization.

PubMed

Wang, K F; Wang, B L

2018-06-22

Determining the electric potential in a bent piezoelectric nanowire (NW) is a fundamental issue of nanogenerators and nanopiezotronics. The combined influence of the flexoelectric effect, the semiconducting performance and the angle of atomic force microscope (AFM) tip has never been studied previously and will be investigated in this paper. The exact solution for the electric potential of a bent piezoelectric semiconductor NW is derived. The electric potential of the present model with consideration of flexoelectric effect varies along the length of the NW and is different from that of the classical piezoelectric model. Flexoelectric effect enhances but the semiconducting performance reduces the electric potential of the NW. In addition, it is found that if the angle of the AFM tip reaches 30°, the error of the electric potential obtained from the model ignored the effect of the angle of the AFM tip is almost 16%, which is unacceptable.

Electrostatic potential in a bent piezoelectric nanowire with consideration of size-dependent piezoelectricity and semiconducting characterization

NASA Astrophysics Data System (ADS)

Wang, K. F.; Wang, B. L.

2018-06-01

Determining the electric potential in a bent piezoelectric nanowire (NW) is a fundamental issue of nanogenerators and nanopiezotronics. The combined influence of the flexoelectric effect, the semiconducting performance and the angle of atomic force microscope (AFM) tip has never been studied previously and will be investigated in this paper. The exact solution for the electric potential of a bent piezoelectric semiconductor NW is derived. The electric potential of the present model with consideration of flexoelectric effect varies along the length of the NW and is different from that of the classical piezoelectric model. Flexoelectric effect enhances but the semiconducting performance reduces the electric potential of the NW. In addition, it is found that if the angle of the AFM tip reaches 30°, the error of the electric potential obtained from the model ignored the effect of the angle of the AFM tip is almost 16%, which is unacceptable.

A constructive model potential method for atomic interactions

NASA Technical Reports Server (NTRS)

Bottcher, C.; Dalgarno, A.

1974-01-01

A model potential method is presented that can be applied to many electron single centre and two centre systems. The development leads to a Hamiltonian with terms arising from core polarization that depend parametrically upon the positions of the valence electrons. Some of the terms have been introduced empirically in previous studies. Their significance is clarified by an analysis of a similar model in classical electrostatics. The explicit forms of the expectation values of operators at large separations of two atoms given by the model potential method are shown to be equivalent to the exact forms when the assumption is made that the energy level differences of one atom are negligible compared to those of the other.

Coarse-grained molecular dynamics simulations of depletion-induced interactions for soft matter systems

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

Shendruk, Tyler N., E-mail: tyler.shendruk@physics.ox.ac.uk; Bertrand, Martin; Harden, James L.

2014-12-28

Given the ubiquity of depletion effects in biological and other soft matter systems, it is desirable to have coarse-grained Molecular Dynamics (MD) simulation approaches appropriate for the study of complex systems. This paper examines the use of two common truncated Lennard-Jones (Weeks-Chandler-Andersen (WCA)) potentials to describe a pair of colloidal particles in a thermal bath of depletants. The shifted-WCA model is the steeper of the two repulsive potentials considered, while the combinatorial-WCA model is the softer. It is found that the depletion-induced well depth for the combinatorial-WCA model is significantly deeper than the shifted-WCA model because the resulting overlap ofmore » the colloids yields extra accessible volume for depletants. For both shifted- and combinatorial-WCA simulations, the second virial coefficients and pair potentials between colloids are demonstrated to be well approximated by the Morphometric Thermodynamics (MT) model. This agreement suggests that the presence of depletants can be accurately modelled in MD simulations by implicitly including them through simple, analytical MT forms for depletion-induced interactions. Although both WCA potentials are found to be effective generic coarse-grained simulation approaches for studying depletion effects in complicated soft matter systems, combinatorial-WCA is the more efficient approach as depletion effects are enhanced at lower depletant densities. The findings indicate that for soft matter systems that are better modelled by potentials with some compressibility, predictions from hard-sphere systems could greatly underestimate the magnitude of depletion effects at a given depletant density.« less

Integrating geospatial and ground geophysical information as guidelines for groundwater potential zones in hard rock terrains of south India.

PubMed

Rashid, Mehnaz; Lone, Mahjoor Ahmad; Ahmed, Shakeel

2012-08-01

The increasing demand of water has brought tremendous pressure on groundwater resources in the regions were groundwater is prime source of water. The objective of this study was to explore groundwater potential zones in Maheshwaram watershed of Andhra Pradesh, India with semi-arid climatic condition and hard rock granitic terrain. GIS-based modelling was used to integrate remote sensing and geophysical data to delineate groundwater potential zones. In the present study, Indian Remote Sensing RESOURCESAT-1, Linear Imaging Self-Scanner (LISS-4) digital data, ASTER digital elevation model and vertical electrical sounding data along with other data sets were analysed to generate various thematic maps, viz., geomorphology, land use/land cover, geology, lineament density, soil, drainage density, slope, aquifer resistivity and aquifer thickness. Based on this integrated approach, the groundwater availability in the watershed was classified into four categories, viz. very good, good, moderate and poor. The results reveal that the modelling assessment method proposed in this study is an effective tool for deciphering groundwater potential zones for proper planning and management of groundwater resources in diverse hydrogeological terrains.

Theoretical study of solvent effects on the coil-globule transition

NASA Astrophysics Data System (ADS)

Polson, James M.; Opps, Sheldon B.; Abou Risk, Nicholas

2009-06-01

The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for two simple polymer/solvent models, each employing hard-sphere chains and hard-sphere solvent particles as well as attractive square-well potentials between some interaction sites. For each model, collapse is driven by variation in a parameter which changes the energy mismatch between monomers and solvent particles. The solvation potentials were calculated using two fundamentally different methodologies, each designed to predict the conformational behavior of polymers in solution: (1) the polymer reference interaction site model (PRISM) theory and (2) a many-body solvation potential (MBSP) based on scaled particle theory introduced by Grayce [J. Chem. Phys. 106, 5171 (1997)]. For the PRISM calculations, two well-studied solvation monomer-monomer pair potentials were employed, each distinguished by the closure relation used in its derivation: (i) a hypernetted-chain (HNC)-type potential and (ii) a Percus-Yevick (PY)-type potential. The theoretical predictions were each compared to results obtained from explicit-solvent discontinuous molecular dynamics simulations on the same polymer/solvent model systems [J. Chem. Phys. 125, 194904 (2006)]. In each case, the variation in the coil-globule transition properties with solvent density is mostly qualitatively correct, though the quantitative agreement between the theory and prediction is typically poor. The HNC-type potential yields results that are more qualitatively consistent with simulation. The conformational behavior of the polymer upon collapse predicted by the MBSP approach is quantitatively correct for low and moderate solvent densities but is increasingly less accurate for higher densities. At high solvent densities, the PRISM-HNC and MBSP approaches tend to overestimate, while the PRISM-PY approach underestimates the tendency of the solvent to drive polymer collapse.

Human Hemato-Lymphoid System Mice: Current Use and Future Potential for Medicine

PubMed Central

Rongvaux, Anthony; Takizawa, Hitoshi; Strowig, Till; Willinger, Tim; Eynon, Elizabeth E.

2014-01-01

To directly study complex human hemato-lymphoid system physiology and respective system-associated diseases in vivo, human-to-mouse xenotransplantation models for human blood and blood-forming cells and organs have been developed over the past three decades. We here review the fundamental requirements and the remarkable progress made over the past few years in improving these systems, the current major achievements reached by use of these models, and the future challenges to more closely model and study human health and disease and to achieve predictive preclinical testing of both prevention measures and potential new therapies. PMID:23330956

Membrane potential bistability in nonexcitable cells as described by inward and outward voltage-gated ion channels.

PubMed

Cervera, Javier; Alcaraz, Antonio; Mafe, Salvador

2014-10-30

The membrane potential of nonexcitable cells, defined as the electrical potential difference between the cell cytoplasm and the extracellular environment when the current is zero, is controlled by the individual electrical conductance of different ion channels. In particular, inward- and outward-rectifying voltage-gated channels are crucial for cell hyperpolarization/depolarization processes, being amenable to direct physical study. High (in absolute value) negative membrane potentials are characteristic of terminally differentiated cells, while low membrane potentials are found in relatively depolarized, more plastic cells (e.g., stem, embryonic, and cancer cells). We study theoretically the hyperpolarized and depolarized values of the membrane potential, as well as the possibility to obtain a bistability behavior, using simplified models for the ion channels that regulate this potential. The bistability regions, which are defined in the multidimensional state space determining the cell state, can be relevant for the understanding of the different model cell states and the transitions between them, which are triggered by changes in the external environment.

Study of interaction in silica glass via model potential approach

NASA Astrophysics Data System (ADS)

Mann, Sarita; Rani, Pooja

2016-05-01

Silica is one of the most commonly encountered substances in daily life and in electronics industry. Crystalline SiO2 (in several forms: quartz, cristobalite, tridymite) is an important constituent of many minerals and gemstones, both in pure form and mixed with related oxides. Cohesive energy of amorphous SiO2 has been investigated via intermolecular potentials i.e weak Van der Waals interaction and Morse type short-range interaction. We suggest a simple atom-atom based Van der Waals as well as Morse potential to find cohesive energy of glass. It has been found that the study of silica structure using two different model potentials is significantly different. Van der Waals potential is too weak (P.E =0.142eV/molecule) to describe the interaction between silica molecules. Morse potential is a strong potential, earlier given for intramolecular bonding, but if applied for intermolecular bonding, it gives a value of P.E (=-21.92eV/molecule) to appropriately describe the structure of silica.

Benchmark results in the 2D lattice Thirring model with a chemical potential

NASA Astrophysics Data System (ADS)

Ayyar, Venkitesh; Chandrasekharan, Shailesh; Rantaharju, Jarno

2018-03-01

We study the two-dimensional lattice Thirring model in the presence of a fermion chemical potential. Our model is asymptotically free and contains massive fermions that mimic a baryon and light bosons that mimic pions. Hence, it is a useful toy model for QCD, especially since it, too, suffers from a sign problem in the auxiliary field formulation in the presence of a fermion chemical potential. In this work, we formulate the model in both the world line and fermion-bag representations and show that the sign problem can be completely eliminated with open boundary conditions when the fermions are massless. Hence, we are able accurately compute a variety of interesting quantities in the model, and these results could provide benchmarks for other methods that are being developed to solve the sign problem in QCD.

Nonlinear oscillations in a muscle pacemaker cell model

NASA Astrophysics Data System (ADS)

González-Miranda, J. M.

2017-02-01

This article presents a numerical simulation study of the nonlinear oscillations displayed by the Morris-Lecar model [Biophys. J. 35 (1981) 193] for the oscillations experimentally observed in the transmembrane potential of a muscle fiber subject to an external electrical stimulus. We consider the model in the case when there is no external stimulation, aiming to establish the ability of the model to display biophysically reasonable pacemaker dynamics. We obtain 2D bifurcation diagrams showing that indeed the model presents oscillatory dynamics, displaying the two main types of action potentials that are observed in muscle fibers. The results obtained are shown to be structurally stable; that is, robust against changes in the values of system parameters. Moreover, it is demonstrated how the model is appropriate to analyze the action potentials observed in terms of the transmembrane currents creating them.

Effects of energy conservation on equilibrium properties of hot asymmetric nuclear matter

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Ko, Che Ming

2018-01-01

Based on the relativistic Vlasov-Uehling-Uhlenbeck transport model, which includes relativistic scalar and vector potentials on baryons, we consider an N -Δ -π system in a box with periodic boundary conditions to study the effects of energy conservation in particle production and absorption processes on the equilibrium properties of the system. The density and temperature of the matter in the box are taken to be similar to the hot dense matter formed in heavy ion collisions at intermediate energies. We find that to maintain the equilibrium numbers of N ,Δ , and π , which depend on the mean-field potentials of N and Δ , we must include these potentials in the energy conservation condition that determines the momenta of outgoing particles after a scattering or decay process. We further find that the baryon scalar potentials mainly affect the Δ and pion equilibrium numbers, while the baryon vector potentials have considerable effect on the effective charged pion ratio at equilibrium. Our results thus indicate that it is essential to include in the transport model the effect of potentials in the energy conservation of a scattering or decay process, which is ignored in most transport models, for studying pion production in heavy ion collisions.

Mesoscale Simulation Data for Initializing Fast-Time Wake Transport and Decay Models

NASA Technical Reports Server (NTRS)

Ahmad, Nashat N.; Proctor, Fred H.; Vanvalkenburg, Randal L.; Pruis, Mathew J.; LimonDuparcmeur, Fanny M.

2012-01-01

The fast-time wake transport and decay models require vertical profiles of crosswinds, potential temperature and the eddy dissipation rate as initial conditions. These inputs are normally obtained from various field sensors. In case of data-denied scenarios or operational use, these initial conditions can be provided by mesoscale model simulations. In this study, the vertical profiles of potential temperature from a mesoscale model were used as initial conditions for the fast-time wake models. The mesoscale model simulations were compared against available observations and the wake model predictions were compared with the Lidar measurements from three wake vortex field experiments.

Very low scale Coleman-Weinberg inflation with nonminimal coupling

NASA Astrophysics Data System (ADS)

Kaneta, Kunio; Seto, Osamu; Takahashi, Ryo

2018-03-01

We study viable small-field Coleman-Weinberg (CW) inflation models with the help of nonminimal coupling to gravity. The simplest small-field CW inflation model (with a low-scale potential minimum) is incompatible with the cosmological constraint on the scalar spectral index. However, there are possibilities to make the model realistic. First, we revisit the CW inflation model supplemented with a linear potential term. We next consider the CW inflation model with a logarithmic nonminimal coupling and illustrate that the model can open a new viable parameter space that includes the model with a linear potential term. We also show parameter spaces where the Hubble scale during the inflation can be as small as 10-4 GeV , 1 GeV, 1 04 GeV , and 1 08 GeV for the number of e -folds of 40, 45, 50, and 55, respectively, with other cosmological constraints being satisfied.

Recent developments in emerging therapeutic targets of osteoarthritis.

PubMed

Sun, Margaret Man-Ger; Beier, Frank; Pest, Michael A

2017-01-01

Despite the tremendous individual suffering and socioeconomic burden caused by osteoarthritis, there are currently no effective disease-modifying treatment options. This is in part because of our incomplete understanding of osteoarthritis disease mechanism. This review summarizes recent developments in therapeutic targets identified from surgical animal models of osteoarthritis that provide novel insight into osteoarthritis pathology and possess potential for progression into preclinical studies. Several candidate pathways and processes that have been identified include chondrocyte autophagy, growth factor signaling, inflammation, and nociceptive signaling. Major strategies that possess therapeutic potential at the cellular level include inhibiting autophagy suppression and decreasing reactive oxygen species (ROS) production. Cartilage anabolism and prevention of cartilage degradation has been shown to result from growth factor signaling modulation, such as TGF-β, TGF-α, and FGF; however, the results are context-dependent and require further investigation. Pain assessment studies in rodent surgical models have demonstrated potential in employing anti-NGF strategies for minimizing osteoarthritis-associated pain. Studies of potential therapeutic targets in osteoarthritis using animal surgical models are helping to elucidate osteoarthritis pathology and propel therapeutics development. Further studies should continue to elucidate pathological mechanisms and therapeutic targets in various joint tissues to improve overall joint health.

Methodological approach towards the definition of new storage conditions for inert wastes.

PubMed

Perrodin, Y; Méhu, J; Grelier-Volatier, L; Charbonnierb, P; Baranger, P; Thoraval, L

2002-01-01

In 1997, the French Ministry of Environment launched studies aiming to define a specific regulation concerning inert waste disposal in order to limit potential impact of such facilities on the environment by fixing minimum requirements. A model (chemical model/hydrodynamic model) was developed to determine dumping conditions. This model was then applied on two defined scenarios (landfill surface, effective rainfalls...) in order to study the sulphate concentrations in aquifer system immediately downstream from the storage facility. Results allow us to determine in which conditions the sulphates concentrations are compatibles with the potentially drinkable character of the groundwater. They more specifically concern the nature of the waste disposed of, the efficient rainfalls and the landfill area.

Model-based analyses: Promises, pitfalls, and example applications to the study of cognitive control

PubMed Central

Mars, Rogier B.; Shea, Nicholas J.; Kolling, Nils; Rushworth, Matthew F. S.

2011-01-01

We discuss a recent approach to investigating cognitive control, which has the potential to deal with some of the challenges inherent in this endeavour. In a model-based approach, the researcher defines a formal, computational model that performs the task at hand and whose performance matches that of a research participant. The internal variables in such a model might then be taken as proxies for latent variables computed in the brain. We discuss the potential advantages of such an approach for the study of the neural underpinnings of cognitive control and its pitfalls, and we make explicit the assumptions underlying the interpretation of data obtained using this approach. PMID:20437297

Concentration Dependent Electrical Transport Properties of Ni-Cr Binary Alloys

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Khambholja, S. G.; Thakore, B. Y.; Gajjar, P. N.; Jani, A. R.

2011-07-01

The concentration dependent electrical transport properties viz. electrical resistivity and thermal conductivity of liquid Ni-Cr alloys are computed at 1400 K temperature. The electrical resistivity has been studied according to Faber-Ziman model in wide range of Cr concentration. In the present work, the electron-ion interaction is incorporated through our well tested local model potential with screening function due to Sarkar et al.. [S] along with the Hartree [H] dielectric function. Good agreement is achieved between the presently calculated results of resistivity as well as thermal conductivity with the experimental data found in the literature, confirming the applicability of model potential and Faber-Ziman model for such a study.

Homoclinic chaos in axisymmetric Bianchi-IX cosmological models with an ad hoc quantum potential

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

Correa, G. C.; Stuchi, T. J.; Joras, S. E.

2010-04-15

In this work we study the dynamics of the axisymmetric Bianchi-IX cosmological model with a term of quantum potential added. As it is well known, this class of Bianchi-IX models is homogeneous and anisotropic with two scale factors, A(t) and B(t), derived from the solution of Einstein's equation for general relativity. The model we use in this work has a cosmological constant and the matter content is dust. To this model we add a quantum-inspired potential that is intended to represent short-range effects due to the general relativistic behavior of matter in small scales and play the role of amore » repulsive force near the singularity. We find that this potential restricts the dynamics of the model to positive values of A(t) and B(t) and alters some qualitative and quantitative characteristics of the dynamics studied previously by several authors. We make a complete analysis of the phase space of the model finding critical points, periodic orbits, stable/unstable manifolds using numerical techniques such as Poincare section, numerical continuation of orbits, and numerical globalization of invariant manifolds. We compare the classical and the quantum models. Our main result is the existence of homoclinic crossings of the stable and unstable manifolds in the physically meaningful region of the phase space [where both A(t) and B(t) are positive], indicating chaotic escape to inflation and bouncing near the singularity.« less

Critical insight into the influence of the potential energy surface on fission dynamics

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

Mazurek, K.; Grand Accelerateur National d'Ions Lourds; Schmitt, C.

The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. Whenmore » utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.« less

Biofilm formation by Listeria monocytogenes on stainless steel surface and biotransfer potential.

PubMed

de Oliveira, Maíra Maciel Mattos; Brugnera, Danilo Florisvaldo; Alves, Eduardo; Piccoli, Roberta Hilsdorf

2010-01-01

An experimental model was proposed to study biofilm formation by Listeria monocytogenes ATCC 19117 on AISI 304 (#4) stainless steel surface and biotransfer potential during this process. In this model, biofilm formation was conducted on the surface of stainless steel coupons, set on a stainless steel base with 4 divisions, each one supporting 21 coupons. Trypic Soy Broth was used as bacterial growth substrate, with incubation at 37 °C and stirring of 50 rpm. The number of adhered cells was determined after 3, 48, 96, 144, 192 and 240 hours of biofilm formation and biotransfer potential from 96 hours. Stainless steel coupons were submitted to Scanning Electron Microscopy (SEM) after 3, 144 and 240 hours. Based on the number of adhered cells and SEM, it was observed that L. monocytogenes adhered rapidly to the stainless steel surface, with mature biofilm being formed after 240 hours. The biotransfer potential of bacterium to substrate occurred at all the stages analyzed. The rapid capacity of adhesion to surface, combined with biotransfer potential throughout the biofilm formation stages, make L. monocytogenes a potential risk to the food industry. Both the experimental model developed and the methodology used were efficient in the study of biofilm formation by L. monocytogenes on stainless steel surface and biotransfer potential.

Low-energy effective action in two-dimensional SQED: a two-loop analysis

NASA Astrophysics Data System (ADS)

Samsonov, I. B.

2017-07-01

We study two-loop quantum corrections to the low-energy effective actions in N=(2,2) and N=(4,4) SQED on the Coulomb branch. In the latter model, the low-energy effective action is described by a generalized Kähler potential which depends on both chiral and twisted chiral superfields. We demonstrate that this generalized Kähler potential is one-loop exact and corresponds to the N=(4,4) sigma-model with torsion presented by Roček, Schoutens and Sevrin [1]. In the N=(2,2) SQED, the effective Kähler potential is not protected against higher-loop quantum corrections. The two-loop quantum corrections to this potential and the corresponding sigma-model metric are explicitly found.

A method for physically based model analysis of conjunctive use in response to potential climate changes

USGS Publications Warehouse

Hanson, R.T.; Flint, L.E.; Flint, A.L.; Dettinger, M.D.; Faunt, C.C.; Cayan, D.; Schmid, W.

2012-01-01

Potential climate change effects on aspects of conjunctive management of water resources can be evaluated by linking climate models with fully integrated groundwater-surface water models. The objective of this study is to develop a modeling system that links global climate models with regional hydrologic models, using the California Central Valley as a case study. The new method is a supply and demand modeling framework that can be used to simulate and analyze potential climate change and conjunctive use. Supply-constrained and demand-driven linkages in the water system in the Central Valley are represented with the linked climate models, precipitation-runoff models, agricultural and native vegetation water use, and hydrologic flow models to demonstrate the feasibility of this method. Simulated precipitation and temperature were used from the GFDL-A2 climate change scenario through the 21st century to drive a regional water balance mountain hydrologic watershed model (MHWM) for the surrounding watersheds in combination with a regional integrated hydrologic model of the Central Valley (CVHM). Application of this method demonstrates the potential transition from predominantly surface water to groundwater supply for agriculture with secondary effects that may limit this transition of conjunctive use. The particular scenario considered includes intermittent climatic droughts in the first half of the 21st century followed by severe persistent droughts in the second half of the 21st century. These climatic droughts do not yield a valley-wide operational drought but do cause reduced surface water deliveries and increased groundwater abstractions that may cause additional land subsidence, reduced water for riparian habitat, or changes in flows at the Sacramento-San Joaquin River Delta. The method developed here can be used to explore conjunctive use adaptation options and hydrologic risk assessments in regional hydrologic systems throughout the world.

Coupling Radar Rainfall to Hydrological Models for Water Abstraction Management

NASA Astrophysics Data System (ADS)

Asfaw, Alemayehu; Shucksmith, James; Smith, Andrea; MacDonald, Ken

2015-04-01

The impacts of climate change and growing water use are likely to put considerable pressure on water resources and the environment. In the UK, a reform to surface water abstraction policy has recently been proposed which aims to increase the efficiency of using available water resources whilst minimising impacts on the aquatic environment. Key aspects to this reform include the consideration of dynamic rather than static abstraction licensing as well as introducing water trading concepts. Dynamic licensing will permit varying levels of abstraction dependent on environmental conditions (i.e. river flow and quality). The practical implementation of an effective dynamic abstraction strategy requires suitable flow forecasting techniques to inform abstraction asset management. Potentially the predicted availability of water resources within a catchment can be coupled to predicted demand and current storage to inform a cost effective water resource management strategy which minimises environmental impacts. The aim of this work is to use a historical analysis of UK case study catchment to compare potential water resource availability using modelled dynamic abstraction scenario informed by a flow forecasting model, against observed abstraction under a conventional abstraction regime. The work also demonstrates the impacts of modelling uncertainties on the accuracy of predicted water availability over range of forecast lead times. The study utilised a conceptual rainfall-runoff model PDM - Probability-Distributed Model developed by Centre for Ecology & Hydrology - set up in the Dove River catchment (UK) using 1km2 resolution radar rainfall as inputs and 15 min resolution gauged flow data for calibration and validation. Data assimilation procedures are implemented to improve flow predictions using observed flow data. Uncertainties in the radar rainfall data used in the model are quantified using artificial statistical error model described by Gaussian distribution and propagated through the model to assess its influence on the forecasted flow uncertainty. Furthermore, the effects of uncertainties at different forecast lead times on potential abstraction strategies are assessed. The results show that over a 10 year period, an average of approximately 70 ML/d of potential water is missed in the study catchment under a convention abstraction regime. This indicates a considerable potential for the use of flow forecasting models to effectively implement advanced abstraction management and more efficiently utilize available water resources in the study catchment.

An optimized workflow for building 3D models from balanced sections and potential field geophysics: a study case in NE Spain.

NASA Astrophysics Data System (ADS)

Ayala, Conxi; Izquierdo-Llavall, Esther; Pueyo, Emilio Luis; Rubio, Félix; Rodríguez-Pintó, Adriana; María Casas, Antonio; Oliva-Urcía, Belén; Rey-Moral, Carmen

2015-04-01

Obtaining an accurate 3D image of the geometry and physical properties of geological structures in depth is a challenge regardless the scale and the aim of the investigation. In this framework, assessing the origin of the uncertainties and reducing them is a key issue when building a 3D reconstruction of a target area. Usually, this process involves an interdisciplinary approach and also the use of different software whose inputs and outputs have to be interoperable. We have designed a new workflow for 2.5D and 3D geological and potential field modelling, especially useful in areas where no seismic data is available. The final aim is to obtain a 3D geological model, at a regional or local scale, with the smaller uncertainty as possible. Once the study area and the working scale are is decided, the first obvious step is to compile all preexisting data and to determine its uncertainties. If necessary, a survey will be carried out to acquire additional data (e.g., gravity, magnetic or petrophysical data) to have an appropriated coverage of information and rock samples. A thorough study of the petrophysical properties is made to determine the density, magnetic susceptibility and remanence that will be assigned to each lithology, together with its corresponding uncertainty. Finally, the modelling process is started, and it includes a feedback between geology and potential fields in order to progressively refine the model until it fits all the existing data. The procedure starts with the construction of balanced geological cross sections from field work, available geological maps as well as data from stratigraphic columns, boreholes, etc. These geological cross sections are exported and imported in GMSYS software to carry out the 2.5D potential field modelling. The model improves and its uncertainty is reduced through the feedback between the geologists and the geophysicists. Once the potential field anomalies are well adjusted, the cross sections are exported into 3DMove (Midland Valley) to construct a preliminary balanced 3D model. Inversion of the potential field data in GeoModeller is the final step to obtain a 3D model consistent with the input data and with the minimum possible uncertainty. Our case study is a 3D model from the Linking Zone between the Iberian Range and the Catalonian Costal ones (NE Spain, an extension of 11,325 km2). No seismic data was available, so we carried out several surveys to acquire new gravity data and rock samples to complete the data from IGME petrophysical databases. A total of 1470 samples have been used to define the physical properties for the modelled lithologies. The gravity data consists of 2902 stations. The initial model is based on the surface geology, eleven boreholes and 8 balanced geological cross sections built in the frame of this research. The final model resulted from gravimetric inversion has allowed us to define the geometry of the top of the basement as well as to identify two structures (anticlines) as potential CO2 reservoirs.

Assessing the bioaccumulation potential of ionizable organic ...

EPA Pesticide Factsheets

The objective of the present study is to review current knowledge regarding the bioaccumulation potential of IOCs, with a focus on the availability of empirical data for fish. Aspects of the bioaccumulation potential of IOCs in fish that can be characterized relatively well include the pH-dependence of gill uptake and elimination, uptake in the gut, and sorption to phospholipids (membrane-water partitioning). Key challenges include the lack of empirical data for biotransformation and binding in plasma. Fish possess a diverse array of proteins which may transport IOCs across cell membranes. Except in a few cases, however, the significance of this transport for uptake and accumulation of environmental contaminants is unknown. Two case studies are presented. The first describes modeled effects of pH and biotransformation on bioconcentration of organic acids and bases, while the second employs an updated model to investigate factors responsible for accumulation of perfluoroalkylated acids (PFAA). The PFAA case study is notable insofar as it illustrates the likely importance of membrane transporters in the kidney and highlights the potential value of read across approaches. Recognizing the current need to perform bioaccumulation hazard assessments and ecological and exposure risk assessment for IOCs, we provide a tiered strategy that progresses (as needed) from conservative assumptions (models and associated data) to more sophisticated models requiring chemical-speci

Northeastern Brazilian margin: Regional tectonic evolution based on integrated analysis of seismic reflection and potential field data and modelling

NASA Astrophysics Data System (ADS)

Blaich, Olav A.; Tsikalas, Filippos; Faleide, Jan Inge

2008-10-01

Integration of regional seismic reflection and potential field data along the northeastern Brazilian margin, complemented by crustal-scale gravity modelling, is used to reveal and illustrate onshore-offshore crustal structure correlation, the character of the continent-ocean boundary, and the relationship of crustal structure to regional variation of potential field anomalies. The study reveals distinct along-margin structural and magmatic changes that are spatially related to a number of conjugate Brazil-West Africa transfer systems, governing the margin segmentation and evolution. Several conceptual tectonic models are invoked to explain the structural evolution of the different margin segments in a conjugate margin context. Furthermore, the constructed transects, the observed and modelled Moho relief, and the potential field anomalies indicate that the Recôncavo, Tucano and Jatobá rift system may reflect a polyphase deformation rifting-mode associated with a complex time-dependent thermal structure of the lithosphere. The constructed transects and available seismic reflection profiles, indicate that the northern part of the study area lacks major breakup-related magmatic activity, suggesting a rifted non-volcanic margin affinity. In contrast, the southern part of the study area is characterized by abrupt crustal thinning and evidence for breakup magmatic activity, suggesting that this region evolved, partially, with a rifted volcanic margin affinity and character.

Calculation of single chain cellulose elasticity using fully atomistic modeling

Treesearch

Xiawa Wu; Robert J. Moon; Ashlie Martini

2011-01-01

Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is...

3D reconstruction of the magnetic vector potential using model based iterative reconstruction

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

Prabhat, K. C.; Aditya Mohan, K.; Phatak, Charudatta

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model formore » image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. Here, a comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach.« less

Geographic potential of disease caused by Ebola and Marburg viruses in Africa.

PubMed

Peterson, A Townsend; Samy, Abdallah M

2016-10-01

Filoviruses represent a significant public health threat worldwide. West Africa recently experienced the largest-scale and most complex filovirus outbreak yet known, which underlines the need for a predictive understanding of the geographic distribution and potential for transmission to humans of these viruses. Here, we used ecological niche modeling techniques to understand the relationship between known filovirus occurrences and environmental characteristics. Our study derived a picture of the potential transmission geography of Ebola virus species and Marburg, paired with views of the spatial uncertainty associated with model-to-model variation in our predictions. We found that filovirus species have diverged ecologically, but only three species are sufficiently well known that models could be developed with significant predictive power. We quantified uncertainty in predictions, assessed potential for outbreaks outside of known transmission areas, and highlighted the Ethiopian Highlands and scattered areas across East Africa as additional potentially unrecognized transmission areas. Copyright © 2016 Elsevier B.V. All rights reserved.

3D reconstruction of the magnetic vector potential using model based iterative reconstruction.

PubMed

Prabhat, K C; Aditya Mohan, K; Phatak, Charudatta; Bouman, Charles; De Graef, Marc

2017-11-01

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model for image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. A comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential

PubMed Central

Zhou, Yu-Ping; Jiang, Jin-Wu

2017-01-01

While most existing theoretical studies on the borophene are based on first-principles calculations, the present work presents molecular dynamics simulations for the lattice dynamical and mechanical properties in borophene. The obtained mechanical quantities are in good agreement with previous first-principles calculations. The key ingredients for these molecular dynamics simulations are the two efficient empirical potentials developed in the present work for the interaction of borophene with low-energy triangular structure. The first one is the valence force field model, which is developed with the assistance of the phonon dispersion of borophene. The valence force field model is a linear potential, so it is rather efficient for the calculation of linear quantities in borophene. The second one is the Stillinger-Weber potential, whose parameters are derived based on the valence force field model. The Stillinger-Weber potential is applicable in molecular dynamics simulations of nonlinear physical or mechanical quantities in borophene. PMID:28349983

3D reconstruction of the magnetic vector potential using model based iterative reconstruction

DOE PAGES

Prabhat, K. C.; Aditya Mohan, K.; Phatak, Charudatta; ...

2017-07-03

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model formore » image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. Here, a comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach.« less

Modeling potential evapotranspiration of two forested watersheds in the southern Appalachians

Treesearch

L.Y. Rao; G. Sun; C.R. Ford; J.M. Vose

2011-01-01

Global climate change has direct impacts on watershed hydrology through altering evapotranspiration (ET) processes at multiple scales. There are many methods to estimate forest ET with models, but the most practical and the most popular one is the potential ET (PET) based method. However, the choice of PET methods for AET estimation remains challenging. This study...

Representing the effects of stratosphere–troposphere exchange on 3-D O3 distributions in chemistry transport models using a potential vorticity-based parameterization

EPA Science Inventory

Downward transport of ozone (O3) from the stratosphere can be a significant contributor to tropospheric O3 background levels. However, this process often is not well represented in current regional models. In this study, we develop a seasonally and spatially varying potential vor...

Population of computational rabbit-specific ventricular action potential models for investigating sources of variability in cellular repolarisation.

PubMed

Gemmell, Philip; Burrage, Kevin; Rodriguez, Blanca; Quinn, T Alexander

2014-01-01

Variability is observed at all levels of cardiac electrophysiology. Yet, the underlying causes and importance of this variability are generally unknown, and difficult to investigate with current experimental techniques. The aim of the present study was to generate populations of computational ventricular action potential models that reproduce experimentally observed intercellular variability of repolarisation (represented by action potential duration) and to identify its potential causes. A systematic exploration of the effects of simultaneously varying the magnitude of six transmembrane current conductances (transient outward, rapid and slow delayed rectifier K(+), inward rectifying K(+), L-type Ca(2+), and Na(+)/K(+) pump currents) in two rabbit-specific ventricular action potential models (Shannon et al. and Mahajan et al.) at multiple cycle lengths (400, 600, 1,000 ms) was performed. This was accomplished with distributed computing software specialised for multi-dimensional parameter sweeps and grid execution. An initial population of 15,625 parameter sets was generated for both models at each cycle length. Action potential durations of these populations were compared to experimentally derived ranges for rabbit ventricular myocytes. 1,352 parameter sets for the Shannon model and 779 parameter sets for the Mahajan model yielded action potential duration within the experimental range, demonstrating that a wide array of ionic conductance values can be used to simulate a physiological rabbit ventricular action potential. Furthermore, by using clutter-based dimension reordering, a technique that allows visualisation of multi-dimensional spaces in two dimensions, the interaction of current conductances and their relative importance to the ventricular action potential at different cycle lengths were revealed. Overall, this work represents an important step towards a better understanding of the role that variability in current conductances may play in experimentally observed intercellular variability of rabbit ventricular action potential repolarisation.

Population of Computational Rabbit-Specific Ventricular Action Potential Models for Investigating Sources of Variability in Cellular Repolarisation

PubMed Central

Gemmell, Philip; Burrage, Kevin; Rodriguez, Blanca; Quinn, T. Alexander

2014-01-01

Variability is observed at all levels of cardiac electrophysiology. Yet, the underlying causes and importance of this variability are generally unknown, and difficult to investigate with current experimental techniques. The aim of the present study was to generate populations of computational ventricular action potential models that reproduce experimentally observed intercellular variability of repolarisation (represented by action potential duration) and to identify its potential causes. A systematic exploration of the effects of simultaneously varying the magnitude of six transmembrane current conductances (transient outward, rapid and slow delayed rectifier K+, inward rectifying K+, L-type Ca2+, and Na+/K+ pump currents) in two rabbit-specific ventricular action potential models (Shannon et al. and Mahajan et al.) at multiple cycle lengths (400, 600, 1,000 ms) was performed. This was accomplished with distributed computing software specialised for multi-dimensional parameter sweeps and grid execution. An initial population of 15,625 parameter sets was generated for both models at each cycle length. Action potential durations of these populations were compared to experimentally derived ranges for rabbit ventricular myocytes. 1,352 parameter sets for the Shannon model and 779 parameter sets for the Mahajan model yielded action potential duration within the experimental range, demonstrating that a wide array of ionic conductance values can be used to simulate a physiological rabbit ventricular action potential. Furthermore, by using clutter-based dimension reordering, a technique that allows visualisation of multi-dimensional spaces in two dimensions, the interaction of current conductances and their relative importance to the ventricular action potential at different cycle lengths were revealed. Overall, this work represents an important step towards a better understanding of the role that variability in current conductances may play in experimentally observed intercellular variability of rabbit ventricular action potential repolarisation. PMID:24587229

Fishing for causes and cures of motor neuron disorders.

PubMed

Patten, Shunmoogum A; Armstrong, Gary A B; Lissouba, Alexandra; Kabashi, Edor; Parker, J Alex; Drapeau, Pierre

2014-07-01

Motor neuron disorders (MNDs) are a clinically heterogeneous group of neurological diseases characterized by progressive degeneration of motor neurons, and share some common pathological pathways. Despite remarkable advances in our understanding of these diseases, no curative treatment for MNDs exists. To better understand the pathogenesis of MNDs and to help develop new treatments, the establishment of animal models that can be studied efficiently and thoroughly is paramount. The zebrafish (Danio rerio) is increasingly becoming a valuable model for studying human diseases and in screening for potential therapeutics. In this Review, we highlight recent progress in using zebrafish to study the pathology of the most common MNDs: spinal muscular atrophy (SMA), amyotrophic lateral sclerosis (ALS) and hereditary spastic paraplegia (HSP). These studies indicate the power of zebrafish as a model to study the consequences of disease-related genes, because zebrafish homologues of human genes have conserved functions with respect to the aetiology of MNDs. Zebrafish also complement other animal models for the study of pathological mechanisms of MNDs and are particularly advantageous for the screening of compounds with therapeutic potential. We present an overview of their potential usefulness in MND drug discovery, which is just beginning and holds much promise for future therapeutic development. © 2014. Published by The Company of Biologists Ltd.

Development and evaluation of an automatically adjusting coarse-grained force field for a β-O-4 type lignin from atomistic simulations

NASA Astrophysics Data System (ADS)

Li, Wenzhuo; Zhao, Yingying; Huang, Shuaiyu; Zhang, Song; Zhang, Lin

2017-01-01

This goal of this work was to develop a coarse-grained (CG) model of a β-O-4 type lignin polymer, because of the time consuming process required to achieve equilibrium for its atomistic model. The automatic adjustment method was used to develop the lignin CG model, which enables easy discrimination between chemically-varied polymers. In the process of building the lignin CG model, a sum of n Gaussian functions was obtained by an approximation of the corresponding atomistic potentials derived from a simple Boltzmann inversion of the distributions of the structural parameters. This allowed the establishment of the potential functions of the CG bond stretching and angular bending. To obtain the potential function of the CG dihedral angle, an algorithm similar to a Fourier progression form was employed together with a nonlinear curve-fitting method. The numerical potentials of the nonbonded portion of the lignin CG model were obtained using a potential inversion iterative method derived from the corresponding atomistic nonbonded distributions. The study results showed that the proposed CG model of lignin agreed well with its atomistic model in terms of the distributions of bond lengths, bending angles, dihedral angles and nonbonded distances between the CG beads. The lignin CG model also reproduced the static and dynamic properties of the atomistic model. The results of the comparative evaluation of the two models suggested that the designed lignin CG model was efficient and reliable.

Application of Dempster-Shafer theory of evidence model to geoelectric and hydraulic parameters for groundwater potential zonation

NASA Astrophysics Data System (ADS)

Mogaji, Kehinde Anthony; Lim, Hwee San

2018-06-01

The application of a GIS - based Dempster - Shafer data driven model named as evidential belief function EBF- methodology to groundwater potential conditioning factors (GPCFs) derived from geophysical and hydrogeological data sets for assessing groundwater potentiality was presented in this study. The proposed method's efficacy in managing degree of uncertainty in spatial predictive models motivated this research. The method procedural approaches entail firstly, the database containing groundwater data records (bore wells location inventory, hydrogeological data record, etc.) and geophysical measurement data construction. From the database, different influencing groundwater occurrence factors, namely aquifer layer thickness, aquifer layer resistivity, overburden material resistivity, overburden material thickness, aquifer hydraulic conductivity and aquifer transmissivity were extracted and prepared. Further, the bore well location inventories were partitioned randomly into a ratio of 70% (19 wells) for model training and 30% (9 wells) for model testing. The synthesized of the GPCFs via applying the DS - EBF model algorithms produced the groundwater productivity potential index (GPPI) map which demarcated the area into low - medium, medium, medium - high and high potential zones. The analyzed percentage degree of uncertainty for the predicted lows potential zones classes and mediums/highs potential zones classes are >10% and <10%, respectively. The DS theory model-based GPPI map's validation through ROC approach established prediction rate accuracy of 88.8%. Successively, the determined transverse resistance (TR) values in the range of 1280 and 30,000 Ω my for the area geoelectrically delineated aquifer units of the predicted potential zones through Dar - Zarrouk Parameter analysis quantitatively confirm the DS theory modeling prediction results. This research results have expand the capability of DS - EBF model in predictive modeling by effective uncertainty management. Thus, the produced map could form part of decision support system reliable to be used by local authorities for groundwater exploitation and management in the area.

Validating a human model for anxiety using startle potentiated by cue and context: the effects of alprazolam, pregabalin, and diphenhydramine

PubMed Central

Mol, N.; Kenemans, J. L.; Prinssen, E. P.; Niklson, I.; Xia-Chen, C.; Broeyer, F.; van Gerven, J.

2009-01-01

Background Fear-potentiated startle has been suggested as a translational model for evaluating efficacy of anxiolytic compounds in humans. Several known anxiolytic compounds have been tested as well as several putative anxiolytics. Because results of these studies have been equivocal, the aim of the present study was to examine another pharmacological permutation of the human potentiated startle model by comparing two anxiolytic agents to a non-anxiolytic sedative and placebo. Methods Twenty healthy volunteers participated in a double-blind, placebo-controlled, cross-over study with four sessions in which they received single doses of the anxiolytics alprazolam (1 mg) and pregabalin (200 mg), as well as diphenhydramine (50 mg) as a non-anxiolytic sedative control and placebo. The design included a cued shock condition that presumably evokes fear and an unpredictable shock context condition presumably evoking anxiety. Results None of the treatments reliably reduced either fear- or anxiety-potentiated startle. Alprazolam and diphenhydramine reduced overall baseline startle. Alprazolam was found to only affect contextual anxiety in a statistical significant way after two subjects who failed to show a contextual anxiety effect in the placebo condition were excluded from the analysis. Pregabalin did not significantly affect any of the physiological measures. Discussion The negative findings from this study are discussed in terms of methodological differences between designs and in variability of startle both between and within study participants. Conclusion Even though fear-potentiated startle may be used to translate preclinical evidence to human populations, methodological issues still hamper the application of this model to early screening of putative anxiolytic drugs. PMID:19415242

Neural Energy Supply-Consumption Properties Based on Hodgkin-Huxley Model

PubMed Central

2017-01-01

Electrical activity is the foundation of the neural system. Coding theories that describe neural electrical activity by the roles of action potential timing or frequency have been thoroughly studied. However, an alternative method to study coding questions is the energy method, which is more global and economical. In this study, we clearly defined and calculated neural energy supply and consumption based on the Hodgkin-Huxley model, during firing action potentials and subthreshold activities using ion-counting and power-integral model. Furthermore, we analyzed energy properties of each ion channel and found that, under the two circumstances, power synchronization of ion channels and energy utilization ratio have significant differences. This is particularly true of the energy utilization ratio, which can rise to above 100% during subthreshold activity, revealing an overdraft property of energy use. These findings demonstrate the distinct status of the energy properties during neuronal firings and subthreshold activities. Meanwhile, after introducing a synapse energy model, this research can be generalized to energy calculation of a neural network. This is potentially important for understanding the relationship between dynamical network activities and cognitive behaviors. PMID:28316842

A numerical study on electrochemical transport of ions in calcium fluoride slag

NASA Astrophysics Data System (ADS)

Karimi-Sibaki, E.; Kharicha, A.; Wu, M.; Ludwig, A.

2016-07-01

Electrically resistive CaF 2-based slags are widely used in electroslag remelting (ESR) process to generate Joule heat for the melting of electrode. The electric current is conducted by ions (electrolyte) such as Ca +2 or F -, thus it is necessary to establish electrochemical models to study electrical behavior of slag. This paper presents a numerical model on electrochemical transport of ions in an arbitrary symmetrical (ZZ) and non-symmetrical (CaF2) stagnant electrolytes blocked by two parallel, planar electrodes. The dimensionless Poisson-Nernst-Planck (PNP) equations are solved to model electro-migration and diffusion of ions. The ions are considered to be inert that no Faradic reactions occur. Spatial variations of concentrations of ions, charge density and electric potential across the electrolyte are analyzed. It is shown that the applied potential has significant influence on the system response. At high applied voltage, the anodic potential drop near the electrode is significantly larger than cathodic potential drop in fully dissociated CaF2 electrolyte.

A vegetation-focused soil-plant-atmospheric continuum model to study hydrodynamic soil-plant water relations

NASA Astrophysics Data System (ADS)

Deng, Zijuan; Guan, Huade; Hutson, John; Forster, Michael A.; Wang, Yunquan; Simmons, Craig T.

2017-06-01

A novel simple soil-plant-atmospheric continuum model that emphasizes the vegetation's role in controlling water transfer (v-SPAC) has been developed in this study. The v-SPAC model aims to incorporate both plant and soil hydrological measurements into plant water transfer modeling. The model is different from previous SPAC models in which v-SPAC uses (1) a dynamic plant resistance system in the form of a vulnerability curve that can be easily obtained from sap flow and stem xylem water potential time series and (2) a plant capacitance parameter to buffer the effects of transpiration on root water uptake. The unique representation of root resistance and capacitance allows the model to embrace SPAC hydraulic pathway from bulk soil, to soil-root interface, to root xylem, and finally to stem xylem where the xylem water potential is measured. The v-SPAC model was tested on a native tree species in Australia, Eucalyptus crenulata saplings, with controlled drought treatment. To further validate the robustness of the v-SPAC model, it was compared against a soil-focused SPAC model, LEACHM. The v-SPAC model simulation results closely matched the observed sap flow and stem water potential time series, as well as the soil moisture variation of the experiment. The v-SPAC model was found to be more accurate in predicting measured data than the LEACHM model, underscoring the importance of incorporating root resistance into SPAC models and the benefit of integrating plant measurements to constrain SPAC modeling.

Biophysically based mathematical modeling of interstitial cells of Cajal slow wave activity generated from a discrete unitary potential basis.

PubMed

Faville, R A; Pullan, A J; Sanders, K M; Koh, S D; Lloyd, C M; Smith, N P

2009-06-17

Spontaneously rhythmic pacemaker activity produced by interstitial cells of Cajal (ICC) is the result of the entrainment of unitary potential depolarizations generated at intracellular sites termed pacemaker units. In this study, we present a mathematical modeling framework that quantitatively represents the transmembrane ion flows and intracellular Ca2+ dynamics from a single ICC operating over the physiological membrane potential range. The mathematical model presented here extends our recently developed biophysically based pacemaker unit modeling framework by including mechanisms necessary for coordinating unitary potential events, such as a T-Type Ca2+ current, Vm-dependent K+ currents, and global Ca2+ diffusion. Model simulations produce spontaneously rhythmic slow wave depolarizations with an amplitude of 65 mV at a frequency of 17.4 cpm. Our model predicts that activity at the spatial scale of the pacemaker unit is fundamental for ICC slow wave generation, and Ca2+ influx from activation of the T-Type Ca2+ current is required for unitary potential entrainment. These results suggest that intracellular Ca2+ levels, particularly in the region local to the mitochondria and endoplasmic reticulum, significantly influence pacing frequency and synchronization of pacemaker unit discharge. Moreover, numerical investigations show that our ICC model is capable of qualitatively replicating a wide range of experimental observations.

A GIS model predicting potential distributions of a lineage: a test case on hermit spiders (Nephilidae: Nephilengys).

PubMed

Năpăruş, Magdalena; Kuntner, Matjaž

2012-01-01

Although numerous studies model species distributions, these models are almost exclusively on single species, while studies of evolutionary lineages are preferred as they by definition study closely related species with shared history and ecology. Hermit spiders, genus Nephilengys, represent an ecologically important but relatively species-poor lineage with a globally allopatric distribution. Here, we model Nephilengys global habitat suitability based on known localities and four ecological parameters. We geo-referenced 751 localities for the four most studied Nephilengys species: N. cruentata (Africa, New World), N. livida (Madagascar), N. malabarensis (S-SE Asia), and N. papuana (Australasia). For each locality we overlaid four ecological parameters: elevation, annual mean temperature, annual mean precipitation, and land cover. We used linear backward regression within ArcGIS to select two best fit parameters per species model, and ModelBuilder to map areas of high, moderate and low habitat suitability for each species within its directional distribution. For Nephilengys cruentata suitable habitats are mid elevation tropics within Africa (natural range), a large part of Brazil and the Guianas (area of synanthropic spread), and even North Africa, Mediterranean, and Arabia. Nephilengys livida is confined to its known range with suitable habitats being mid-elevation natural and cultivated lands. Nephilengys malabarensis, however, ranges across the Equator throughout Asia where the model predicts many areas of high ecological suitability in the wet tropics. Its directional distribution suggests the species may potentially spread eastwards to New Guinea where the suitable areas of N. malabarensis largely surpass those of the native N. papuana, a species that prefers dry forests of Australian (sub)tropics. Our model is a customizable GIS tool intended to predict current and future potential distributions of globally distributed terrestrial lineages. Its predictive potential may be tested in foreseeing species distribution shifts due to habitat destruction and global climate change.

A GIS Model Predicting Potential Distributions of a Lineage: A Test Case on Hermit Spiders (Nephilidae: Nephilengys)

PubMed Central

Năpăruş, Magdalena; Kuntner, Matjaž

2012-01-01

Background Although numerous studies model species distributions, these models are almost exclusively on single species, while studies of evolutionary lineages are preferred as they by definition study closely related species with shared history and ecology. Hermit spiders, genus Nephilengys, represent an ecologically important but relatively species-poor lineage with a globally allopatric distribution. Here, we model Nephilengys global habitat suitability based on known localities and four ecological parameters. Methodology/Principal Findings We geo-referenced 751 localities for the four most studied Nephilengys species: N. cruentata (Africa, New World), N. livida (Madagascar), N. malabarensis (S-SE Asia), and N. papuana (Australasia). For each locality we overlaid four ecological parameters: elevation, annual mean temperature, annual mean precipitation, and land cover. We used linear backward regression within ArcGIS to select two best fit parameters per species model, and ModelBuilder to map areas of high, moderate and low habitat suitability for each species within its directional distribution. For Nephilengys cruentata suitable habitats are mid elevation tropics within Africa (natural range), a large part of Brazil and the Guianas (area of synanthropic spread), and even North Africa, Mediterranean, and Arabia. Nephilengys livida is confined to its known range with suitable habitats being mid-elevation natural and cultivated lands. Nephilengys malabarensis, however, ranges across the Equator throughout Asia where the model predicts many areas of high ecological suitability in the wet tropics. Its directional distribution suggests the species may potentially spread eastwards to New Guinea where the suitable areas of N. malabarensis largely surpass those of the native N. papuana, a species that prefers dry forests of Australian (sub)tropics. Conclusions Our model is a customizable GIS tool intended to predict current and future potential distributions of globally distributed terrestrial lineages. Its predictive potential may be tested in foreseeing species distribution shifts due to habitat destruction and global climate change. PMID:22238692

Modelling particles moving in a potential field with pairwise interactions and an application

Treesearch

D. R. Brillinger; Haiganoush Preisler; M. J. Wisdom

2011-01-01

Motions of particles in fields characterized by real-valued potential functions, are considered. Three particular expressions for potential functions are studied. One, U, depends on the ith particle’s location, ri(t) at times t

An Approach to Modeling the Water Balance Sensitivity to Landscape Vegetation Changes

NASA Astrophysics Data System (ADS)

Mohammed, I. N.; Tarboton, D. G.

2008-12-01

Watershed development and management require an understanding of how hydrological processes affect water balance components. The study of water resources management, especially in Western United States, is currently motivated by climate change, the impact of vegetation cover change on water production, and the need to manage water supplies. Vegetation management and its relation to runoff has been well documented, as reduction of forest cover, reducing evapotranspiration, increases water yield and in contrast the establishment of forest cover on sparsely vegetated land, increasing evapotranspiration, deceases water yield. This paper presents a water balance model developed to quantify the sensitivity of runoff production to changes in vegetation based on differences in evapotranspiration from different land cover types. The model is intended to provide a simple framework for estimating long term yield changes due to managed vegetation change. The model assumes that relative potential evapotranspiration from specific land cover can be quantified by a set of potential evapotranspiration coefficients for each land cover type. The model uses the Budyko curve to partition precipitation into evapotranspiration and runoff over the long term. Potential evapotranspiration is estimated from the Budyko curve for present conditions, then adjusted for land cover changes using the relative potential evapotranspiration coefficients for each land cover type. The adjusted potential evapotranspiration is then partitioned using the Budyko curve to provide estimates of long term runoff and evapotranspiration for the changed conditions. We found that the changes in runoff were in general close to being linearly proportional to the changes in land cover. In Utah study watersheds, reducing 50% of the present coniferous forests resulted in runoff increase that ranged from 0.5 to 38 mm/year, while the transition of 50% of area present as range/shrub/other to forest resulted in runoff decrease that ranged from 3.8 to 37 mm/year. The model helps to evaluate long term runoff production sensitivities to vegetation changes and answer, in a broad sense without requiring detailed information or modeling, how much runoff production could potentially be changed through vegetation management. The theoretical approach taken in this study is simple and general and could be applied to a wide range of watersheds.

Scaffolding Learning by Modelling: The Effects of Partially Worked-out Models

ERIC Educational Resources Information Center

Mulder, Yvonne G.; Bollen, Lars; de Jong, Ton; Lazonder, Ard W.

2016-01-01

Creating executable computer models is a potentially powerful approach to science learning. Learning by modelling is also challenging because students can easily get overwhelmed by the inherent complexities of the task. This study investigated whether offering partially worked-out models can facilitate students' modelling practices and promote…

Rotational strength of dye-helix complexes as studied by a potential model theory

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1988-03-01

The fundamental features of the induced optical activity in dye-helix complexes are clarified by the trap potential model. The effect of the potential depth on the induced rotational strength is explained in terms of the relative magnitudes of the wave-phase and helix-phase variations in the path of an electron moving along a restricted helix segment just like an exciton trapped around a dye intercalation site. The potential parameters have been optimized so as to reproduce the ionic strength effect upon the rotational strengths induced in proflavine-DNA intercalation complexes.

EXPERIMENTAL MODELS FOR THE STUDY OF ORAL CLEFTS

EPA Science Inventory

Toxicology and teratology studies routinely utilize animal models to determine the potential for chemical and physical agents to produce reproductive and developmental toxicity, including birth defects such as cleft palate. The standardized teratology screen typically tests co...

Chaos in pseudo-Newtonian black holes with halos

NASA Astrophysics Data System (ADS)

Guéron, E.; Letelier, P. S.

2001-03-01

Newtonian as well as special relativistic dynamics are used to study the stability of orbits of a test particle moving around a black hole with a dipolar halo. The black hole is modeled by either the usual monopole potential or the Paczyńki-Wiita pseudo-Newtonian potential. The full general relativistic similar case is also considered. The Poincaré section method and the Lyapunov characteristic exponents show that the orbits for the pseudo-Newtonian potential models are more unstable than the corresponding general relativistic geodesics.

Improvement of bioavailability and anti-inflammatory potential of curcumin in combination with emu oil.

PubMed

Jeengar, Manish Kumar; Shrivastava, Shweta; Nair, Kala; Singareddy, Sreenivasa Reddy; Putcha, Uday Kumar; Talluri, M V N Kumar; Naidu, V G M; Sistla, Ramakrishna

2014-12-01

The purpose of the present study is to evaluate the effect of emu oil on bioavailability of curcumin when co-administered and to evaluate the property that enhances the anti-inflammatory potential of curcumin. Oral bioavailability of curcumin in combination with emu oil was determined by measuring the plasma concentration of curcumin by HPLC. The anti-inflammatory potential was evaluated in carrageenan-induced paw edema model (acute model) and in Freund's complete adjuvant (FCA)-induced arthritis model (chronic model) in male SD rats. The anti-inflammatory potential of curcumin in combination with emu oil has been significantly increased in both acute and chronic inflammatory models as evident from inhibition of increase in paw volume, arthritic score, and expression of pro-inflammatory cytokines. The increased anti-inflammatory activity in combination therapy is due to enhanced bioavailability (5.2-fold compared to aqueous suspension) of curcumin by emu oil. Finally, it is concluded that the combination of emu oil with curcumin will be a promising approach for the treatment of arthritis.

Chaplygin gas inspired scalar fields inflation via well-known potentials

NASA Astrophysics Data System (ADS)

Jawad, Abdul; Butt, Sadaf; Rani, Shamaila

2016-08-01

Brane inflationary universe models in the context of modified Chaplygin gas and generalized cosmic Chaplygin gas are being studied. We develop these models in view of standard scalar and tachyon fields. In both models, the implemented inflationary parameters such as scalar and tensor power spectra, scalar spectral index and tensor to scalar ratio are derived under slow roll approximations. We also use chaotic and exponential potential in high energy limits and discuss the characteristics of inflationary parameters for both potentials. These models are compatible with recent astronomical observations provided by WMAP7{+}9 and Planck data, i.e., ηs=1.027±0.051, 1.009±0.049, 0.096±0.025 and r<0.38, 0.36, 0.11.

Rasch analysis indicates that the Simple Shoulder Test is robust, but minor item modifications and attention to gender differences should be considered.

PubMed

Raman, Jayaprakash; MacDermid, Joy C; Walton, David; Athwal, George S

Repeated cross-sectional study. Multiple studies have evaluated the psychometric properties of the Simple Shoulder Test (SST) through traditional methods supporting it as valid and reliable. Since the evidentiary pool supporting the use of the SST has only partially addressed key measurement properties and the development of SST pre-dates the common use of Rasch model, validation of SST has become a necessity to establish as a reliable and valid PRO for shoulder conditions. To date, no study has analysed SST through Rasch, a modern method for analyzing properties of measurement tools. The purpose of this study was to perform a Rasch analysis of the SST to assess the overall fit to the Rasch model, individual item fit, gender-based DIF, local dependency of items and the unidimensionality of the scale. A secondary purpose was to determine the stability of fit to the Rasch model when captured pre-operatively or post-operatively. Patients completed SST before surgery and between 6 months and 1 year after surgery. Rasch analysis was performed to analyse the carious properties of SST through the Rasch model. SST appears to be robust when tested against the Rasch model. Rasch analysis has highlighted potential areas for to improve in the SST questionnaire. The potential areas to improve are to consider questions that measure the ability of a person to lift the arm above shoulder level and to consider gender differences when measuring the ability to carry weights with the affected arm. This study adds to previous body of empirical evidence arising classical measurement approaches that have suggested that the SST has robust measurement properties, by providing evidence of adequate fit to the Rasch model after minor adjustments. The results of this study should provide confidence to clinicians on SST who wish to use a brief shoulder-specific measure in their practice. The SST appears to be robust when tested against the Rasch model despite some potential areas for improvement. The potential areas that should be explored in future Rasch analyses are the questions that measure the ability of a person to lift the arm above shoulder level and the potential for gender differences when measuring the ability to carry weights with the affected arm. Copyright © 2017 Hanley & Belfus. Published by Elsevier Inc. All rights reserved.

Full three-body problem in effective-field-theory models of gravity

NASA Astrophysics Data System (ADS)

Battista, Emmanuele; Esposito, Giampiero

2014-10-01

Recent work in the literature has studied the restricted three-body problem within the framework of effective-field-theory models of gravity. This paper extends such a program by considering the full three-body problem, when the Newtonian potential is replaced by a more general central potential which depends on the mutual separations of the three bodies. The general form of the equations of motion is written down, and they are studied when the interaction potential reduces to the quantum-corrected central potential considered recently in the literature. A recursive algorithm is found for solving the associated variational equations, which describe small departures from given periodic solutions of the equations of motion. Our scheme involves repeated application of a 2×2 matrix of first-order linear differential operators.

Scaling Limit for a Generalization of the Nelson Model and its Application to Nuclear Physics

NASA Astrophysics Data System (ADS)

Suzuki, Akito

We study a mathematically rigorous derivation of a quantum mechanical Hamiltonian in a general framework. We derive such a Hamiltonian by taking a scaling limit for a generalization of the Nelson model, which is an abstract interaction model between particles and a Bose field with some internal degrees of freedom. Applying it to a model for the field of the nuclear force with isospins, we obtain a Schrödinger Hamiltonian with a matrix-valued potential, the one pion exchange potential, describing an effective interaction between nucleons.

Stability analysis in tachyonic potential chameleon cosmology

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

Farajollahi, H.; Salehi, A.; Tayebi, F.

2011-05-01

We study general properties of attractors for tachyonic potential chameleon scalar-field model which possess cosmological scaling solutions. An analytic formulation is given to obtain fixed points with a discussion on their stability. The model predicts a dynamical equation of state parameter with phantom crossing behavior for an accelerating universe. We constrain the parameters of the model by best fitting with the recent data-sets from supernovae and simulated data points for redshift drift experiment generated by Monte Carlo simulations.

A Modeling Investigation of Thermal and Strain Induced Recovery and Nonlinear Hardening in Potential Based Viscoplasticity

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Saleeb, A. F.; Wilt, T. E.

1993-01-01

Specific forms for both the Gibb's and the complementary dissipation potentials were chosen such that a complete potential based multiaxial, isothermal, viscoplastic model was obtained. This model in general possesses three internal state variables (two scalars associated with dislocation density and one tensor associated with dislocation motion) both thermal and dynamic recovery mechanisms, and nonlinear kinematic hardening. This general model, although possessing associated flow and evolutionary laws, is shown to emulate three distinct classes of theories found in the literature, by modification of the driving threshold function F. A parametric study was performed on a specialized nondimensional multiaxial form containing only a single tensorial internal state variable (i.e., internal stress). The study was conducted with the idea of examining the impact of including a strain-induced recovery mechanism and the compliance operator, derived from the Gibb's potential, on the uniaxial and multiaxial response. One important finding was that inclusion of strain recovery provided the needed flexibility in modeling stress-strain and creep response of metals at low homologous temperatures, without adversely affecting the high temperature response. Furthermore, for nonproportional loading paths, the inclusion of the compliance operator had a significant influence on the multiaxial response, but had no influence on either uniaxial or proportional load histories.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model.

PubMed

Neic, Aurel; Campos, Fernando O; Prassl, Anton J; Niederer, Steven A; Bishop, Martin J; Vigmond, Edward J; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Efficient computation of electrograms and ECGs in human whole heart simulations using a reaction-eikonal model

NASA Astrophysics Data System (ADS)

Neic, Aurel; Campos, Fernando O.; Prassl, Anton J.; Niederer, Steven A.; Bishop, Martin J.; Vigmond, Edward J.; Plank, Gernot

2017-10-01

Anatomically accurate and biophysically detailed bidomain models of the human heart have proven a powerful tool for gaining quantitative insight into the links between electrical sources in the myocardium and the concomitant current flow in the surrounding medium as they represent their relationship mechanistically based on first principles. Such models are increasingly considered as a clinical research tool with the perspective of being used, ultimately, as a complementary diagnostic modality. An important prerequisite in many clinical modeling applications is the ability of models to faithfully replicate potential maps and electrograms recorded from a given patient. However, while the personalization of electrophysiology models based on the gold standard bidomain formulation is in principle feasible, the associated computational expenses are significant, rendering their use incompatible with clinical time frames. In this study we report on the development of a novel computationally efficient reaction-eikonal (R-E) model for modeling extracellular potential maps and electrograms. Using a biventricular human electrophysiology model, which incorporates a topologically realistic His-Purkinje system (HPS), we demonstrate by comparing against a high-resolution reaction-diffusion (R-D) bidomain model that the R-E model predicts extracellular potential fields, electrograms as well as ECGs at the body surface with high fidelity and offers vast computational savings greater than three orders of magnitude. Due to their efficiency R-E models are ideally suitable for forward simulations in clinical modeling studies which attempt to personalize electrophysiological model features.

Development of AHPDST Vulnerability Indexing Model for Groundwater Vulnerability Assessment Using Hydrogeophysical Derived Parameters and GIS Application

NASA Astrophysics Data System (ADS)

Mogaji, K. A.

2017-04-01

Producing a bias-free vulnerability assessment map model is significantly needed for planning a scheme of groundwater quality protection. This study developed a GIS-based AHPDST vulnerability index model for producing groundwater vulnerability model map in the hard rock terrain, Nigeria by exploiting the potentials of analytic hierarchy process (AHP) and Dempster-Shafer theory (DST) data mining models. The acquired borehole and geophysical data in the study area were processed to derive five groundwater vulnerability conditioning factors (GVCFs), namely recharge rate, aquifer transmissivity, hydraulic conductivity, transverse resistance and longitudinal conductance. The produced GVCFs' thematic maps were multi-criterially analyzed by employing the mechanisms of AHP and DST models to determine the normalized weight ( W) parameter for the GVCFs and mass function factors (MFFs) parameter for the GVCFs' thematic maps' class boundaries, respectively. Based on the application of the weighted linear average technique, the determined W and MFFs parameters were synthesized to develop groundwater vulnerability potential index (GVPI)-based AHPDST model algorithm. The developed model was applied to establish four GVPI mass/belief function indices. The estimates based on the applied GVPI belief function indices were processed in GIS environment to create prospective groundwater vulnerability potential index maps. The most representative of the resulting vulnerability maps (the GVPIBel map) was considered for producing the groundwater vulnerability potential zones (GVPZ) map for the area. The produced GVPZ map established 48 and 52% of the areal extent to be covered by the lows/moderate and highs vulnerable zones, respectively. The success and the prediction rates of the produced GVPZ map were determined using the relative operating characteristics technique to give 82.3 and 77.7%, respectively. The analyzed results reveal that the developed GVPI-based AHPDST model algorithm is capable of producing efficient groundwater vulnerability potential zones prediction map and characterizing the predicted zones uncertainty via the DST mechanism processes in the area. The produced GVPZ map in this study can be used by decision makers to formulate appropriate groundwater management strategies and the approach may be well opted in other hard rock regions of the world, especially in economically poor nations.

Search for heavy right-handed neutrinos at the LHC and beyond in the same-sign same-flavor leptons final state

NASA Astrophysics Data System (ADS)

Ng, John N.; de la Puente, Alejandro; Pan, Bob Wei-Ping

2015-12-01

In this study we explore the LHC's Run II potential to the discovery of heavy Majorana neutrinos, with luminosities between 30 and 3000 fb-1 in the l ± l ± j j final state. Given that there exist many models for neutrino mass generation, even within the Type I seesaw framework, we use a simplified model approach and study two simple extensions to the Standard Model, one with a single heavy Majorana neutrino, singlet under the Standard Model gauge group, and a limiting case of the left-right symmetric model. We then extend the analysis to a future hadron collider running at 100 TeV center of mass energies. This extrapolation in energy allows us to study the relative importance of the resonant production versus gauge boson fusion processes in the study of Majorana neutrinos at hadron colliders. We analyze and propose different search strategies designed to maximize the discovery potential in either the resonant production or the gauge boson fusion modes.

Automatic Parametrization of Somatosensory Evoked Potentials With Chirp Modeling.

PubMed

Vayrynen, Eero; Noponen, Kai; Vipin, Ashwati; Thow, X Y; Al-Nashash, Hasan; Kortelainen, Jukka; All, Angelo

2016-09-01

In this paper, an approach using polynomial phase chirp signals to model somatosensory evoked potentials (SEPs) is proposed. SEP waveforms are assumed as impulses undergoing group velocity dispersion while propagating along a multipath neural connection. Mathematical analysis of pulse dispersion resulting in chirp signals is performed. An automatic parameterization of SEPs is proposed using chirp models. A Particle Swarm Optimization algorithm is used to optimize the model parameters. Features describing the latencies and amplitudes of SEPs are automatically derived. A rat model is then used to evaluate the automatic parameterization of SEPs in two experimental cases, i.e., anesthesia level and spinal cord injury (SCI). Experimental results show that chirp-based model parameters and the derived SEP features are significant in describing both anesthesia level and SCI changes. The proposed automatic optimization based approach for extracting chirp parameters offers potential for detailed SEP analysis in future studies. The method implementation in Matlab technical computing language is provided online.

Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels.

PubMed

Van Theemsche, Achim; Deconinck, Johan; Van den Bossche, Bart; Bortels, Leslie

2002-10-01

A new more general numerical model for the simulation of electrokinetic flow in rectangular microchannels is presented. The model is based on the dilute solution model and the Navier-Stokes equations and has been implemented in a finite-element-based C++ code. The model includes the ion distribution in the Helmholtz double layer and considers only one single electrical' potential field variable throughout the domain. On a charged surface(s) the surface charge density, which is proportional to the local electrical field, is imposed. The zeta potential results, then, from this boundary condition and depends on concentrations, temperature, ion valence, molecular diffusion coefficients, and geometric conditions. Validation cases show that the model predicts accurately known analytical results, also for geometries having dimensions comparable to the Debye length. As a final study, the electro-osmotic flow in a controlled cross channel is investigated.

Effect of the electronegativity on the electrosorption selectivity of anions during capacitive deionization.

PubMed

Sun, Zhumei; Chai, Liyuan; Liu, Mingshi; Shu, Yude; Li, Qingzhu; Wang, Yunyan; Qiu, Dingfan

2018-03-01

The effect of electronegativity on the electrosorption selectivity of anions during capacitive deionization was investigated via a combination of experimental and theoretical studies. A model was developed based on chemical thermodynamics and the classic Stern's model to reveal the role of the anode potential and to describe electrosorption selectivity behavior during capacitive deionization. The effects of the anode potential on the adsorption of Cl - and ReO 4 - were studied and the obtained data were used to validate the model. Using the validated model, the effects of the anode potential and electronegativity of various anions, including Cl - , ReO 4 - , SO 4 2- and NO 3 - were assessed. The experimental results for the electrosorption of Cl - and ReO 4 - corresponded well with the developed model. The electrosorption capacity demonstrates a logarithmic relationship with the anode potential. The model showed that the electronegativity significantly affects the selectivity. In a mixed Cl - , ReO 4 - , SO 4 2- and NO 3 - solution, ReO 4 - was preferentially adsorbed over the other three anions, and the following selectivity was exhibited: ReO 4 -  > NO 3 -  > Cl -  > SO 4 2- . The results showed that the effect of flow rates on the electrosorption selectivity can be considered negligible when the flow rates are higher than 112 mL min -1 . The anions selectivity can be further enhanced by increasing the anode potential, and electrosorption selectivity is no appreciable decline after 6 experiments. Copyright © 2017 Elsevier Ltd. All rights reserved.

Causal modeling in international migration research: a methodological prolegomenon.

PubMed

Papademetriou, D G; Hopple, G W

1982-10-01

The authors examine the value of using models to study the migration process. In particular, they demonstrate the potential utility of a partial least squares modeling approach to the causal analysis of international migration.

Out-of-Position Rear Impact Tissue-Level Investigation Using Detailed Finite Element Neck Model.

PubMed

Shateri, Hamed; Cronin, Duane S

2015-01-01

Whiplash injuries can occur in automotive crashes and may cause long-term health issues such as neck pain, headache, and visual and auditory disturbance. Evidence suggests that nonneutral head posture can significantly increase the potential for injury in a given impact scenario, but epidemiological and experimental data are limited and do not provide a quantitative assessment of the increased potential for injury. Although there have been some attempts to evaluate this important issue using finite element models, none to date have successfully addressed this complex problem. An existing detailed finite element neck model was evaluated in nonneutral positions and limitations were identified, including musculature implementation and attachment, upper cervical spine kinematics in axial rotation, prediction of ligament failure, and the need for repositioning the model while incorporating initial tissue strains. The model was enhanced to address these issues and an iterative procedure was used to determine the upper cervical spine ligament laxities. The neck model was revalidated using neutral position impacts and compared to an out-of-position cadaver experiment in the literature. The effects of nonneutral position (axial head rotation) coupled with muscle activation were studied at varying impact levels. The laxities for the ligaments of the upper cervical spine were determined using 4 load cases and resulted in improved response and predicted failure loads relative to experimental data. The predicted head response from the model was similar to an experimental head-turned bench-top rear impact experiment. The parametric study identified specific ligaments with increased distractions due to an initial head-turned posture and the effect of active musculature leading to reduced ligament distractions. The incorporation of ligament laxity in the upper cervical spine was essential to predict range of motion and traumatic response, particularly for repositioning of the neck model prior to impact. The results of this study identify a higher potential for injury in out-of-position rear collisions and identified at-risk locations based on ligament distractions. The model predicted higher potential for injury by as much as 50% based on ligament distraction for the out-of-position posture and reduced potential for injury with muscle activation. Importantly, this study demonstrated that the location of injury or pain depends on the initial occupant posture, so that both the location of injury and kinematic threshold may vary when considering common head positions while driving.

Household water use and conservation models using Monte Carlo techniques

NASA Astrophysics Data System (ADS)

Cahill, R.; Lund, J. R.; DeOreo, B.; Medellín-Azuara, J.

2013-10-01

The increased availability of end use measurement studies allows for mechanistic and detailed approaches to estimating household water demand and conservation potential. This study simulates water use in a single-family residential neighborhood using end-water-use parameter probability distributions generated from Monte Carlo sampling. This model represents existing water use conditions in 2010 and is calibrated to 2006-2011 metered data. A two-stage mixed integer optimization model is then developed to estimate the least-cost combination of long- and short-term conservation actions for each household. This least-cost conservation model provides an estimate of the upper bound of reasonable conservation potential for varying pricing and rebate conditions. The models were adapted from previous work in Jordan and are applied to a neighborhood in San Ramon, California in the eastern San Francisco Bay Area. The existing conditions model produces seasonal use results very close to the metered data. The least-cost conservation model suggests clothes washer rebates are among most cost-effective rebate programs for indoor uses. Retrofit of faucets and toilets is also cost-effective and holds the highest potential for water savings from indoor uses. This mechanistic modeling approach can improve understanding of water demand and estimate cost-effectiveness of water conservation programs.

Cognitive Effects of Air Pollution Exposures and Potential Mechanistic Underpinnings

PubMed Central

Allen, J.L.; Klocke, C.; Morris-Schaffer, K.; Conrad, K.; Sobolewski, M.; Cory-Slechta, D.A.

2017-01-01

Purpose of review This review sought to address the potential for air pollutants to impair cognition and mechanisms by which that might occur. Recent findings Air pollution has been associated with deficits in cognitive functions across a wide range of epidemiological studies, both with developmental and adult exposures. Studies in animal models are significantly more limited in number, with somewhat inconsistent findings to date for measures of learning, but show more consistent impairments for short term memory. Potential contributory mechanisms include oxidative stress/inflammation, altered levels of dopamine and/or glutamate and changes in synaptic plasticity/structure. Summary Epidemiological studies are consistent with adverse effects of air pollutants on cognition, but additional studies and better phenotypic characterization are needed for animal models, including more precise delineation of specific components of cognition that are affected, as well as definitions of critical exposure periods for such effects and the components of air pollution responsible. This would permit development of more circumscribed hypotheses as to potential behavioral and neurobiological mechanisms. PMID:28435996

Frequency-Dependent Selection: The High Potential for Permanent Genetic Variation in the Diallelic, Pairwise Interaction Model

PubMed Central

Asmussen, M. A.; Basnayake, E.

1990-01-01

A detailed analytic and numerical study is made of the potential for permanent genetic variation in frequency-dependent models based on pairwise interactions among genotypes at a single diallelic locus. The full equilibrium structure and qualitative gene-frequency dynamics are derived analytically for a symmetric model, in which pairwise fitnesses are chiefly determined by the genetic similarity of the individuals involved. This is supplemented by an extensive numerical investigation of the general model, the symmetric model, and nine other special cases. Together the results show that there is a high potential for permanent genetic diversity in the pairwise interaction model, and provide insight into the extent to which various forms of genotypic interactions enhance or reduce this potential. Technically, although two stable polymorphic equilibria are possible, the increased likelihood of maintaining both alleles, and the poor performance of protected polymorphism conditions as a measure of this likelihood, are primarily due to a greater variety and frequency of equilibrium patterns with one stable polymorphic equilibrium, in conjunction with a disproportionately large domain of attraction for stable internal equilibria. PMID:2341034

ROTAS: a rotamer-dependent, atomic statistical potential for assessment and prediction of protein structures.

PubMed

Park, Jungkap; Saitou, Kazuhiro

2014-09-18

Multibody potentials accounting for cooperative effects of molecular interactions have shown better accuracy than typical pairwise potentials. The main challenge in the development of such potentials is to find relevant structural features that characterize the tightly folded proteins. Also, the side-chains of residues adopt several specific, staggered conformations, known as rotamers within protein structures. Different molecular conformations result in different dipole moments and induce charge reorientations. However, until now modeling of the rotameric state of residues had not been incorporated into the development of multibody potentials for modeling non-bonded interactions in protein structures. In this study, we develop a new multibody statistical potential which can account for the influence of rotameric states on the specificity of atomic interactions. In this potential, named "rotamer-dependent atomic statistical potential" (ROTAS), the interaction between two atoms is specified by not only the distance and relative orientation but also by two state parameters concerning the rotameric state of the residues to which the interacting atoms belong. It was clearly found that the rotameric state is correlated to the specificity of atomic interactions. Such rotamer-dependencies are not limited to specific type or certain range of interactions. The performance of ROTAS was tested using 13 sets of decoys and was compared to those of existing atomic-level statistical potentials which incorporate orientation-dependent energy terms. The results show that ROTAS performs better than other competing potentials not only in native structure recognition, but also in best model selection and correlation coefficients between energy and model quality. A new multibody statistical potential, ROTAS accounting for the influence of rotameric states on the specificity of atomic interactions was developed and tested on decoy sets. The results show that ROTAS has improved ability to recognize native structure from decoy models compared to other potentials. The effectiveness of ROTAS may provide insightful information for the development of many applications which require accurate side-chain modeling such as protein design, mutation analysis, and docking simulation.

Ionization potential depression in an atomic-solid-plasma picture

NASA Astrophysics Data System (ADS)

Rosmej, F. B.

2018-05-01

Exotic solid density matter such as heated hollow crystals allow extended material studies while their physical properties and models such as the famous ionization potential depression are presently under renewed controversial discussion. Here we develop an atomic-solid-plasma (ASP) model that permits ionization potential depression studies also for single and multiple core hole states. Numerical calculations show very good agreement with recently available data not only in absolute values but also for Z-scaled properties while currently employed methods fail. For much above solid density compression, the ASP model predicts increased K-edge energies that are related to a Fermi surface rising. This is in good agreement with recent quantum molecular dynamics simulations. For hot dense matter a quantum number dependent optical electron finite temperature ion sphere model is developed that fits well with line shift and line disappearance data from dense laser produced plasma experiments. Finally, the physical transparency of the ASP picture allows a critical discussion of current methods.

Diet composition as a source of variation in experimental animal models of cancer cachexia.

PubMed

Giles, Kaitlin; Guan, Chen; Jagoe, Thomas R; Mazurak, Vera

2016-05-01

A variety of experimental animal models are used extensively to study mechanisms underlying cancer cachexia, and to identify potential treatments. The important potential confounding effect of dietary composition and intake used in many preclinical studies of cancer cachexia is frequently overlooked. Dietary designs applied in experimental studies should maximize the applicability to human cancer cachexia, meeting the essential requirements of the species used in the study, matched between treatment and control groups as well as also being generally similar to human consumption. A literature review of scientific studies using animal models of cancer and cancer cachexia with dietary interventions was performed. Studies that investigated interventions using lipid sources were selected as the focus of discussion. The search revealed a number of nutrient intervention studies (n = 44), with the majority including n-3 fatty acids (n = 16), mainly eicosapentaenoic acid and/or docosahexaenoic acid. A review of the literature revealed that the majority of studies do not provide information about dietary design; food intake or pair-feeding is rarely reported. Further, there is a lack of standardization in dietary design, content, source, and overall composition in animal models of cancer cachexia. A model is proposed with the intent of guiding dietary design in preclinical studies to enable comparisons of dietary treatments within the same study, translation across different study designs, as well as application to human nutrient intakes. The potential for experimental endpoints to be affected by variations in food intake, macronutrient content, and diet composition is likely. Diet content and composition should be reported, and food intake assessed. Minimum standards for diet definition in cachexia studies would improve reproducibility of pre-clinical studies and aid the interpretation and translation of results to humans with cancer.

Diet composition as a source of variation in experimental animal models of cancer cachexia

PubMed Central

Giles, Kaitlin; Guan, Chen; Jagoe, Thomas R.

2015-01-01

Abstract Background A variety of experimental animal models are used extensively to study mechanisms underlying cancer cachexia, and to identify potential treatments. The important potential confounding effect of dietary composition and intake used in many preclinical studies of cancer cachexia is frequently overlooked. Dietary designs applied in experimental studies should maximize the applicability to human cancer cachexia, meeting the essential requirements of the species used in the study, matched between treatment and control groups as well as also being generally similar to human consumption. Methods A literature review of scientific studies using animal models of cancer and cancer cachexia with dietary interventions was performed. Studies that investigated interventions using lipid sources were selected as the focus of discussion. Results The search revealed a number of nutrient intervention studies (n = 44), with the majority including n‐3 fatty acids (n = 16), mainly eicosapentaenoic acid and/or docosahexaenoic acid. A review of the literature revealed that the majority of studies do not provide information about dietary design; food intake or pair‐feeding is rarely reported. Further, there is a lack of standardization in dietary design, content, source, and overall composition in animal models of cancer cachexia. A model is proposed with the intent of guiding dietary design in preclinical studies to enable comparisons of dietary treatments within the same study, translation across different study designs, as well as application to human nutrient intakes. Conclusion The potential for experimental endpoints to be affected by variations in food intake, macronutrient content, and diet composition is likely. Diet content and composition should be reported, and food intake assessed. Minimum standards for diet definition in cachexia studies would improve reproducibility of pre‐clinical studies and aid the interpretation and translation of results to humans with cancer. PMID:27493865

Primary Retinal Cultures as a Tool for Modeling Diabetic Retinopathy: An Overview

PubMed Central

Varano, Monica; Mallozzi, Cinzia; Gaddini, Lucia; Formisano, Giuseppe; Pricci, Flavia

2015-01-01

Experimental models of diabetic retinopathy (DR) have had a crucial role in the comprehension of the pathophysiology of the disease and the identification of new therapeutic strategies. Most of these studies have been conducted in vivo, in animal models. However, a significant contribution has also been provided by studies on retinal cultures, especially regarding the effects of the potentially toxic components of the diabetic milieu on retinal cell homeostasis, the characterization of the mechanisms on the basis of retinal damage, and the identification of potentially protective molecules. In this review, we highlight the contribution given by primary retinal cultures to the study of DR, focusing on early neuroglial impairment. We also speculate on possible themes into which studies based on retinal cell cultures could provide deeper insight. PMID:25688355

Simulation of Liquid Droplet in Air and on a Solid Surface

NASA Astrophysics Data System (ADS)

Launglucknavalai, Kevin

Although multiphase gas and liquid phenomena occurs widely in engineering problems, many aspects of multiphase interaction like within droplet dynamics are still not quantified. This study aims to qualify the Lattice Boltzmann (LBM) Interparticle Potential multiphase computational method in order to build a foundation for future multiphase research. This study consists of two overall sections. The first section in Chapter 2 focuses on understanding the LBM method and Interparticle Potential model. It outlines the LBM method and how it relates to macroscopic fluid dynamics. The standard form of LBM is obtained. The perturbation solution obtaining the Navier-Stokes equations from the LBM equation is presented. Finally, the Interparticle Potential model is incorporated into the numerical LBM method. The second section in Chapter 3 presents the verification and validation cases to confirm the behavior of the single-phase and multiphase LBM models. Experimental and analytical results are used briefly to compare with numerical results when possible using Poiseuille channel flow and flow over a cylinder. While presenting the numerical results, practical considerations like converting LBM scale variables to physical scale variables are considered. Multiphase results are verified using Laplaces law and artificial behaviors of the model are explored. In this study, a better understanding of the LBM method and Interparticle Potential model is gained. This allows the numerical method to be used for comparison with experimental results in the future and provides a better understanding of multiphase physics overall.

Projecting future grassland productivity to assess thesustainability of potential biofuel feedstock areas in theGreater Platte River Basin

USGS Publications Warehouse

Gu, Yingxin; Wylie, Bruce K.; Boyte, Stephen; Phuyal, Khem P.

2014-01-01

This study projects future (e.g., 2050 and 2099) grassland productivities in the Greater Platte River Basin (GPRB) using ecosystem performance (EP, a surrogate for measuring ecosystem productivity) models and future climate projections. The EP models developed from a previous study were based on the satellite vegetation index, site geophysical and biophysical features, and weather and climate drivers. The future climate data used in this study were derived from the National Center for Atmospheric Research Community Climate System Model 3.0 ‘SRES A1B’ (a ‘middle’ emissions path). The main objective of this study is to assess the future sustainability of the potential biofuel feedstock areas identified in a previous study. Results show that the potential biofuel feedstock areas (the more mesic eastern part of the GPRB) will remain productive (i.e., aboveground grassland biomass productivity >2750 kg ha−1 year−1) with a slight increasing trend in the future. The spatially averaged EPs for these areas are 3519, 3432, 3557, 3605, 3752, and 3583 kg ha−1 year−1 for current site potential (2000–2008 average), 2020, 2030, 2040, 2050, and 2099, respectively. Therefore, the identified potential biofuel feedstock areas will likely continue to be sustainable for future biofuel development. On the other hand, grasslands identified as having no biofuel potential in the drier western part of the GPRB would be expected to stay unproductive in the future (spatially averaged EPs are 1822, 1691, 1896, 2306, 1994, and 2169 kg ha−1 year−1 for site potential, 2020, 2030, 2040, 2050, and 2099). These areas should continue to be unsuitable for biofuel feedstock development in the future. These future grassland productivity estimation maps can help land managers to understand and adapt to the expected changes in future EP in the GPRB and to assess the future sustainability and feasibility of potential biofuel feedstock areas.

Ion-rejection, electrokinetic and electrochemical properties of a nanoporous track-etched membrane and their interpretation by means of space charge model.

PubMed

Yaroshchuk, Andriy; Boiko, Yuriy; Makovetskiy, Alexandre

2009-08-18

Due to their straight cylindrical pores, nanoporous track-etched membranes are suitable materials for studies of the fundamentals of nanofluidics. In contrast to single nanochannels, the nano/micro interface, in this case, can be quantitatively considered within the scope of macroscopically 1D models. The pressure-induced changes in the concentration of dilute KCl solutions (salt rejection phenomenon) have been studied experimentally with a commercially available nanoporous track-etched membrane of poly (ethylene terephthalate) (pore diameter ca. 21 nm). Besides that, we have also studied the concomitant stationary transmembrane electrical phenomenon (filtration potential) and carried out time-resolved measurements of the electrical response to a rapid pressure switch-off (within 5-10 ms). The latter has enabled us to split the filtration potential into the streaming potential and membrane potential components. In this way, we could also confirm that the observed nonlinearity of filtration potential, as a function of the transmembrane volume flow, was primarily caused by the salt rejection. The results of experimental measurements have been interpreted by means of a space charge model with the surface charge density being a single fitting parameter (the pore size was estimated from the membrane hydraulic permeability). By using the surface charge density fitted to the salt rejection data, the results of electrical measurements could be reproduced theoretically with a typical accuracy of 10% or better. Taking into account the simplifications made in the modeling, this accuracy appears to be good and confirms the quantitative applicability of the basic concept of space charge model to the description of transport properties of dilute electrolyte solutions in nanochannels of ca. 20 nm.

Large-scale shell-model study of the Sn isotopes

NASA Astrophysics Data System (ADS)

Osnes, Eivind; Engeland, Torgeir; Hjorth-Jensen, Morten

2015-05-01

We summarize the results of an extensive study of the structure of the Sn isotopes using a large shell-model space and effective interactions evaluated from realistic two-nucleon potentials. For a fuller account, see ref. [1].

Integrating climatic and fuels information into National Fire Risk Decision Support Tools

Treesearch

W. Cooke; V. Anantharaj; C. Wax; J. Choi; K. Grala; M. Jolly; G.P. Dixon; J. Dyer; D.L. Evans; G.B. Goodrich

2007-01-01

The Wildland Fire Assessment System (WFAS) is a component of the U.S. Department of Agriculture, Forest Service Decision Support Systems (DSS) that support fire potential modeling. Fire potential models for Mississippi and for Eastern fire environments have been developed as part of a National Aeronautic and Space Agency-funded study aimed at demonstrating the utility...

Simulation of ridesourcing using agent-based demand and supply regional models : potential market demand for first-mile transit travel and reduction in vehicle miles traveled in the San Francisco Bay Area.

DOT National Transportation Integrated Search

2016-01-01

In this study, we use existing modeling tools and data from the San Francisco Bay Area : (California) to understand the potential market demand for a first mile transit access service : and possible reductions in vehicle miles traveled (VMT) (a...

What Is More Important for Fourth-Grade Primary School Students for Transforming Their Potential into Achievement: The Individual or the Environmental Box in Multidimensional Conceptions of Giftedness?

ERIC Educational Resources Information Center

Stoeger, Heidrun; Steinbach, Julia; Obergriesser, Stefanie; Matthes, Benjamin

2014-01-01

Multidimensional models of giftedness specify individual and environmental moderators or catalysts that help transform potential into achievement. However, these models do not state whether the importance of the "individual boxes" and the "environmental boxes" changes during this process. The present study examines whether,…

Long-term potential and actual evapotranspiration of two different forests on the Atlantic Coastal Plain

Treesearch

Devendra Amatya; S. Tian; Z. Dai; Ge Sun

2016-01-01

A reliable estimate of potential evapotranspiration (PET) for a forest ecosystem is critical in ecohydrologic modeling related with water supply, vegetation dynamics, and climate change and yet is a challenging task due to its complexity. Based on long-term on-site measured hydro-climatic data and predictions from earlier validated hydrologic modeling studies...

Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability

NASA Astrophysics Data System (ADS)

Nagai, Ryo; Akashi, Ryosuke; Sasaki, Shu; Tsuneyuki, Shinji

2018-06-01

We incorporate in the Kohn-Sham self-consistent equation a trained neural-network projection from the charge density distribution to the Hartree-exchange-correlation potential n → VHxc for a possible numerical approach to the exact Kohn-Sham scheme. The potential trained through a newly developed scheme enables us to evaluate the total energy without explicitly treating the formula of the exchange-correlation energy. With a case study of a simple model, we show that the well-trained neural-network VHxc achieves accuracy for the charge density and total energy out of the model parameter range used for the training, indicating that the property of the elusive ideal functional form of VHxc can approximately be encapsulated by the machine-learning construction. We also exemplify a factor that crucially limits the transferability—the boundary in the model parameter space where the number of the one-particle bound states changes—and see that this is cured by setting the training parameter range across that boundary. The training scheme and insights from the model study apply to more general systems, opening a novel path to numerically efficient Kohn-Sham potential.

Optimization of canopy conductance models from concurrent measurements of sap flow and stem water potential on Drooping Sheoak in South Australia

NASA Astrophysics Data System (ADS)

Wang, Hailong; Guan, Huade; Deng, Zijuan; Simmons, Craig T.

2014-07-01

Canopy conductance (gc) is a critical component in hydrological modeling for transpiration estimate. It is often formulated as functions of environmental variables. These functions are climate and vegetation specific. Thus, it is important to determine the appropriate functions in gc models and corresponding parameter values for a specific environment. In this study, sap flow, stem water potential, and microclimatic variables were measured for three Drooping Sheoak (Allocasuarina verticillata) trees in year 2011, 2012, and 2014. Canopy conductance was calculated from the inversed Penman-Monteith (PM) equation, which was then used to examine 36 gc models that comprise different response functions. Parameters were optimized using the DiffeRential Evolution Adaptive Metropolis (DREAM) model based on a training data set in 2012. Use of proper predawn stem water potential function, vapor pressure deficit function, and temperature function improves model performance significantly, while no pronounced difference is observed between models that differ in solar radiation functions. The best model gives a correlation coefficient of 0.97, and root-mean-square error of 0.0006 m/s in comparison to the PM-calculated gc. The optimized temperature function shows different characteristics from its counterparts in other similar studies. This is likely due to strong interdependence between air temperature and vapor pressure deficit in the study area or Sheoak tree physiology. Supported by the measurements and optimization results, we suggest that the effects of air temperature and vapor pressure deficit on canopy conductance should be represented together.

Screening a repurposing library for potentiators of antibiotics against Staphylococcus aureus biofilms.

PubMed

Van den Driessche, Freija; Brackman, Gilles; Swimberghe, Rosalie; Rigole, Petra; Coenye, Tom

2017-03-01

Staphylococcus aureus biofilms are involved in a wide range of infections that are extremely difficult to treat with conventional antibiotic therapy. We aimed to identify potentiators of antibiotics against mature biofilms of S. aureus Mu50, a methicillin-resistant and vancomycin-intermediate-resistant strain. Over 700 off-patent drugs from a repurposing library were screened in combination with vancomycin in a microtitre plate (MTP)-based biofilm model system. This led to the identification of 25 hit compounds, including four phenothiazines among which thioridazine was the most potent. Their activity was evaluated in combination with other antibiotics both against planktonic and biofilm-grown S. aureus cells. The most promising combinations were subsequently tested in an in vitro chronic wound biofilm infection model. Although no synergistic activity was observed against planktonic cells, thioridazine potentiated the activity of tobramycin, linezolid and flucloxacillin against S. aureus biofilm cells. However, this effect was only observed in a general biofilm model and not in a chronic wound model of biofilm infection. Several drug compounds were identified that potentiated the activity of vancomycin against biofilms formed in a MTP-based biofilm model. A selected hit compound lost its potentiating activity in a model that mimics specific aspects of wound biofilms. This study provides a platform for discovering and evaluating potentiators against bacterial biofilms and highlights the necessity of using relevant in vitro biofilm model systems. Copyright © 2017 Elsevier B.V. and International Society of Chemotherapy. All rights reserved.

Power-Law Dynamics of Membrane Conductances Increase Spiking Diversity in a Hodgkin-Huxley Model.

PubMed

Teka, Wondimu; Stockton, David; Santamaria, Fidel

2016-03-01

We studied the effects of non-Markovian power-law voltage dependent conductances on the generation of action potentials and spiking patterns in a Hodgkin-Huxley model. To implement slow-adapting power-law dynamics of the gating variables of the potassium, n, and sodium, m and h, conductances we used fractional derivatives of order η≤1. The fractional derivatives were used to solve the kinetic equations of each gate. We systematically classified the properties of each gate as a function of η. We then tested if the full model could generate action potentials with the different power-law behaving gates. Finally, we studied the patterns of action potential that emerged in each case. Our results show the model produces a wide range of action potential shapes and spiking patterns in response to constant current stimulation as a function of η. In comparison with the classical model, the action potential shapes for power-law behaving potassium conductance (n gate) showed a longer peak and shallow hyperpolarization; for power-law activation of the sodium conductance (m gate), the action potentials had a sharp rise time; and for power-law inactivation of the sodium conductance (h gate) the spikes had wider peak that for low values of η replicated pituitary- and cardiac-type action potentials. With all physiological parameters fixed a wide range of spiking patterns emerged as a function of the value of the constant input current and η, such as square wave bursting, mixed mode oscillations, and pseudo-plateau potentials. Our analyses show that the intrinsic memory trace of the fractional derivative provides a negative feedback mechanism between the voltage trace and the activity of the power-law behaving gate variable. As a consequence, power-law behaving conductances result in an increase in the number of spiking patterns a neuron can generate and, we propose, expand the computational capacity of the neuron.

Antimicrobial and wound healing potential of Marham-e-Aatshak (A Herb-o-Mineral formulation).

PubMed

Anwar, Noman; Yt, Kamal; Ahmad, Mohd Aftab; Salam, Shahana; Asif, Mohd; Akhtar, Mohd; Ahmad, Sayeed

2017-09-01

Marham-e-Aatshak (MA) is a Unani ointment, with wide use for treating chronic and infectious wounds since long time. This study was designed to screen the antimicrobial and wound healing potential of MA to validate the ethno-therapeutic claims. The agar diffusion method was used to study the antimicrobial action of MA as well as for all of its ingredients. Inhibition zone diameters were measured and MIC values were calculated. Wound healing activity was studied in models of both, excision and incision wounds. Wound contractibility was measured at different intervals in excision wound model; similarly tensile strength was measured in incision wound model. MA and its ingredients showed remarkable inhibitory activity against most of the organisms. In excision wound, a significantly enhanced wound contraction and significantly reduced epithelialization period was observed. In incision wound, significant increase in the mean breaking strength in the test group was observed. The results indicate that MA is capable of fighting against wound infections and able to potentiate the natural healing process.

Global Simulation of Bioenergy Crop Productivity: Analytical Framework and Case Study for Switchgrass

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

Kang, Shujiang; Kline, Keith L; Nair, S. Surendran

A global energy crop productivity model that provides geospatially explicit quantitative details on biomass potential and factors affecting sustainability would be useful, but does not exist now. This study describes a modeling platform capable of meeting many challenges associated with global-scale agro-ecosystem modeling. We designed an analytical framework for bioenergy crops consisting of six major components: (i) standardized natural resources datasets, (ii) global field-trial data and crop management practices, (iii) simulation units and management scenarios, (iv) model calibration and validation, (v) high-performance computing (HPC) simulation, and (vi) simulation output processing and analysis. The HPC-Environmental Policy Integrated Climate (HPC-EPIC) model simulatedmore » a perennial bioenergy crop, switchgrass (Panicum virgatum L.), estimating feedstock production potentials and effects across the globe. This modeling platform can assess soil C sequestration, net greenhouse gas (GHG) emissions, nonpoint source pollution (e.g., nutrient and pesticide loss), and energy exchange with the atmosphere. It can be expanded to include additional bioenergy crops (e.g., miscanthus, energy cane, and agave) and food crops under different management scenarios. The platform and switchgrass field-trial dataset are available to support global analysis of biomass feedstock production potential and corresponding metrics of sustainability.« less

"Black Bone" MRI: a novel imaging technique for 3D printing.

PubMed

Eley, Karen A; Watt-Smith, Stephen R; Golding, Stephen J

2017-03-01

Three-dimensionally printed anatomical models are rapidly becoming an integral part of pre-operative planning of complex surgical cases. We have previously reported the "Black Bone" MRI technique as a non-ionizing alternative to CT. Segmentation of bone becomes possible by minimizing soft tissue contrast to enhance the bone-soft tissue boundary. The objectives of this study were to ascertain the potential of utilizing this technique to produce three-dimensional (3D) printed models. "Black Bone" MRI acquired from adult volunteers and infants with craniosynostosis were 3D rendered and 3D printed. A custom phantom provided a surrogate marker of accuracy permitting comparison between direct measurements and 3D printed models created by segmenting both CT and "Black Bone" MRI data sets using two different software packages. "Black Bone" MRI was successfully utilized to produce 3D models of the craniofacial skeleton in both adults and an infant. Measurements of the cube phantom and 3D printed models demonstrated submillimetre discrepancy. In this novel preliminary study exploring the potential of 3D printing from "Black Bone" MRI data, the feasibility of producing anatomical 3D models has been demonstrated, thus offering a potential non-ionizing alterative to CT for the craniofacial skeleton.

Using in vitro models for expression profiling studies on ethanol and drugs of abuse.

PubMed

Thibault, Christelle; Hassan, Sajida; Miles, Michael

2005-03-01

The use of expression profiling with microarrays offers great potential for studying the mechanisms of action of drugs of abuse. Studies with the intact nervous system seem likely to be most relevant to understanding the mechanisms of drug abuse-related behaviours. However, the use of expression profiling with in vitro culture models offers significant advantages for identifying details of cellular signalling actions and toxicity for drugs of abuse. This study discusses general issues of the use of microarrays and cell culture models for studies on drugs of abuse. Specific results from existing studies are also discussed, providing clear examples of relevance for in vitro studies on ethanol, nicotine, opiates, cannabinoids and hallucinogens such as LSD. In addition to providing details on signalling mechanisms relevant to the neurobiology of drugs of abuse, microarray studies on a variety of cell culture systems have also provided important information on mechanisms of cellular/organ toxicity with drugs of abuse. Efforts to integrate genomic studies on drugs of abuse with both in vivo and in vitro models offer the potential for novel mechanistic rigor and physiological relevance.

CONSTRUCTION OF EDUCATIONAL THEORY MODELS.

ERIC Educational Resources Information Center

MACCIA, ELIZABETH S.; AND OTHERS

THIS STUDY DELINEATED MODELS WHICH HAVE POTENTIAL USE IN GENERATING EDUCATIONAL THEORY. A THEORY MODELS METHOD WAS FORMULATED. BY SELECTING AND ORDERING CONCEPTS FROM OTHER DISCIPLINES, THE INVESTIGATORS FORMULATED SEVEN THEORY MODELS. THE FINAL STEP OF DEVISING EDUCATIONAL THEORY FROM THE THEORY MODELS WAS PERFORMED ONLY TO THE EXTENT REQUIRED TO…

Nonlinear dielectric response and transient current: An effective potential for ferroelectric domain wall displacement

NASA Astrophysics Data System (ADS)

Placeres Jiménez, Rolando; Pedro Rino, José; Marino Gonçalves, André; Antonio Eiras, José

2013-09-01

Ferroelectric domain walls are modeled as rigid bodies moving under the action of a potential field in a dissipative medium. Assuming that the dielectric permittivity follows the dependence ɛ '∝1/(α+βE2), it obtained the exact expression for the effective potential. Simulations of polarization current correctly predict a power law. Such results could be valuable in the study of domain wall kinetic and ultrafast polarization processes. The model is extended to poled samples allowing the study of nonlinear dielectric permittivity under subswitching electric fields. Experimental nonlinear data from PZT 20/80 thin films and Fe+3 doped PZT 40/60 ceramic are reproduced.

BASINs and WEPP Climate Assessment Tools (CAT): Case Study Guide to Potential Applications (Final Report)

EPA Science Inventory

EPA announced the release of the final report, BASINs and WEPP Climate Assessment Tools (CAT): Case Study Guide to Potential Applications. This report supports application of two recently developed water modeling tools, the Better Assessment Science Integrating point & ...

Combinatorial QSAR Modeling of Rat Acute Toxicity by Oral Exposure

EPA Science Inventory

Quantitative Structure-Activity Relationship (QSAR) toxicity models have become popular tools for identifying potential toxic compounds and prioritizing candidates for animal toxicity tests. However, few QSAR studies have successfully modeled large, diverse mammalian toxicity end...

Phenomenological and molecular-level Petri net modeling and simulation of long-term potentiation.

PubMed

Hardy, S; Robillard, P N

2005-10-01

Petri net-based modeling methods have been used in many research projects to represent biological systems. Among these, the hybrid functional Petri net (HFPN) was developed especially for biological modeling in order to provide biologists with a more intuitive Petri net-based method. In the literature, HFPNs are used to represent kinetic models at the molecular level. We present two models of long-term potentiation previously represented by differential equations which we have transformed into HFPN models: a phenomenological synapse model and a molecular-level model of the CaMKII regulation pathway. Through simulation, we obtained results similar to those of previous studies using these models. Our results open the way to a new type of modeling for systems biology where HFPNs are used to combine different levels of abstraction within one model. This approach can be useful in fully modeling a system at the molecular level when kinetic data is missing or when a full study of a system at the molecular level it is not within the scope of the research.

Dry-bean production under climate change conditions in the north of Argentina: Risk assessment and economic implications

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

Feijoo, M.; Mestre, F.; Castagnaro, A.

This study evaluates the potential effect of climate change on Dry-bean production in Argentina, combining climate models, a crop productivity model and a yield response model estimation of climate variables on crop yields. The study was carried out in the North agricultural regions of Jujuy, Salta, Santiago del Estero and Tucuman which include the largest areas of Argentina where dry beans are grown as a high input crop. The paper combines the output from a crop model with different techniques of analysis. The scenarios used in this study were generated from the output of two General Circulation Models (GCMs): themore » Goddard Institute for Space Studies model (GISS) and the Canadian Climate Change Model (CCCM). The study also includes a preliminary evaluation of the potential changes in monetary returns taking into account the possible variability of yields and prices, using mean-Gini stochastic dominance (MGSD). The results suggest that large climate change may have a negative impact on the Argentine agriculture sector, due to the high relevance of this product in the export sector. The difference negative effect depends on the varieties of dry bean and also the General Circulation Model scenarios considered for double levels of atmospheric carbon dioxide.« less

Fishing inside or outside? A case studies analysis of potential spillover effect from marine protected areas, using food web models

NASA Astrophysics Data System (ADS)

Colléter, Mathieu; Gascuel, Didier; Albouy, Camille; Francour, Patrice; Tito de Morais, Luis; Valls, Audrey; Le Loc'h, François

2014-11-01

Marine protected areas (MPAs) are implemented worldwide as an efficient tool to preserve biodiversity and protect ecosystems. We used food web models (Ecopath and EcoTroph) to assess the ability of MPAs to reduce fishing impacts on targeted resources and to provide biomass exports for adjacent fisheries. Three coastal MPAs: Bonifacio and Port-Cros (Mediterranean Sea), and Bamboung (Senegalese coast), were used as case studies. Pre-existing related Ecopath models were homogenized and ecosystem characteristics were compared based on network indices and trophic spectra analyses. Using the EcoTroph model, we simulated different fishing mortality scenarios and assessed fishing impacts on the three ecosystems. Lastly, the potential biomass that could be exported from each MPA was estimated. Despite structural and functional trophic differences, the three MPAs showed similar patterns of resistance to simulated fishing mortalities, with the Bonifacio case study exhibiting the highest potential catches and a slightly inferior resistance to fishing. We also show that the potential exports from our small size MPAs are limited and thus may only benefit local fishing activities. Based on simulations, their potential exports were estimated to be at the same order of magnitude as the amount of catch that could have been obtained inside the reserve. In Port Cros, the ban of fishing inside MPA could actually allow for improved catch yields outside the MPA due to biomass exports. This was not the case for the Bonifacio site, as its potential exports were too low to offset catch losses. This insight suggests the need for MPA networks and/or sufficiently large MPAs to effectively protect juveniles and adults and provide important exports. Finally, we discuss the effects of MPAs on fisheries that were not considered in food web models, and conclude by suggesting possible improvements in the analysis of MPA efficiency.

Velocity Model for CO2 Sequestration in the Southeastern United States Atlantic Continental Margin

NASA Astrophysics Data System (ADS)

Ollmann, J.; Knapp, C. C.; Almutairi, K.; Almayahi, D.; Knapp, J. H.

2017-12-01

The sequestration of carbon dioxide (CO2) is emerging as a major player in offsetting anthropogenic greenhouse gas emissions. With 40% of the United States' anthropogenic CO2 emissions originating in the southeast, characterizing potential CO2 sequestration sites is vital to reducing the United States' emissions. The goal of this research project, funded by the Department of Energy (DOE), is to estimate the CO2 storage potential for the Southeastern United States Atlantic Continental Margin. Previous studies find storage potential in the Atlantic continental margin. Up to 16 Gt and 175 Gt of storage potential are estimated for the Upper Cretaceous and Lower Cretaceous formations, respectively. Considering 2.12 Mt of CO2 are emitted per year by the United States, substantial storage potential is present in the Southeastern United States Atlantic Continental Margin. In order to produce a time-depth relationship, a velocity model must be constructed. This velocity model is created using previously collected seismic reflection, refraction, and well data in the study area. Seismic reflection horizons were extrapolated using well log data from the COST GE-1 well. An interpolated seismic section was created using these seismic horizons. A velocity model will be made using P-wave velocities from seismic reflection data. Once the time-depth conversion is complete, the depths of stratigraphic units in the seismic refraction data will be compared to the newly assigned depths of the seismic horizons. With a lack of well control in the study area, the addition of stratigraphic unit depths from 171 seismic refraction recording stations provides adequate data to tie to the depths of picked seismic horizons. Using this velocity model, the seismic reflection data can be presented in depth in order to estimate the thickness and storage potential of CO2 reservoirs in the Southeastern United States Atlantic Continental Margin.

Novel object exploration in the C58/J mouse model of autistic-like behavior.

PubMed

Blick, Mikkal G; Puchalski, Breann H; Bolanos, Veronica J; Wolfe, Kaitlin M; Green, Matthew C; Ryan, Bryce C

2015-04-01

Mouse models of autistic like behaviors are a valuable tool to use when studying the causes, symptoms, and potential treatments for autism. The inbred C58/J strain is a strain of interest for this model and has previously been shown to possess face validity for some of the core traits of autism, including low social behavior and elevated motor stereotypies. Higher order repetitive behaviors have not been extensively studied in this strain, or in mice in general. In this study, we looked for evidence of higher-order repetitive behaviors in the C58/J strain using a novel object assay. This assay utilized a mouse's natural exploratory behavior among unfamiliar objects to identify potential sequencing patterns in motor activity. The motor stereotypies displayed by the C58/J strain during testing were consistent with past studies. The C58/J strain also displayed a high preference for a single object in the round arena assays and the females demonstrating elevated sequencing patterns in the round arena. Although the C58/J strain did not show pervasive evidence of higher-order repetitive behaviors across all measures, there was evidence of higher order repetitive behaviors in certain situations. This study further demonstrates the potential of the C58/J mouse strains as a model for lower-order and potentially, higher-order repetitive behaviors. This study also demonstrates that the shape of the novel object arena can change the behavior displayed by the test animals. Further studies utilizing the C58/J strain and further validation of the novel object assay are warranted. Copyright © 2014 Elsevier B.V. All rights reserved.

The impact of global warming on the range distribution of different climatic groups of Aspidoscelis costata costata.

PubMed

Güizado-Rodríguez, Martha Anahí; Ballesteros-Barrera, Claudia; Casas-Andreu, Gustavo; Barradas-Miranda, Victor Luis; Téllez-Valdés, Oswaldo; Salgado-Ugarte, Isaías Hazarmabeth

2012-12-01

The ectothermic nature of reptiles makes them especially sensitive to global warming. Although climate change and its implications are a frequent topic of detailed studies, most of these studies are carried out without making a distinction between populations. Here we present the first study of an Aspidoscelis species that evaluates the effects of global warming on its distribution using ecological niche modeling. The aims of our study were (1) to understand whether predicted warmer climatic conditions affect the geographic potential distribution of different climatic groups of Aspidoscelis costata costata and (2) to identify potential altitudinal changes of these groups under global warming. We used the maximum entropy species distribution model (MaxEnt) to project the potential distributions expected for the years 2020, 2050, and 2080 under a single simulated climatic scenario. Our analysis suggests that some climatic groups of Aspidoscelis costata costata will exhibit reductions and in others expansions in their distribution, with potential upward shifts toward higher elevation in response to climate warming. Different climatic groups were revealed in our analysis that subsequently showed heterogeneous responses to climatic change illustrating the complex nature of species geographic responses to environmental change and the importance of modeling climatic or geographic groups and/or populations instead of the entire species' range treated as a homogeneous entity.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system

NASA Astrophysics Data System (ADS)

Kong, Fantai; Longo, Roberto C.; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-01

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO2. A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li2CoO2 and Li-deficient LiCo2O4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

PubMed

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Transport in a capacitive ultracold atomtronic circuit

NASA Astrophysics Data System (ADS)

Eller, Benjamin; Warren, Kayla; Eckel, Stephen; Clark, Charles; Edwards, Mark

2016-05-01

A recent NIST experiment studied the transport of a gaseous Bose-Einstein condensate (BEC) confined in an atomtronic ``dumbbell'' circuit. The optically created condensate potential consisted of a tight harmonic potential in the vertical direction confining the BEC to a horizontial plane. The horizontal potential consisted of two cylindrical wells separated by a channel produced by a harmonic oscillator potential transverse to the line joining the wells. The BEC, formed in the ``source'' well, was released to flow toward the ``drain'' well. We modeled this system with the Gross-Pitaevskii (GP) equation and found good agreement with the data provided that the channel potential is carefully reproduced. The GP simulations show behavior, not detectable in the experiment, that atoms can jump out of the dumbbell area after filling up the drain well. We describe the GP evolution of this system with a model RCL circuit having a time-dependent resistance. This resistance exhibits a strong connection to the time-dependence of the atom loss in the drain. We also studied and present the dependence of the R and L parameters of this model circuit on the channel shape. Supported by NSF Grant PHY-1413768 and ARO Atomtronics MURI.

Assessment of phototoxicity, skin irritation, and sensitization potential of polystyrene and TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Park, Yoon-Hee; Jeong, Sang Hoon; Yi, Sang Min; Hyeok Choi, Byeong; Kim, Yu-Ri; Kim, In-Kyoung; Kim, Meyoung-Kon; Son, Sang Wook

2011-07-01

The human skin equivalent model (HSEM) is well known as an attractive alternative model for evaluation of dermal toxicity. However, only limited data are available on the usefulness of an HSEM for nanotoxicity testing. This study was designed to investigate cutaneous toxicity of polystyrene and TiO2 nanoparticles using cultured keratinocytes, an HSEM, and an animal model. In addition, we also evaluated the skin sensitization potential of nanoparticles using a local lymph node assay with incorporation of BrdU. Findings from the present study indicate that polystyrene and TiO2 nanoparticles do not induce phototoxicity, acute cutaneous irritation, or skin sensitization. Results from evaluation of the HSEMs correspond well with those from animal models. Our findings suggest that the HSEM might be a useful alternative model for evaluation of dermal nanotoxicity.

Structure and dynamics of complex liquid water: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

S, Indrajith V.; Natesan, Baskaran

2015-06-01

We have carried out detailed structure and dynamical studies of complex liquid water using molecular dynamics simulations. Three different model potentials, namely, TIP3P, TIP4P and SPC-E have been used in the simulations, in order to arrive at the best possible potential function that could reproduce the structure of experimental bulk water. All the simulations were performed in the NVE micro canonical ensemble using LAMMPS. The radial distribution functions, gOO, gOH and gHH and the self diffusion coefficient, Ds, were calculated for all three models. We conclude from our results that the structure and dynamical parameters obtained for SPC-E model matched well with the experimental values, suggesting that among the models studied here, the SPC-E model gives the best structure and dynamics of bulk water.

An in silico algal toxicity model with a wide applicability potential for industrial chemicals and pharmaceuticals.

PubMed

Önlü, Serli; Saçan, Melek Türker

2017-04-01

The authors modeled the 72-h algal toxicity data of hundreds of chemicals with different modes of action as a function of chemical structures. They developed mode of action-based local quantitative structure-toxicity relationship (QSTR) models for nonpolar and polar narcotics as well as a global QSTR model with a wide applicability potential for industrial chemicals and pharmaceuticals. The present study rigorously evaluated the generated models, meeting the Organisation for Economic Co-operation and Development principles of robustness, validity, and transparency. The proposed global model had a broad structural coverage for the toxicity prediction of diverse chemicals (some of which are high-production volume chemicals) with no experimental toxicity data. The global model is potentially useful for endpoint predictions, the evaluation of algal toxicity screening, and the prioritization of chemicals, as well as for the decision of further testing and the development of risk-management measures in a scientific and regulatory frame. Environ Toxicol Chem 2017;36:1012-1019. © 2016 SETAC. © 2016 SETAC.

Transferable atomistic model to describe the energetics of zirconia

NASA Astrophysics Data System (ADS)

Wilson, Mark; Schönberger, Uwe; Finnis, Michael W.

1996-10-01

We have investigated the energies of a number of phases of ZrO2 using models of an increasing degree of sophistication: the simple ionic model, the polarizable ion model, the compressible ion model, and finally a model including quadrupole polarizability of the oxygen ions. The three structures which are observed with increasing temperatures are monoclinic, tetragonal, and cubic (fluorite). Besides these we have studied some hypothetical structures which certain potentials erroneously predict or which occur in other oxides with this stoichiometry, e.g., the α-PbO2 structure and rutile. We have also performed ab initio density functional calculations with the full-potential linear combination of muffin-tin orbitals method to investigate the cubic-tetragonal distortion. A detailed comparison is made between the results using classical potentials, the experimental data, and our own and other ab initio results. The factors which stabilize the various structure are analyzed. We find the only genuinely transferable model is the one including compressible ions and anion polarizability to the quadrupole level.

Ocean modelling for aquaculture and fisheries in Irish waters

NASA Astrophysics Data System (ADS)

Dabrowski, T.; Lyons, K.; Cusack, C.; Casal, G.; Berry, A.; Nolan, G. D.

2016-01-01

The Marine Institute, Ireland, runs a suite of operational regional and coastal ocean models. Recent developments include several tailored products that focus on the key needs of the Irish aquaculture sector. In this article, an overview of the products and services derived from the models are presented. The authors give an overview of a shellfish model developed in-house and that was designed to predict the growth, the physiological interactions with the ecosystem, and the level of coliform contamination of the blue mussel. As such, this model is applicable in studies on the carrying capacity of embayments, assessment of the impacts of pollution on aquaculture grounds, and the determination of shellfish water classes. Further services include the assimilation of the model-predicted shelf water movement into a new harmful algal bloom alert system used to inform end users of potential toxic shellfish events and high biomass blooms that include fish-killing species. Models are also used to identify potential sites for offshore aquaculture, to inform studies of potential cross-contamination in farms from the dispersal of planktonic sea lice larvae and other pathogens that can infect finfish, and to provide modelled products that underpin the assessment and advisory services on the sustainable exploitation of the resources of marine fisheries. This paper demonstrates that ocean models can provide an invaluable contribution to the sustainable blue growth of aquaculture and fisheries.

The Road to Creative Achievement: A Latent Variable Model of Ability and Personality Predictors

PubMed Central

Jauk, Emanuel; Benedek, Mathias; Neubauer, Aljoscha C

2014-01-01

This study investigated the significance of different well-established psychometric indicators of creativity for real-life creative outcomes. Specifically, we tested the effects of creative potential, intelligence, and openness to experiences on everyday creative activities and actual creative achievement. Using a heterogeneous sample of 297 adults, we performed latent multiple regression analyses by means of structural equation modelling. We found openness to experiences and two independent indicators of creative potential, ideational originality and ideational fluency, to predict everyday creative activities. Creative activities, in turn, predicted actual creative achievement. Intelligence was found to predict creative achievement, but not creative activities. Moreover, intelligence moderated the effect of creative activities on creative achievement, suggesting that intelligence may play an important role in transforming creative activities into publically acknowledged creative achievements. This study supports the view of creativity as a multifaceted construct and provides an integrative model illustrating the potential interplay between its different facets. PMID:24532953

Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.

PubMed

Balakumar, Chandrasekaran; Ramesh, Muthusamy; Tham, Chuin Lean; Khathi, Samukelisiwe Pretty; Kozielski, Frank; Srinivasulu, Cherukupalli; Hampannavar, Girish A; Sayyad, Nisar; Soliman, Mahmoud E; Karpoormath, Rajshekhar

2017-11-29

Kinesin spindle protein (KSP) belongs to the kinesin superfamily of microtubule-based motor proteins. KSP is responsible for the establishment of the bipolar mitotic spindle which mediates cell division. Inhibition of KSP expedites the blockade of the normal cell cycle during mitosis through the generation of monoastral MT arrays that finally cause apoptotic cell death. As KSP is highly expressed in proliferating/cancer cells, it has gained considerable attention as a potential drug target for cancer chemotherapy. Therefore, this study envisaged to design novel KSP inhibitors by employing computational techniques/tools such as pharmacophore modelling, virtual database screening, molecular docking and molecular dynamics. Initially, the pharmacophore models were generated from the data-set of highly potent KSP inhibitors and the pharmacophore models were validated against in house test set ligands. The validated pharmacophore model was then taken for database screening (Maybridge and ChemBridge) to yield hits, which were further filtered for their drug-likeliness. The potential hits retrieved from virtual database screening were docked using CDOCKER to identify the ligand binding landscape. The top-ranked hits obtained from molecular docking were progressed to molecular dynamics (AMBER) simulations to deduce the ligand binding affinity. This study identified MB-41570 and CB-10358 as potential hits and evaluated these experimentally using in vitro KSP ATPase inhibition assays.

The Development and Evaluation of a Professional Development Model to Build Meaningful and Effective IEPs for Transition-Aged Students

ERIC Educational Resources Information Center

Doren, Bonnie; Flannery, K. Brigid; Lombardi, Allison

2012-01-01

The purpose of the study was to examine the potential efficacy of a professional development training model targeting IEP case managers of transition-age students. A training model was developed and a pilot study conducted to understand the promise of the model to improve the development of critical components within the IEP document that support…

Bayesian evidences for dark energy models in light of current observational data

NASA Astrophysics Data System (ADS)

Lonappan, Anto. I.; Kumar, Sumit; Ruchika; Dinda, Bikash R.; Sen, Anjan A.

2018-02-01

We do a comprehensive study of the Bayesian evidences for a large number of dark energy models using a combination of latest cosmological data from SNIa, CMB, BAO, strong lensing time delay, growth measurements, measurements of Hubble parameter at different redshifts and measurements of angular diameter distance by Megamaser Cosmology Project. We consider a variety of scalar field models with different potentials as well as different parametrizations for the dark energy equation of state. Among 21 models that we consider in our study, we do not find strong evidences in favor of any evolving dark energy model compared to Λ CDM . For the evolving dark energy models, we show that purely nonphantom models have much better evidences compared to those models that allow both phantom and nonphantom behaviors. Canonical scalar field with exponential and tachyon field with square potential have highest evidences among all the models considered in this work. We also show that a combination of low redshift measurements decisively favors an accelerating Λ CDM model compared to a nonaccelerating power law model.

A habitat overlap analysis derived from maxent for tamarisk and the south-western willow flycatcher

NASA Astrophysics Data System (ADS)

York, Patricia; Evangelista, Paul; Kumar, Sunil; Graham, James; Flather, Curtis; Stohlgren, Thomas

2011-06-01

Biologic control of the introduced and invasive, woody plant tamarisk ( Tamarix spp, saltcedar) in south-western states is controversial because it affects habitat of the federally endangered South-western Willow Flycatcher ( Empidonax traillii extimus). These songbirds sometimes nest in tamarisk where floodplain-level invasion replaces native habitats. Biologic control, with the saltcedar leaf beetle ( Diorhabda elongate), began along the Virgin River, Utah, in 2006, enhancing the need for comprehensive understanding of the tamarisk-flycatcher relationship. We used maximum entropy (Maxent) modeling to separately quantify the current extent of dense tamarisk habitat (>50% cover) and the potential extent of habitat available for E. traillii extimus within the studied watersheds. We used transformations of 2008 Landsat Thematic Mapper images and a digital elevation model as environmental input variables. Maxent models performed well for the flycatcher and tamarisk with Area Under the ROC Curve (AUC) values of 0.960 and 0.982, respectively. Classification of thresholds and comparison of the two Maxent outputs indicated moderate spatial overlap between predicted suitable habitat for E. traillii extimus and predicted locations with dense tamarisk stands, where flycatcher habitat will potentially change flycatcher habitats. Dense tamarisk habitat comprised 500 km2 within the study area, of which 11.4% was also modeled as potential habitat for E. traillii extimus. Potential habitat modeled for the flycatcher constituted 190 km2, of which 30.7% also contained dense tamarisk habitat. Results showed that both native vegetation and dense tamarisk habitats exist in the study area and that most tamarisk infestations do not contain characteristics that satisfy the habitat requirements of E. traillii extimus. Based on this study, effective biologic control of Tamarix spp. may, in the short term, reduce suitable habitat available to E. traillii extimus, but also has the potential in the long term to increase suitable habitat if appropriate mixes of native woody vegetation replace tamarisk in biocontrol areas.

Variations of Oceanic Crust in the Northeastern Gulf of Mexico From Integrated Geophysical Analysis

NASA Astrophysics Data System (ADS)

Liu, M.; Filina, I.

2017-12-01

Tectonic history of the Gulf of Mexico remains a subject of debate due to structural complexity of the area and lack of geological constraints. In this study, we focus our investigation on oceanic domain of the northeastern Gulf of Mexico to characterize the crustal distribution and structures. We use published satellite derived potential fields (gravity and magnetics), seismic refraction data (GUMBO3 and GUMBO4) and well logs to build the subsurface models that honor all available datasets. In the previous study, we have applied filters to potential fields grids and mapped the segments of an extinct mid-ocean ridge, ocean-continent boundary (OCB) and several transform faults in our study area. We also developed the 2D potential fields model for seismic profile GUMBO3 (Eddy et al., 2014). The objectives of this study are: 1) to develop a similar model for another seismic profile GUMBO 4 (Christeson, 2014) and derive subsurface properties (densities and magnetic susceptibilities), 2) to compare and contrast the two models, 3) to establish spatial relationship between the two crustal domains. Interpreted seismic velocities for the profiles GUMBO 3 and GUMBO 4 show significant differences, suggesting that these two profiles cross different segments of oceanic crust. The total crustal thickness along GUMBO 3 is much thicker (up to 10 km) than the one for GUMBO 4 (5.7 km). The upper crustal velocity along GUMBO 4 (6.0-6.7 km/s) is significantly higher than the one for GUMBO 3 ( 5.8 km/s). Based our 2D potential fields models along both of the GUMBO lines, we summarize physical properties (seismic velocities, densities and magnetic susceptibilities) for different crustal segments, which are proxies for lithologies. We use our filtered potential fields grids to establish the spatial relationship between these two segments of oceanic crust. The results of our integrated geophysical analysis will be used as additional constraints for the future tectonic reconstruction of the Gulf of Mexico.

GIS prospectivity mapping and 3D modeling validation for potential uranium deposit targets in Shangnan district, China

NASA Astrophysics Data System (ADS)

Xie, Jiayu; Wang, Gongwen; Sha, Yazhou; Liu, Jiajun; Wen, Botao; Nie, Ming; Zhang, Shuai

2017-04-01

Integrating multi-source geoscience information (such as geology, geophysics, geochemistry, and remote sensing) using GIS mapping is one of the key topics and frontiers in quantitative geosciences for mineral exploration. GIS prospective mapping and three-dimensional (3D) modeling can be used not only to extract exploration criteria and delineate metallogenetic targets but also to provide important information for the quantitative assessment of mineral resources. This paper uses the Shangnan district of Shaanxi province (China) as a case study area. GIS mapping and potential granite-hydrothermal uranium targeting were conducted in the study area combining weights of evidence (WofE) and concentration-area (C-A) fractal methods with multi-source geoscience information. 3D deposit-scale modeling using GOCAD software was performed to validate the shapes and features of the potential targets at the subsurface. The research results show that: (1) the known deposits have potential zones at depth, and the 3D geological models can delineate surface or subsurface ore-forming features, which can be used to analyze the uncertainty of the shape and feature of prospectivity mapping at the subsurface; (2) single geochemistry anomalies or remote sensing anomalies at the surface require combining the depth exploration criteria of geophysics to identify potential targets; and (3) the single or sparse exploration criteria zone with few mineralization spots at the surface has high uncertainty in terms of the exploration target.

Analyses on hydrophobicity and attractiveness of all-atom distance-dependent potentials

PubMed Central

Shirota, Matsuyuki; Ishida, Takashi; Kinoshita, Kengo

2009-01-01

Accurate model evaluation is a crucial step in protein structure prediction. For this purpose, statistical potentials, which evaluate a model structure based on the observed atomic distance frequencies in comparison with those in reference states, have been widely used. The reference state is a virtual state where all of the atomic interactions are turned off, and it provides a standard to measure the observed frequencies. In this study, we examined seven all-atom distance-dependent potentials with different reference states. As results, we observed that the variations of atom pair composition and those of distance distributions in the reference states produced systematic changes in the hydrophobic and attractive characteristics of the potentials. The performance evaluations with the CASP7 structures indicated that the preference of hydrophobic interactions improved the correlation between the energy and the GDT-TS score, but decreased the Z-score of the native structure. The attractiveness of potential improved both the correlation and Z-score for template-based modeling targets, but the benefit was smaller in free modeling targets. These results indicated that the performances of the potentials were more strongly influenced by their characteristics than by the accuracy of the definitions of the reference states. PMID:19588493

Accounting for patient variability in finite element analysis of the intact and implanted hip and knee: a review.

PubMed

Taylor, Mark; Bryan, Rebecca; Galloway, Francis

2013-02-01

It is becoming increasingly difficult to differentiate the performance of new joint replacement designs using available preclinical test methods. Finite element analysis is commonly used and the majority of published studies are performed on representative anatomy, assuming optimal implant placement, subjected to idealised loading conditions. There are significant differences between patients and accounting for this variability will lead to better assessment of the risk of failure. This review paper provides a comprehensive overview of the techniques available to account for patient variability. There is a brief overview of patient-specific model generation techniques, followed by a review of multisubject patient-specific studies performed on the intact and implanted femur and tibia. In particular, the challenges and limitations of manually generating models for such studies are discussed. To efficiently account for patient variability, the application of statistical shape and intensity models (SSIM) are being developed. Such models have the potential to synthetically generate thousands of representative models generated from a much smaller training set. Combined with the automation of the prosthesis implantation process, SSIM provides a potentially powerful tool for assessing the next generation of implant designs. The potential application of SSIM are discussed along with their limitations. Copyright © 2012 John Wiley & Sons, Ltd.

Metastatic human hepatocellular carcinoma models in nude mice and cell line with metastatic potential

PubMed Central

Tang, Zhao-You; Sun, Fan-Xian; Tian, Jian; Ye, Sheng-Long; Liu, Yin-Kun; Liu, Kang-Da; Xue, Qiong; Chen, Jie; Xia, Jing-Lin; Qin, Lun-Xiu; Sun, Hui-Chuan; Wang, Lu; Zhou, Jian; Li, Yan; Ma, Zeng-Chen; Zhou, Xin-Da; Wu, Zhi-Quan; Lin, Zhi-Ying; Yang, Bing-Hui

2001-01-01

Metastatic human HCC model is needed for the studies on mechanism and interven tion of metastatic recurrence. By using orthotopic implantation of histologically intact tissues of 30 surgical specimens, a patient-like metastatic model of hu man HCC in nude mice (LCI-D20) and a low metastatic model of human HCC in nude mice (LCI-D35) have been established. All mice with transplanted LCI-D20 tumors exhibited extremely high metastatic ability including spontaneous metasta sis to liver, lungs, lymph nodes and peritoneal seeding. Remarkable difference was also found in expression of some of the invasiveness related genes and growth factors between the LCI-D20 and LCI-D35 tumors. PAI-1 increased gradually following tumor progression in LCI-D20 model, and correlated with tumor size and AFP level. Phasic expression of tissue intercellular adhesio nmolecule-1 in this model was also observed. Using corneal micropocket model, it was demonstrated that the vascular response induced by LCI-D20 tumor was stronger than that induced by LCI-D35 tumor. Similar report on metastatic human HCC model in nude mice and human HCC cell line with metastatic potential was rarely found in the literature. This LCI-D20 model has been widely used for the studies on intervention of metastasis, including anti-angiogenesis, antisense approach, metallopro teinase inhibitor, differentiation inducer, etc. It is concluded that the establ ishment of metastatic human HCC model in nude mice and human HCC cell line with metastatic potential will provide important models for the in vivo and in vitro study of HCC invasiveness, angiogenesis as well as intervention of HCC recurrence. PMID:11819839

Genetically modified plants and food hypersensitivity diseases: usage and implications of experimental models for risk assessment.

PubMed

Prescott, Vanessa E; Hogan, Simon P

2006-08-01

The recent advances in biotechnology in the plant industry have led to increasing crop production and yield that in turn has increased the usage of genetically modified (GM) food in the human food chain. The usage of GM foods for human consumption has raised a number of fundamental questions including the ability of GM foods to elicit potentially harmful immunological responses, including allergic hypersensitivity. To assess the safety of foods derived from GM plants including allergenic potential, the US FDA, Food and Agriculture Organization of the United Nations (FAO)/World Health Organization (WHO), and the EU have developed approaches for evaluation assessment. One assessment approach that has been a very active area of research and debate is the development and usage of animal models to assess the potential allergenicity of GM foods. A number of specific animal models employing rodents, pigs, and dogs have been developed for allergenicity assessment. However, validation of these models is needed and consideration of the criteria for an appropriate animal model for the assessment of allergenicity in GM plants is required. We have recently employed a BALB/c mouse model to assess the potential allergenicity of GM plants. We have been able to demonstrate that this model is able to detect differences in antigenicity and identify aspects of protein post-translational modifications that can alter antigenicity. Furthermore, this model has also enabled us to examine the usage of GM plants as a therapeutic approach for the treatment of allergic diseases. This review discusses the current approaches to assess the allergenic potential of GM food and particularly focusing on the usage of animal models to determine the potential allergenicity of GM foods and gives an overview of our recent findings and implications of these studies.

Biophysically Based Mathematical Modeling of Interstitial Cells of Cajal Slow Wave Activity Generated from a Discrete Unitary Potential Basis

PubMed Central

Faville, R.A.; Pullan, A.J.; Sanders, K.M.; Koh, S.D.; Lloyd, C.M.; Smith, N.P.

2009-01-01

Abstract Spontaneously rhythmic pacemaker activity produced by interstitial cells of Cajal (ICC) is the result of the entrainment of unitary potential depolarizations generated at intracellular sites termed pacemaker units. In this study, we present a mathematical modeling framework that quantitatively represents the transmembrane ion flows and intracellular Ca2+ dynamics from a single ICC operating over the physiological membrane potential range. The mathematical model presented here extends our recently developed biophysically based pacemaker unit modeling framework by including mechanisms necessary for coordinating unitary potential events, such as a T-Type Ca2+ current, Vm-dependent K+ currents, and global Ca2+ diffusion. Model simulations produce spontaneously rhythmic slow wave depolarizations with an amplitude of 65 mV at a frequency of 17.4 cpm. Our model predicts that activity at the spatial scale of the pacemaker unit is fundamental for ICC slow wave generation, and Ca2+ influx from activation of the T-Type Ca2+ current is required for unitary potential entrainment. These results suggest that intracellular Ca2+ levels, particularly in the region local to the mitochondria and endoplasmic reticulum, significantly influence pacing frequency and synchronization of pacemaker unit discharge. Moreover, numerical investigations show that our ICC model is capable of qualitatively replicating a wide range of experimental observations. PMID:19527643

Parents and friends both matter: simultaneous and interactive influences of parents and friends on European schoolchildren's energy balance-related behaviours - the ENERGY cross-sectional study.

PubMed

te Velde, Saskia J; ChinAPaw, Mai J M; De Bourdeaudhuij, Ilse; Bere, Elling; Maes, Lea; Moreno, Luis; Jan, Nataša; Kovacs, Eva; Manios, Yannis; Brug, Johannes

2014-07-08

The family, and parents in particular, are considered the most important influencers regarding children's energy-balance related behaviours (EBRBs). When children become older and gain more behavioural autonomy regarding different behaviours, the parental influences may become less important and peer influences may gain importance. Therefore the current study aims to investigate simultaneous and interactive associations of family rules, parent and friend norms and modelling with soft drink intake, TV viewing, daily breakfast consumption and sport participation among schoolchildren across Europe. A school-based cross-sectional survey in eight countries across Europe among 10-12 year old schoolchildren. Child questionnaires were used to assess EBRBs (soft drink intake, TV viewing, breakfast consumption, sport participation), and potential determinants of these behaviours as perceived by the child, including family rules, parental and friend norms and modelling. Linear and logistic regression analyses (n = 7811) were applied to study the association of parental (norms, modelling and rules) and friend influences (norm and modelling) with the EBRBs. In addition, potential moderating effects of parental influences on the associations of friend influences with the EBRBs were studied by including interaction terms. Children reported more unfavourable friend norms and modelling regarding soft drink intake and TV viewing, while they reported more favourable friend and parental norms and modelling for breakfast consumption and physical activity. Perceived friend and parental norms and modelling were significantly positively associated with soft drink intake, breakfast consumption, physical activity (only modelling) and TV time. Across the different behaviours, ten significant interactions between parental and friend influencing variables were found and suggested a weaker association of friend norms and modelling when rules were in place. Parental and friends norm and modelling are associated with schoolchildren's energy balance-related behaviours. Having family rules or showing favourable parental modelling and norms seems to reduce the potential unfavourable associations of friends' norms and modelling with the EBRBs.

Bayesian meta-analytical methods to incorporate multiple surrogate endpoints in drug development process.

PubMed

Bujkiewicz, Sylwia; Thompson, John R; Riley, Richard D; Abrams, Keith R

2016-03-30

A number of meta-analytical methods have been proposed that aim to evaluate surrogate endpoints. Bivariate meta-analytical methods can be used to predict the treatment effect for the final outcome from the treatment effect estimate measured on the surrogate endpoint while taking into account the uncertainty around the effect estimate for the surrogate endpoint. In this paper, extensions to multivariate models are developed aiming to include multiple surrogate endpoints with the potential benefit of reducing the uncertainty when making predictions. In this Bayesian multivariate meta-analytic framework, the between-study variability is modelled in a formulation of a product of normal univariate distributions. This formulation is particularly convenient for including multiple surrogate endpoints and flexible for modelling the outcomes which can be surrogate endpoints to the final outcome and potentially to one another. Two models are proposed, first, using an unstructured between-study covariance matrix by assuming the treatment effects on all outcomes are correlated and second, using a structured between-study covariance matrix by assuming treatment effects on some of the outcomes are conditionally independent. While the two models are developed for the summary data on a study level, the individual-level association is taken into account by the use of the Prentice's criteria (obtained from individual patient data) to inform the within study correlations in the models. The modelling techniques are investigated using an example in relapsing remitting multiple sclerosis where the disability worsening is the final outcome, while relapse rate and MRI lesions are potential surrogates to the disability progression. © 2015 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd.

Modeling and analysis to quantify MSE wall behavior and performance.

DOT National Transportation Integrated Search

2009-08-01

To better understand potential sources of adverse performance of mechanically stabilized earth (MSE) walls, a suite of analytical models was studied using the computer program FLAC, a numerical modeling computer program widely used in geotechnical en...

Influence of tissue resistivities on neuromagnetic fields and electric potentials studied with a finite element model of the head.

PubMed

Haueisen, J; Ramon, C; Eiselt, M; Brauer, H; Nowak, H

1997-08-01

Modeling in magnetoencephalography (MEG) and electroencephalography (EEG) requires knowledge of the in vivo tissue resistivities of the head. The aim of this paper is to examine the influence of tissue resistivity changes on the neuromagnetic field and the electric scalp potential. A high-resolution finite element method (FEM) model (452,162 elements, 2-mm resolution) of the human head with 13 different tissue types is employed for this purpose. Our main finding was that the magnetic fields are sensitive to changes in the tissue resistivity in the vicinity of the source. In comparison, the electric surface potentials are sensitive to changes in the tissue resistivity in the vicinity of the source and in the vicinity of the position of the electrodes. The magnitude (strength) of magnetic fields and electric surface potentials is strongly influenced by tissue resistivity changes, while the topography is not as strongly influenced. Therefore, an accurate modeling of magnetic field and electric potential strength requires accurate knowledge of tissue resistivities, while for source localization procedures this knowledge might not be a necessity.

Closing the Excellence Gap: Investigation of an Expanded Talent Search Model for Student Selection into an Extracurricular STEM Program in Rural Middle Schools

ERIC Educational Resources Information Center

Assouline, Susan G.; Ihrig, Lori M.; Mahatmya, Duhita

2017-01-01

High-potential students from underresourced rural schools face barriers that reduce options for academic advancement, which widens the excellence gap between them and their more affluent, but similar ability peers. The goal of this study was to investigate the effectiveness of an expanded above-level testing model to identify high-potential rural…

Observing a model ion channel gating action in model cell membranes in real time in situ: membrane potential change induced alamethicin orientation change.

PubMed

Ye, Shuji; Li, Hongchun; Wei, Feng; Jasensky, Joshua; Boughton, Andrew P; Yang, Pei; Chen, Zhan

2012-04-11

Ion channels play crucial roles in transport and regulatory functions of living cells. Understanding the gating mechanisms of these channels is important to understanding and treating diseases that have been linked to ion channels. One potential model peptide for studying the mechanism of ion channel gating is alamethicin, which adopts a split α/3(10)-helix structure and responds to changes in electric potential. In this study, sum frequency generation vibrational spectroscopy (SFG-VS), supplemented by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), has been applied to characterize interactions between alamethicin (a model for larger channel proteins) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid bilayers in the presence of an electric potential across the membrane. The membrane potential difference was controlled by changing the pH of the solution in contact with the bilayer and was measured using fluorescence spectroscopy. The orientation angle of alamethicin in POPC lipid bilayers was then determined at different pH values using polarized SFG amide I spectra. Assuming that all molecules adopt the same orientation (a δ distribution), at pH = 6.7 the α-helix at the N-terminus and the 3(10)-helix at the C-terminus tilt at about 72° (θ(1)) and 50° (θ(2)) versus the surface normal, respectively. When pH increases to 11.9, θ(1) and θ(2) decrease to 56.5° and 45°, respectively. The δ distribution assumption was verified using a combination of SFG and ATR-FTIR measurements, which showed a quite narrow distribution in the angle of θ(1) for both pH conditions. This indicates that all alamethicin molecules at the surface adopt a nearly identical orientation in POPC lipid bilayers. The localized pH change in proximity to the bilayer modulates the membrane potential and thus induces a decrease in both the tilt and the bend angles of the two helices in alamethicin. This is the first reported application of SFG to the study of model ion channel gating mechanisms in model cell membranes. © 2012 American Chemical Society

Assessing the Potential Environmental Consequences of a New Energetic Material: A Phased Approach

DTIC Science & Technology

2007-12-01

Melting point • Ionization potential (2) QSAR approaches can also be used to estimate toxicological impact. Toxicity QSAR models can often... TOXICOLOGY STUDY NO. 87-XE-03N3-05 ASSESSING THE POTENTIAL ENVIRONMENTAL CONSEQUENCES OF A NEW ENERGETIC MATERIAL: A PHASED APPROACH...SEPTEMBER 2005 Published: December 2007 Approved for public release; distribution unlimited. Toxicology Study No. 87-XE-03N3-05

Implantable polymer/metal thin film structures for the localized treatment of cancer by Joule heating

NASA Astrophysics Data System (ADS)

Kan-Dapaah, Kwabena; Rahbar, Nima; Theriault, Christian; Soboyejo, Wole

2015-04-01

This paper presents an implantable polymer/metal alloy thin film structure for localized post-operative treatment of breast cancer. A combination of experiments and models is used to study the temperature changes due to Joule heating by patterned metallic thin films embedded in poly-dimethylsiloxane. The heat conduction within the device and the surrounding normal/cancerous breast tissue is modeled with three-dimensional finite element method (FEM). The FEM simulations are used to explore the potential effects of device geometry and Joule heating on the temperature distribution and lesion (thermal dose). The FEM model is validated using a gel model that mimics biological media. The predictions are also compared to prior results from in vitro studies and relevant in vivo studies in the literature. The implications of the results are discussed for the potential application of polymer/metal thin film structures in hyperthermic treatment of cancer.

The Application of a Massively Parallel Computer to the Simulation of Electrical Wave Propagation Phenomena in the Heart Muscle Using Simplified Models

NASA Technical Reports Server (NTRS)

Karpoukhin, Mikhii G.; Kogan, Boris Y.; Karplus, Walter J.

1995-01-01

The simulation of heart arrhythmia and fibrillation are very important and challenging tasks. The solution of these problems using sophisticated mathematical models is beyond the capabilities of modern super computers. To overcome these difficulties it is proposed to break the whole simulation problem into two tightly coupled stages: generation of the action potential using sophisticated models. and propagation of the action potential using simplified models. The well known simplified models are compared and modified to bring the rate of depolarization and action potential duration restitution closer to reality. The modified method of lines is used to parallelize the computational process. The conditions for the appearance of 2D spiral waves after the application of a premature beat and the subsequent traveling of the spiral wave inside the simulated tissue are studied.

Teratogenic Potential of Antiepileptic Drugs in the Zebrafish Model

PubMed Central

Lee, Sung Hak; Kang, Jung Won; Lin, Tao; Lee, Jae Eun; Jin, Dong Il

2013-01-01

The zebrafish model is an attractive candidate for screening of developmental toxicity during early drug development. Antiepileptic drugs (AEDs) arouse concern for the risk of teratogenicity, but the data are limited. In this study, we evaluated the teratogenic potential of seven AEDs (carbamazepine (CBZ), ethosuximide (ETX), valproic acid (VPN), lamotrigine (LMT), lacosamide (LCM), levetiracetam (LVT), and topiramate (TPM)) in the zebrafish model. Zebrafish embryos were exposed to AEDs from initiation of gastrula (5.25 hours post-fertilization (hpf)) to termination of hatching (72 hpf) which mimic the mammalian teratogenic experimental design. The lethality and teratogenic index (TI) of AEDs were determined and the TI values of each drug were compared with the US FDA human pregnancy categories. Zebrafish model was useful screening model for teratogenic potential of antiepilepsy drugs and was in concordance with in vivo mammalian data and human clinical data. PMID:24324971

Teratogenic potential of antiepileptic drugs in the zebrafish model.

PubMed

Lee, Sung Hak; Kang, Jung Won; Lin, Tao; Lee, Jae Eun; Jin, Dong Il

2013-01-01

The zebrafish model is an attractive candidate for screening of developmental toxicity during early drug development. Antiepileptic drugs (AEDs) arouse concern for the risk of teratogenicity, but the data are limited. In this study, we evaluated the teratogenic potential of seven AEDs (carbamazepine (CBZ), ethosuximide (ETX), valproic acid (VPN), lamotrigine (LMT), lacosamide (LCM), levetiracetam (LVT), and topiramate (TPM)) in the zebrafish model. Zebrafish embryos were exposed to AEDs from initiation of gastrula (5.25 hours post-fertilization (hpf)) to termination of hatching (72 hpf) which mimic the mammalian teratogenic experimental design. The lethality and teratogenic index (TI) of AEDs were determined and the TI values of each drug were compared with the US FDA human pregnancy categories. Zebrafish model was useful screening model for teratogenic potential of antiepilepsy drugs and was in concordance with in vivo mammalian data and human clinical data.

[Hardware Implementation of Numerical Simulation Function of Hodgkin-Huxley Model Neurons Action Potential Based on Field Programmable Gate Array].

PubMed

Wang, Jinlong; Lu, Mai; Hu, Yanwen; Chen, Xiaoqiang; Pan, Qiangqiang

2015-12-01

Neuron is the basic unit of the biological neural system. The Hodgkin-Huxley (HH) model is one of the most realistic neuron models on the electrophysiological characteristic description of neuron. Hardware implementation of neuron could provide new research ideas to clinical treatment of spinal cord injury, bionics and artificial intelligence. Based on the HH model neuron and the DSP Builder technology, in the present study, a single HH model neuron hardware implementation was completed in Field Programmable Gate Array (FPGA). The neuron implemented in FPGA was stimulated by different types of current, the action potential response characteristics were analyzed, and the correlation coefficient between numerical simulation result and hardware implementation result were calculated. The results showed that neuronal action potential response of FPGA was highly consistent with numerical simulation result. This work lays the foundation for hardware implementation of neural network.

NUMERICAL MODELS AS ENABLING TOOLS FOR TIDAL-STREAM ENERGY EXTRACTION AND ENVIRONMENTAL IMPACT ASSESSMENT

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

Yang, Zhaoqing; Wang, Taiping

This paper presents a modeling study conducted to evaluate tidal-stream energy extraction and its associated potential environmental impacts using a three-dimensional unstructured-grid coastal ocean model, which was coupled with a water-quality model and a tidal-turbine module.

Modeling Instruction: The Impact of Professional Development on Instructional Practices

ERIC Educational Resources Information Center

Barlow, Angela T.; Frick, Tasha M.; Barker, Heather L.; Phelps, Amy J.

2014-01-01

Modeling Instruction holds the potential for transforming science instruction and improving student achievement. Key to the success of Modeling Instruction, however, is the fidelity of implementation of its curriculum. This qualitative study examined the impact of Modeling Instruction professional development on participating teachers'…

Alternative Models of Entrance Exams and Access to Higher Education: The Case of the Czech Republic

ERIC Educational Resources Information Center

Konecny, Tomas; Basl, Josef; Myslivecek, Jan; Simonova, Natalie

2012-01-01

The study compares the potential effects of a university admission exam model based on program-specific knowledge and an alternative model relying on general study aptitude (GSA) in the context of a strongly stratified educational system with considerable excess of demand over supply of university education. Using results of the "Sonda…

Student and Teacher Perceptions of the Five Co-Teaching Models: A Pilot Study

ERIC Educational Resources Information Center

Burks-Keeley, Randa G.; Brown, Monica R.

2014-01-01

The potential benefits of co-teaching for students with disabilities are numerous, but more research is needed to ascertain the effectiveness of and preferences toward the current models. The purpose of this study was to (1) investigate student and teacher perceptions regarding the five co-teaching models (i.e., One Teach/One Assist, Station…

Modelling highly variable environmental factors to assess potential microbial respiration in complex floodplain landscapes

PubMed Central

Tritthart, Michael; Welti, Nina; Bondar-Kunze, Elisabeth; Pinay, Gilles; Hein, Thomas; Habersack, Helmut

2011-01-01

The hydrological exchange conditions strongly determine the biogeochemical dynamics in river systems. More specifically, the connectivity of surface waters between main channels and floodplains is directly controlling the delivery of organic matter and nutrients into the floodplains, where biogeochemical processes recycle them with high rates of activity. Hence, an in-depth understanding of the connectivity patterns between main channel and floodplains is important for the modelling of potential gas emissions in floodplain landscapes. A modelling framework that combines steady-state hydrodynamic simulations with long-term discharge hydrographs was developed to calculate water depths as well as statistical probabilities and event durations for every node of a computation mesh being connected to the main river. The modelling framework was applied to two study sites in the floodplains of the Austrian Danube River, East of Vienna. Validation of modelled flood events showed good agreement with gauge readings. Together with measured sediment properties, results of the validated connectivity model were used as basis for a predictive model yielding patterns of potential microbial respiration based on the best fit between characteristics of a number of sampling sites and the corresponding modelled parameters. Hot spots of potential microbial respiration were found in areas of lower connectivity if connected during higher discharges and areas of high water depths. PMID:27667961

Research on Orbital Plasma-Electrodynamics (ROPE)

NASA Technical Reports Server (NTRS)

Wu, S. T.; Wright, K.

1994-01-01

Since the development of probe theory by Langmuir and Blodgett, the problem of current collection by a charged spherically or cylindrically symmetric body has been investigated by a number of authors. This paper overviews the development of a fully three-dimensional particle simulation code which can be used to understand the physics of current collection in three dimensions and can be used to analyze data resulting from the future tethered satellite system (TSS). According to the TSS configurations, two types of particle simulation models were constructed: a simple particle simulation (SIPS) and a super particle simulation (SUPS). The models study the electron transient response and its asymptotic behavior around a three dimensional, highly biased satellite. The potential distribution surrounding the satellite is determined by solving Laplace's equation in the SIPS model and by solving Poisson's equation in the SUPS model. Thus, the potential distribution in space is independent of the density distribution of the particles in the SUPS model but it does depend on the density distribution of the particles in the SUPS model. The evolution of the potential distribution in the SUPS model is described. When the spherical satellite is charged to a highly positive potential and immersed in a plasma with a uniform magnetic field, the formation of an electron torus in the equatorial plane (the plane in perpendicular to the magnetic field) and elongation of the torus along the magnetic field are found in both the SIPS and the SUPS models but the shape of the torus is different. The areas of high potential that exist in the polar regions in the SUPS model exaggerate the elongation of the electron torus along the magnetic field. The current collected by the satellite for different magentic field strengths is investigated in both models. Due to the nonlinear effects present in SUPS, the oscillating phenomenon of the current collection curve during the first 10 plasma periods can be seen (this does not appear in SIPS). From the parametric studies, it appears that the oscillating phenomenon of the current collection curve occurs only when the magnetic field strength is less than 0.2 gauss for the present model.

The development of novel simulation methodologies and intermolecular potential models for real fluids

NASA Astrophysics Data System (ADS)

Errington, Jeffrey Richard

This work focuses on the development of intermolecular potential models for real fluids. United-atom models have been developed for both non-polar and polar fluids. The models have been optimized to the vapor-liquid coexistence properties. Histogram reweighting techniques were used to calculate phase behavior. The Hamiltonian scaling grand canonical Monte Carlo method was developed to enable the determination of thermodynamic properties of several related Hamiltonians from a single simulation. With this method, the phase behavior of variations of the Buckingham exponential-6 potential was determined. Reservoir grand canonical Monte Carlo simulations were developed to simulate molecules with complex architectures and/or stiff intramolecular constraints. The scheme is based on the creation of a reservoir of ideal chains from which structures are selected for insertion during a simulation. New intermolecular potential models have been developed for water, the n-alkane homologous series, benzene, cyclohexane, carbon dioxide, ammonia and methanol. The models utilize the Buckingham exponential-6 potential to model non-polar interactions and point charges to describe polar interactions. With the exception of water, the new models reproduce experimental saturated densities, vapor pressures and critical parameters to within a few percent. In the case of water, we found a set of parameters that describes the phase behavior better than other available point charge models while giving a reasonable description of the liquid structure. The mixture behavior of water-hydrocarbon mixtures has also been examined. The Henry's law constants of methane, ethane, benzene and cyclohexane in water were determined using Widom insertion and expanded ensemble techniques. In addition the high-pressure phase behavior of water-methane and water-ethane systems was studied using the Gibbs ensemble method. The results from this study indicate that it is possible to obtain a good description of the phase behavior of pure components using united-atom models. The mixture behavior of non-polar systems, including highly asymmetric components, was in good agreement with experiment. The calculations for the highly non-ideal water-hydrocarbon mixtures reproduced experimental behavior with varying degrees of success. The results indicate that multibody effects, such as polarizability, must be taken into account when modeling mixtures of polar and non-polar components.

Global evaluation of biofuel potential from microalgae

PubMed Central

Moody, Jeffrey W.; McGinty, Christopher M.; Quinn, Jason C.

2014-01-01

In the current literature, the life cycle, technoeconomic, and resource assessments of microalgae-based biofuel production systems have relied on growth models extrapolated from laboratory-scale data, leading to a large uncertainty in results. This type of simplistic growth modeling overestimates productivity potential and fails to incorporate biological effects, geographical location, or cultivation architecture. This study uses a large-scale, validated, outdoor photobioreactor microalgae growth model based on 21 reactor- and species-specific inputs to model the growth of Nannochloropsis. This model accurately accounts for biological effects such as nutrient uptake, respiration, and temperature and uses hourly historical meteorological data to determine the current global productivity potential. Global maps of the current near-term microalgae lipid and biomass productivity were generated based on the results of annual simulations at 4,388 global locations. Maximum annual average lipid yields between 24 and 27 m3·ha−1·y−1, corresponding to biomass yields of 13 to 15 g·m−2·d−1, are possible in Australia, Brazil, Colombia, Egypt, Ethiopia, India, Kenya, and Saudi Arabia. The microalgae lipid productivity results of this study were integrated with geography-specific fuel consumption and land availability data to perform a scalability assessment. Results highlight the promising potential of microalgae-based biofuels compared with traditional terrestrial feedstocks. When water, nutrients, and CO2 are not limiting, many regions can potentially meet significant fractions of their transportation fuel requirements through microalgae production, without land resource restriction. Discussion focuses on sensitivity of monthly variability in lipid production compared with annual average yields, effects of temperature on productivity, and a comparison of results with previous published modeling assumptions. PMID:24912176

Understanding the Electrical Behavior of the Action Potential in Terms of Elementary Electrical Sources

ERIC Educational Resources Information Center

Rodriguez-Falces, Javier

2015-01-01

A concept of major importance in human electrophysiology studies is the process by which activation of an excitable cell results in a rapid rise and fall of the electrical membrane potential, the so-called action potential. Hodgkin and Huxley proposed a model to explain the ionic mechanisms underlying the formation of action potentials. However,…

Modeled microgravity suppressed invasion and migration of human glioblastoma U87 cells through downregulating store-operated calcium entry

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

Shi, Zi-xuan; Rao, Wei; Wang, Huan

Glioblastoma is the most common brain tumor and is characterized with robust invasion and migration potential resulting in poor prognosis. Previous investigations have demonstrated that modeled microgravity (MMG) could decline the cell proliferation and attenuate the metastasis potential in several cell lines. In this study, we studied the effects of MMG on the invasion and migration potentials of glioblastoma in human glioblastoma U87 cells. We found that MMG stimulation significantly attenuated the invasion and migration potentials, decreased thapsigargin (TG) induced store-operated calcium entry (SOCE) and downregulated the expression of Orai1 in U87 cells. Inhibition of SOCE by 2-APB or stromalmore » interaction molecule 1 (STIM1) downregulation both mimicked the effects of MMG on the invasion and migration potentials in U87 cells. Furthermore, upregulation of Orai1 significantly weakened the effects of MMG on the invasion and migration potentials in U87 cells. Therefore, these findings indicated that MMG stimulation inhibited the invasion and migration potentials of U87 cells by downregulating the expression of Orai1 and sequentially decreasing the SOCE, suggesting that MMG might be a new potential therapeutic strategy in glioblastoma treatment in the future. - Highlights: • Modeled microgravity (MMG) suppressed migration and invasion in U87 cells. • MMG downregulated the SOCE and the expression of Orai1. • SOCE inhibition mimicked the effects of MMG on migration and invasion potentials. • Restoration of SOCE diminished the effects of MMG on migration and invasion.« less

Potential immobilized Saccharomyces cerevisiae as heavy metal removal

NASA Astrophysics Data System (ADS)

Raffar, Nur Izzati Abdul; Rahman, Nadhratul Nur Ain Abdul; Alrozi, Rasyidah; Senusi, Faraziehan; Chang, Siu Hua

2015-05-01

Biosorption of copper ion using treated and untreated immobilized Saccharomyces cerevisiae from aqueous solution was investigate in this study. S.cerevisiae has been choosing as biosorbent due to low cost, easy and continuously available from various industries. In this study, the ability of treated and untreated immobilized S.cerevisiae in removing copper ion influence by the effect of pH solution, and initial concentration of copper ion with contact time. Besides, adsorption isotherm and kinetic model also studied. The result indicated that the copper ion uptake on treated and untreated immobilized S.cerevisiae was increased with increasing of contact time and initial concentration of copper ion. The optimum pH for copper ion uptake on untreated and treated immobilized S.cerevisiae at 4 and 6. From the data obtained of copper ion uptake, the adsorption isotherm was fitted well by Freundlich model for treated immobilized S.cerevisiae and Langmuir model for untreated immobilized S.cerevisiae according to high correlation coefficient. Meanwhile, the pseudo second order was described as suitable model present according to high correlation coefficient. Since the application of biosorption process has been received more attention from numerous researchers as a potential process to be applied in the industry, future study will be conducted to investigate the potential of immobilized S.cerevisiae in continuous process.

Analysis of {sup 4}He+{sup 40}Ca and {sup 4}He+{sup 44}Ti scattering using different optical model potentials

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

Ibraheem, Awad A., E-mail: awad-ah-eb@hotmail.com

Elastic scattering of {sup 4}He+{sup 40}Ca and {sup 4}He+{sup 44}Ti reactions at backward angles has been analyzed using two different models, microscopic and semimicroscopic folding potentials. The derived real potentials supplemented with phenomenological Woods–Saxon imaginary potentials, provide good agreement with the experimental data at energy E{sub c.m.} = 21.8 MeV without need to renormalize the potentials. Coupled channels calculations are used to extract the inelastic scattering cross section to the low-lying state 2+ (1.083 MeV) of {sup 44}Ti. The deformation length is obtained and compared with the electromagnetic measurement values as well as those obtained from previous studies.

Klein tunneling in the α -T3 model

NASA Astrophysics Data System (ADS)

Illes, E.; Nicol, E. J.

2017-06-01

We investigate Klein tunneling for the α -T3 model, which interpolates between graphene and the dice lattice via parameter α . We study transmission across two types of electrostatic interfaces: sharp potential steps and sharp potential barriers. We find both interfaces to be perfectly transparent for normal incidence for the full range of the parameter α for both interfaces. For other angles of incidence, we find that transmission is enhanced with increasing α . For the dice lattice, we find perfect, all-angle transmission across a potential step for incoming electrons with energy equal to half of the height of the potential step. This is analogous to the "super", all-angle transmission reported for the dice lattice for Klein tunneling across a potential barrier.

Modeling of the Through-the-Thickness Electric Potentials of a Piezoelectric Bimorph Using the Spectral Element Method

PubMed Central

Dong, Xingjian; Peng, Zhike; Hua, Hongxing; Meng, Guang

2014-01-01

An efficient spectral element (SE) with electric potential degrees of freedom (DOF) is proposed to investigate the static electromechanical responses of a piezoelectric bimorph for its actuator and sensor functions. A sublayer model based on the piecewise linear approximation for the electric potential is used to describe the nonlinear distribution of electric potential through the thickness of the piezoelectric layers. An equivalent single layer (ESL) model based on first-order shear deformation theory (FSDT) is used to describe the displacement field. The Legendre orthogonal polynomials of order 5 are used in the element interpolation functions. The validity and the capability of the present SE model for investigation of global and local responses of the piezoelectric bimorph are confirmed by comparing the present solutions with those obtained from coupled 3-D finite element (FE) analysis. It is shown that, without introducing any higher-order electric potential assumptions, the current method can accurately describe the distribution of the electric potential across the thickness even for a rather thick bimorph. It is revealed that the effect of electric potential is significant when the bimorph is used as sensor while the effect is insignificant when the bimorph is used as actuator, and therefore, the present study may provide a better understanding of the nonlinear induced electric potential for bimorph sensor and actuator. PMID:24561399

WEB-DHM: A distributed biosphere hydrological model developed by coupling a simple biosphere scheme with a hillslope hydrological model

USDA-ARS?s Scientific Manuscript database

The coupling of land surface models and hydrological models potentially improves the land surface representation, benefiting both the streamflow prediction capabilities as well as providing improved estimates of water and energy fluxes into the atmosphere. In this study, the simple biosphere model 2...

Redox condition in molten salts and solute behavior: A first-principles molecular dynamics study

NASA Astrophysics Data System (ADS)

Nam, Hyo On; Morgan, Dane

2015-10-01

Molten salts technology is of significant interest for nuclear, solar, and other energy systems. In this work, first-principles molecular dynamics (FPMD) was used to model the solute behavior in eutectic LiCl-KCl and FLiBe (Li2BeF4) melts at 773 K and 973 K, respectively. The thermo-kinetic properties for solute systems such as the redox potential, solute diffusion coefficients and structural information surrounding the solute were predicted from FPMD modeling and the calculated properties are generally in agreement with the experiments. In particular, we formulate an approach to model redox energetics vs. chlorine (or fluorine) potential from first-principles approaches. This study develops approaches for, and demonstrates the capabilities of, FPMD to model solute properties in molten salts.

Generative Models of Segregation: Investigating Model-Generated Patterns of Residential Segregation by Ethnicity and Socioeconomic Status

PubMed Central

Fossett, Mark

2011-01-01

This paper considers the potential for using agent models to explore theories of residential segregation in urban areas. Results of generative experiments conducted using an agent-based simulation of segregation dynamics document that varying a small number of model parameters representing constructs from urban-ecological theories of segregation can generate a wide range of qualitatively distinct and substantively interesting segregation patterns. The results suggest how complex, macro-level patterns of residential segregation can arise from a small set of simple micro-level social dynamics operating within particular urban-demographic contexts. The promise and current limitations of agent simulation studies are noted and optimism is expressed regarding the potential for such studies to engage and contribute to the broader research literature on residential segregation. PMID:21379372

Discovery of potential ZAP-70 kinase inhibitors: pharmacophore design, database screening and docking studies.

PubMed

Sanam, Ramadevi; Vadivelan, S; Tajne, Sunita; Narasu, Lakshmi; Rambabu, G; Jagarlapudi, Sarma A R P

2009-12-01

The best ZAP-70 inhibitor model consists of four-pharmacophore features, (1) one hydrogen bond acceptor, (2) one hydrogen bond donor (3) one hydrophobic aliphatic and (4) one hydrophobic aromatic features. This model was validated against 110 known ZAP-70 inhibitors with a correlation of 0.902 as well as enrichment factor of 1.61 against a maximum value of 2. This model picked 4094 hits from a database of 238,819 molecules while 358 molecules were indicated as highly active. Subsequently, docking studies were performed on the hits and novel series of potent leads were suggested based on the interactions energy between ZAP-70 and the putative inhibitors which validated not only the virtual screening potential of the model but also identified the possible new Chemotypes.

A Bone-Implant Interaction Mouse Model for Evaluating Molecular Mechanism of Biomaterials/Bone Interaction.

PubMed

Liu, Wenlong; Dan, Xiuli; Wang, Ting; Lu, William W; Pan, Haobo

2016-11-01

The development of an optimal animal model that could provide fast assessments of the interaction between bone and orthopedic implants is essential for both preclinical and theoretical researches in the design of novel biomaterials. Compared with other animal models, mice have superiority in accessing the well-developed transgenic modification techniques (e.g., cell tracing, knockoff, knockin, and so on), which serve as powerful tools in studying molecular mechanisms. In this study, we introduced the establishment of a mouse model, which was specifically tailored for the assessment of bone-implant interaction in a load-bearing bone marrow microenvironment and could potentially allow the molecular mechanism study of biomaterials by using transgenic technologies. The detailed microsurgery procedures for developing a bone defect (Φ = 0.8 mm) at the metaphysis region of the mouse femur were recorded. According to our results, the osteoconductive and osseointegrative properties of a well-studied 45S5 bioactive glass were confirmed by utilizing our mouse model, verifying the reliability of this model. The feasibility and reliability of the present model were further checked by using other materials as objects of study. Furthermore, our results indicated that this animal model provided a more homogeneous tissue-implant interacting surface than the rat at the early stage of implantation and this is quite meaningful for conducting quantitative analysis. The availability of transgenic techniques to mechanism study of biomaterials was further testified by establishing our model on Nestin-GFP transgenic mice. Intriguingly, the distribution of Nestin + cells was demonstrated to be recruited to the surface of 45S5 glass as early as 3 days postsurgery, indicating that Nestin + lineage stem cells may participate in the subsequent regeneration process. In summary, the bone-implant interaction mouse model could serve as a potential candidate to evaluate the early stage tissue response near the implant surface in a bone marrow microenvironment, and it also shows great potential in making transgenic animal resource applicable to biomaterial studies, so that the design of novel biomaterials could be better guided.

Electric field effects on current–voltage relationships in microfluidic channels presenting multiple working electrodes in the weak-coupling limit

DOE PAGES

Contento, Nicholas M.; Bohn, Paul W.

2014-05-23

While electrochemical methods are well suited for lab-on-a-chip applications, reliably coupling multiple, electrode-controlled processes in a single microfluidic channel remains a considerable challenge, because the electric fields driving electrokinetic flow make it difficult to establish a precisely known potential at the working electrode(s). The challenge of coupling electrochemical detection with microchip electrophoresis is well known; however, the problem is general, arising in other multielectrode arrangements with applications in enhanced detection and chemical processing. Here, we study the effects of induced electric fields on voltammetric behavior in a microchannel containing multiple in-channel electrodes, using a Fe(CN) 6 3/4- model system. Whenmore » an electric field is induced by applying a cathodic potential at one inchannel electrode, the half-wave potential (E 1/2) for the oxidation of ferrocyanide at an adjacent electrode shifts to more negative potentials. The E 1/2 value depends linearly on the electric field current at a separate in-channel electrode. The observed shift in E 1/2 is quantitatively described by a model, which accounts for the change in solution potential caused by the iR drop along the length of the microchannel. The model, which reliably captures changes in electrode location and solution conductivity, apportions the electric field potential between iR drop and electrochemical potential components, enabling the study of microchannel electric field magnitudes at low applied potentials. In the system studied, the iR component of the electric field potential increases exponentially with applied current before reaching an asymptotic value near 80 % of the total applied potential. The methods described will aid in the development and interpretation of future microchip electrochemistry methods, particularly those that benefit from the coupling of electrokinetic and electrochemical phenomena at low voltages.« less

GIS-based groundwater potential mapping using boosted regression tree, classification and regression tree, and random forest machine learning models in Iran.

PubMed

Naghibi, Seyed Amir; Pourghasemi, Hamid Reza; Dixon, Barnali

2016-01-01

Groundwater is considered one of the most valuable fresh water resources. The main objective of this study was to produce groundwater spring potential maps in the Koohrang Watershed, Chaharmahal-e-Bakhtiari Province, Iran, using three machine learning models: boosted regression tree (BRT), classification and regression tree (CART), and random forest (RF). Thirteen hydrological-geological-physiographical (HGP) factors that influence locations of springs were considered in this research. These factors include slope degree, slope aspect, altitude, topographic wetness index (TWI), slope length (LS), plan curvature, profile curvature, distance to rivers, distance to faults, lithology, land use, drainage density, and fault density. Subsequently, groundwater spring potential was modeled and mapped using CART, RF, and BRT algorithms. The predicted results from the three models were validated using the receiver operating characteristics curve (ROC). From 864 springs identified, 605 (≈70 %) locations were used for the spring potential mapping, while the remaining 259 (≈30 %) springs were used for the model validation. The area under the curve (AUC) for the BRT model was calculated as 0.8103 and for CART and RF the AUC were 0.7870 and 0.7119, respectively. Therefore, it was concluded that the BRT model produced the best prediction results while predicting locations of springs followed by CART and RF models, respectively. Geospatially integrated BRT, CART, and RF methods proved to be useful in generating the spring potential map (SPM) with reasonable accuracy.

[Contribution of endogenous potentials to the study of cognitive development in children: review of the literature].

PubMed

Robaey, P

1987-09-01

A review of the studies concerning age-related changes of the cognitive event-related potentials is presented. Graded changes (with little or no difference in waveform morphology but shifts in component latency or amplitude) draw to continuous developmental models, but morphological waveform differences are assumed to reflect fundamental differences in modes of cognitive processing. The authors equally present an experimental paradigm indicating that a multifactorial model of amplitude variations is able to reflect the passing from one cognitive stage to the next one, according to Piaget's theory.

Modelling potential changes in marine biogeochemistry due to large-scale offshore tidal energy extraction

NASA Astrophysics Data System (ADS)

van der Molen, Johan

2015-04-01

Tidal power generation through submerged turbine-type devices is in an advanced stage of testing, and large-scale applications are being planned in areas with high tidal current speeds. The potential impact of such large-scale applications on the hydrography can be investigated using hydrodynamical models. In addition, aspects of the potential impact on the marine ecosystem can be studied using biogeochemical models. In this study, the coupled hydrodynamics-biogeochemistry model GETM-ERSEM is used in a shelf-wide application to investigate the potential impact of large-scale tidal power generation in the Pentland Firth. A scenario representing the currently licensed power extraction suggested i) an average reduction in M2 tidal current velocities of several cm/s within the Pentland Firth, ii) changes in the residual circulation of several mm/s in the vicinity of the Pentland Firth, iii) an increase in M2 tidal amplitude of up to 1 cm to the west of the Pentland Firth, and iv) a reduction of several mm in M2 tidal amplitude along the east coast of the UK. A second scenario representing 10 times the currently licensed power extraction resulted in changes that were approximately 10 times as large. Simulations including the biogeochemistry model for these scenarios are currently in preparation, and first results will be presented at the the conference, aiming at impacts on primary production and benthic production.

Propensity score models in observational comparative effectiveness studies: cornerstone of design or statistical afterthought?

PubMed

Robinson, John W

2012-03-01

Propensity score models are increasingly used in observational comparative effectiveness studies to reduce confounding by covariates that are associated with both a study outcome and treatment choice. Any such potentially confounding covariate will bias estimation of the effect of treatment on the outcome, unless the distribution of that covariate is well-balanced between treatment and control groups. Constructing a subsample of treated and control subjects who are matched on estimated propensity scores is a means of achieving such balance for covariates that are included in the propensity score model. If, during study design, investigators assemble a comprehensive inventory of known and suspected potentially confounding covariates, examination of how well this inventory is covered by the chosen dataset yields an assessment of the extent of bias reduction that is possible by matching on estimated propensity scores. These considerations are explored by examining the designs of three recently published comparative effectiveness studies.

Multilevel Modeling and Policy Development: Guidelines and Applications to Medical Travel.

PubMed

Garcia-Garzon, Eduardo; Zhukovsky, Peter; Haller, Elisa; Plakolm, Sara; Fink, David; Petrova, Dafina; Mahalingam, Vaishali; Menezes, Igor G; Ruggeri, Kai

2016-01-01

Medical travel has expanded rapidly in recent years, resulting in new markets and increased access to medical care. Whereas several studies investigated the motives of individuals seeking healthcare abroad, the conventional analytical approach is limited by substantial caveats. Classical techniques as found in the literature cannot provide sufficient insight due to the nested nature of data generated. The application of adequate analytical techniques, specifically multilevel modeling, is scarce to non-existent in the context of medical travel. This study introduces the guidelines for application of multilevel techniques in public health research by presenting an application of multilevel modeling in analyzing the decision-making patterns of potential medical travelers. Benefits and potential limitations are discussed.

Multilevel Modeling and Policy Development: Guidelines and Applications to Medical Travel

PubMed Central

Garcia-Garzon, Eduardo; Zhukovsky, Peter; Haller, Elisa; Plakolm, Sara; Fink, David; Petrova, Dafina; Mahalingam, Vaishali; Menezes, Igor G.; Ruggeri, Kai

2016-01-01

Medical travel has expanded rapidly in recent years, resulting in new markets and increased access to medical care. Whereas several studies investigated the motives of individuals seeking healthcare abroad, the conventional analytical approach is limited by substantial caveats. Classical techniques as found in the literature cannot provide sufficient insight due to the nested nature of data generated. The application of adequate analytical techniques, specifically multilevel modeling, is scarce to non-existent in the context of medical travel. This study introduces the guidelines for application of multilevel techniques in public health research by presenting an application of multilevel modeling in analyzing the decision-making patterns of potential medical travelers. Benefits and potential limitations are discussed. PMID:27252672

Implications of nonrandom seed abscission and global stilling for migration of wind-dispersed plant species.

PubMed

Thompson, Sally E; Katul, Gabriel G

2013-06-01

Migration of plant populations is a potential survival response to climate change that depends critically on seed dispersal. Biological and physical factors determine dispersal and migration of wind-dispersed species. Recent field and wind tunnel studies demonstrate biological adaptations that bias seed release toward conditions of higher wind velocity, promoting longer dispersal distances and faster migration. However, another suite of international studies also recently highlighted a global decrease in near-surface wind speeds, or 'global stilling'. This study assessed the implications of both factors on potential plant population migration rates, using a mechanistic modeling framework. Nonrandom abscission was investigated using models of three seed release mechanisms: (i) a simple drag model; (ii) a seed deflection model; and (iii) a 'wear and tear' model. The models generated a single functional relationship between the frequency of seed release and statistics of the near-surface wind environment, independent of the abscission mechanism. An Inertial-Particle, Coupled Eulerian-Lagrangian Closure model (IP-CELC) was used to investigate abscission effects on seed dispersal kernels and plant population migration rates under contemporary and potential future wind conditions (based on reported global stilling trends). The results confirm that nonrandom seed abscission increased dispersal distances, particularly for light seeds. The increases were mitigated by two physical feedbacks: (i) although nonrandom abscission increased the initial acceleration of seeds from rest, the sensitivity of the seed dispersal to this initial condition declined as the wind speed increased; and (ii) while nonrandom abscission increased the mean dispersal length, it reduced the kurtosis of seasonal dispersal kernels, and thus the chance of long-distance dispersal. Wind stilling greatly reduced the modeled migration rates under biased seed release conditions. Thus, species that require high wind velocities for seed abscission could experience threshold-like reductions in dispersal and migration potential if near-surface wind speeds continue to decline. © 2013 Blackwell Publishing Ltd.

Impacts of Model Building Energy Codes

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

Athalye, Rahul A.; Sivaraman, Deepak; Elliott, Douglas B.

The U.S. Department of Energy (DOE) Building Energy Codes Program (BECP) periodically evaluates national and state-level impacts associated with energy codes in residential and commercial buildings. Pacific Northwest National Laboratory (PNNL), funded by DOE, conducted an assessment of the prospective impacts of national model building energy codes from 2010 through 2040. A previous PNNL study evaluated the impact of the Building Energy Codes Program; this study looked more broadly at overall code impacts. This report describes the methodology used for the assessment and presents the impacts in terms of energy savings, consumer cost savings, and reduced CO 2 emissions atmore » the state level and at aggregated levels. This analysis does not represent all potential savings from energy codes in the U.S. because it excludes several states which have codes which are fundamentally different from the national model energy codes or which do not have state-wide codes. Energy codes follow a three-phase cycle that starts with the development of a new model code, proceeds with the adoption of the new code by states and local jurisdictions, and finishes when buildings comply with the code. The development of new model code editions creates the potential for increased energy savings. After a new model code is adopted, potential savings are realized in the field when new buildings (or additions and alterations) are constructed to comply with the new code. Delayed adoption of a model code and incomplete compliance with the code’s requirements erode potential savings. The contributions of all three phases are crucial to the overall impact of codes, and are considered in this assessment.« less

A Resource-Based Modelling Framework to Assess Habitat Suitability for Steppe Birds in Semiarid Mediterranean Agricultural Systems

PubMed Central

Cardador, Laura; De Cáceres, Miquel; Bota, Gerard; Giralt, David; Casas, Fabián; Arroyo, Beatriz; Mougeot, François; Cantero-Martínez, Carlos; Moncunill, Judit; Butler, Simon J.; Brotons, Lluís

2014-01-01

European agriculture is undergoing widespread changes that are likely to have profound impacts on farmland biodiversity. The development of tools that allow an assessment of the potential biodiversity effects of different land-use alternatives before changes occur is fundamental to guiding management decisions. In this study, we develop a resource-based model framework to estimate habitat suitability for target species, according to simple information on species’ key resource requirements (diet, foraging habitat and nesting site), and examine whether it can be used to link land-use and local species’ distribution. We take as a study case four steppe bird species in a lowland area of the north-eastern Iberian Peninsula. We also compare the performance of our resource-based approach to that obtained through habitat-based models relating species’ occurrence and land-cover variables. Further, we use our resource-based approach to predict the effects that change in farming systems can have on farmland bird habitat suitability and compare these predictions with those obtained using the habitat-based models. Habitat suitability estimates generated by our resource-based models performed similarly (and better for one study species) than habitat based-models when predicting current species distribution. Moderate prediction success was achieved for three out of four species considered by resource-based models and for two of four by habitat-based models. Although, there is potential for improving the performance of resource-based models, they provide a structure for using available knowledge of the functional links between agricultural practices, provision of key resources and the response of organisms to predict potential effects of changing land-uses in a variety of context or the impacts of changes such as altered management practices that are not easily incorporated into habitat-based models. PMID:24667825

A novel microfluidic model can mimic organ-specific metastasis of circulating tumor cells.

PubMed

Kong, Jing; Luo, Yong; Jin, Dong; An, Fan; Zhang, Wenyuan; Liu, Lilu; Li, Jiao; Fang, Shimeng; Li, Xiaojie; Yang, Xuesong; Lin, Bingcheng; Liu, Tingjiao

2016-11-29

A biomimetic microsystem might compensate costly and time-consuming animal metastatic models. Herein we developed a biomimetic microfluidic model to study cancer metastasis. Primary cells isolated from different organs were cultured on the microlfuidic model to represent individual organs. Breast and salivary gland cancer cells were driven to flow over primary cell culture chambers, mimicking dynamic adhesion of circulating tumor cells (CTCs) to endothelium in vivo. These flowing artificial CTCs showed different metastatic potentials to lung on the microfluidic model. The traditional nude mouse model of lung metastasis was performed to investigate the physiological similarity of the microfluidic model to animal models. It was found that the metastatic potential of different cancer cells assessed by the microfluidic model was in agreement with that assessed by the nude mouse model. Furthermore, it was demonstrated that the metastatic inhibitor AMD3100 inhibited lung metastasis effectively in both the microfluidic model and the nude mouse model. Then the microfluidic model was used to mimick liver and bone metastasis of CTCs and confirm the potential for research of multiple-organ metastasis. Thus, the metastasis of CTCs to different organs was reconstituted on the microfluidic model. It may expand the capabilities of traditional cell culture models, providing a low-cost, time-saving, and rapid alternative to animal models.

Heat conduction in one-dimensional lattices with on-site potential.

PubMed

Savin, A V; Gendelman, O V

2003-04-01

The process of heat conduction in one-dimensional lattices with on-site potential is studied by means of numerical simulation. Using the discrete Frenkel-Kontorova, phi(4), and sinh-Gordon models we demonstrate that contrary to previously expressed opinions the sole anharmonicity of the on-site potential is insufficient to ensure the normal heat conductivity in these systems. The character of the heat conduction is determined by the spectrum of nonlinear excitations peculiar for every given model and therefore depends on the concrete potential shape and the temperature of the lattice. The reason is that the peculiarities of the nonlinear excitations and their interactions prescribe the energy scattering mechanism in each model. For sine-Gordon and phi(4) models, phonons are scattered at a dynamical lattice of topological solitons; for sinh-Gordon and for phi(4) in a different parameter regime the phonons are scattered at localized high-frequency breathers (in the case of phi(4) the scattering mechanism switches with the growth of the temperature).

Predicting cerulean warbler habitat use in the Cumberland Mountains of Tennessee

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

Buehler, D.A.; Welton, M.J.; Beachy, T.A.

2006-12-15

We developed a habitat model to predict cerulean warbler (Dendroica cerulea) habitat availability in the Cumberland Mountains of eastern Tennessee. We used 7 remotely sensed vegetation and topographic landform explanatory variables and known locations of territorial male cerulean warblers mapped in 2003 as the response variable to develop a Mahalanobis distance statistic model of potential habitat. We evaluated the accuracy of the model based on field surveys for ceruleans during the 2004 breeding season. The model performed well with an 80% correct classification of cerulean presence based on the validation data, although prediction of absence was only 54% correct. Wemore » extrapolated from potential habitat to cerulean abundance based on density estimates from territory mapping on 8 20-ha plots in 2005. Over the 200,000-ha study area, we estimated there were 80,584 ha of potential habitat, capable of supporting about 36,500 breeding pairs. We applied the model to the 21,609-ha state-owned Royal Blue Wildlife Management Area to evaluate the potential effects of coal surface mining as one example of a potential conflict between land use and cerulean warbler conservation. Our models suggest coal surface mining could remove 2,954 ha of cerulean habitat on Royal Blue Wildlife Management Area and could displace 2,540 breeding pairs (23% of the Royal Blue population). A comprehensive conservation strategy is needed to address potential and realized habitat loss and degradation on the breeding grounds, during migration, and on the wintering grounds.« less

Modeling Habitat of the Desert Tortoise (Gopherus agassizii) in the Mojave and Parts of the Sonoran Deserts of California, Nevada, Utah, and Arizona

USGS Publications Warehouse

Nussear, Kenneth E.; Esque, Todd C.; Inman, Richard D.; Gass, Leila; Thomas, Kathryn A.; Wallace, Cynthia S.A.; Blainey, Joan B.; Miller, David M.; Webb, Robert H.

2009-01-01

Habitat modeling is an important tool used to simulate the potential distribution of a species for a variety of basic and applied questions. The desert tortoise (Gopherus agassizii) is a federally listed threatened species in the Mojave Desert and parts of the Sonoran Desert of California, Nevada, Utah, and Arizona. Land managers in this region require reliable information about the potential distribution of desert tortoise habitat to plan conservation efforts, guide monitoring activities, monitor changes in the amount and quality of habitat available, minimize and mitigate disturbances, and ultimately to assess the status of the tortoise and its habitat toward recovery of the species. By applying information from the literature and our knowledge or assumptions of environmental variables that could potentially explain variability in the quality of desert tortoise habitat, we developed a quantitative habitat model for the desert tortoise using an extensive set of field-collected presence data. Sixteen environmental data layers were converted into a grid covering the study area and merged with the desert tortoise presence data that we gathered for input into the Maxent habitat-modeling algorithm. This model provides output of the statistical probability of habitat potential that can be used to map potential areas of desert tortoise habitat. This type of analysis, while robust in its predictions of habitat, does not account for anthropogenic changes that may have altered habitat with relatively high potential into areas with lower potential.

Effect of electron reflection on magnetized plasma sheath in an oblique magnetic field

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

Wang, Ting-Ting; Ma, J. X., E-mail: jxma@ustc.edu.cn; Wei, Zi-An

Magnetized plasma sheaths in an oblique magnetic field were extensively investigated by conventionally assuming Boltzmann relation for electron density. This article presents the study of the magnetized sheath without using the Boltzmann relation but by considering the electron reflection along the magnetic field lines caused by the negative sheath potential. A generalized Bohm criterion is analytically derived, and sheath profiles are numerically obtained, which are compared with the results of the conventional model. The results show that the ion Mach number at the sheath edge normal to the wall has a strong dependence on the wall potential, which differs significantlymore » from the conventional model in which the Mach number is independent of the wall potential. The floating wall potential is lower in the present model than that in the conventional model. Furthermore, the sheath profiles are appreciably narrower in the present model when the wall bias is low, but approach the result of the conventional model when the wall bias is high. The sheath thickness decreases with the increase of ion-to-electron temperature ratio and magnetic field strength but has a complex relationship with the angle of the magnetic field.« less

Oral Lichen Planus as a Preneoplastic Inflammatory Model

PubMed Central

Georgakopoulou, Eleni A.; Achtari, Marina D.; Achtaris, Michael; Foukas, Periklis G.; Kotsinas, Athanassios

2012-01-01

Oral lichen planus (OLP) is a chronic oral inflammatory disease of unknown etiology. According to reports, 1-2% of OLP patients develop oral squamous cell carcinoma (OSCC) in the long run. While World Health Organization (WHO) classifies OLP as “a potentially malignant disorder,” it is still a matter of debate which mechanisms drive OLP to such a condition. The current hypothesis connecting OLP and OSCC is that chronic inflammation results in crucial DNA damage which over time results in cancer development. Initial studies investigating the OLP and OSCC link were mainly retrospective clinical studies. Over the past years, several amount of information has accumulated, mainly from molecular studies on the OLP malignant potential. This article is a critical review of whether OLP has a malignant potential and, therefore, represents a model of preneoplastic inflammation. PMID:22675259

Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

NASA Astrophysics Data System (ADS)

Octaviani, Mega; Tost, Holger; Lammel, Gerhard

2017-04-01

Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

Case studies, cross-site comparisons, and the challenge of generalization: comparing agent-based models of land-use change in frontier regions

PubMed Central

Parker, Dawn C.; Entwisle, Barbara; Rindfuss, Ronald R.; Vanwey, Leah K.; Manson, Steven M.; Moran, Emilio; An, Li; Deadman, Peter; Evans, Tom P.; Linderman, Marc; Rizi, S. Mohammad Mussavi; Malanson, George

2009-01-01

Cross-site comparisons of case studies have been identified as an important priority by the land-use science community. From an empirical perspective, such comparisons potentially allow generalizations that may contribute to production of global-scale land-use and land-cover change projections. From a theoretical perspective, such comparisons can inform development of a theory of land-use science by identifying potential hypotheses and supporting or refuting evidence. This paper undertakes a structured comparison of four case studies of land-use change in frontier regions that follow an agent-based modeling approach. Our hypothesis is that each case study represents a particular manifestation of a common process. Given differences in initial conditions among sites and the time at which the process is observed, actual mechanisms and outcomes are anticipated to differ substantially between sites. Our goal is to reveal both commonalities and differences among research sites, model implementations, and ultimately, conclusions derived from the modeling process. PMID:19960107

Case studies, cross-site comparisons, and the challenge of generalization: comparing agent-based models of land-use change in frontier regions.

PubMed

Parker, Dawn C; Entwisle, Barbara; Rindfuss, Ronald R; Vanwey, Leah K; Manson, Steven M; Moran, Emilio; An, Li; Deadman, Peter; Evans, Tom P; Linderman, Marc; Rizi, S Mohammad Mussavi; Malanson, George

2008-01-01

Cross-site comparisons of case studies have been identified as an important priority by the land-use science community. From an empirical perspective, such comparisons potentially allow generalizations that may contribute to production of global-scale land-use and land-cover change projections. From a theoretical perspective, such comparisons can inform development of a theory of land-use science by identifying potential hypotheses and supporting or refuting evidence. This paper undertakes a structured comparison of four case studies of land-use change in frontier regions that follow an agent-based modeling approach. Our hypothesis is that each case study represents a particular manifestation of a common process. Given differences in initial conditions among sites and the time at which the process is observed, actual mechanisms and outcomes are anticipated to differ substantially between sites. Our goal is to reveal both commonalities and differences among research sites, model implementations, and ultimately, conclusions derived from the modeling process.

The impact of sea surface currents in wave power potential modeling

NASA Astrophysics Data System (ADS)

Zodiatis, George; Galanis, George; Kallos, George; Nikolaidis, Andreas; Kalogeri, Christina; Liakatas, Aristotelis; Stylianou, Stavros

2015-11-01

The impact of sea surface currents to the estimation and modeling of wave energy potential over an area of increased economic interest, the Eastern Mediterranean Sea, is investigated in this work. High-resolution atmospheric, wave, and circulation models, the latter downscaled from the regional Mediterranean Forecasting System (MFS) of the Copernicus marine service (former MyOcean regional MFS system), are utilized towards this goal. The modeled data are analyzed by means of a variety of statistical tools measuring the potential changes not only in the main wave characteristics, but also in the general distribution of the wave energy and the wave parameters that mainly affect it, when using sea surface currents as a forcing to the wave models. The obtained results prove that the impact of the sea surface currents is quite significant in wave energy-related modeling, as well as temporally and spatially dependent. These facts are revealing the necessity of the utilization of the sea surface currents characteristics in renewable energy studies in conjunction with their meteo-ocean forecasting counterparts.

Mechanoelectric feedback in a model of the passively inflated left ventricle.

PubMed

Vetter, F J; McCulloch, A D

2001-05-01

Mechanoelectric feedback has been described in isolated cells and intact ventricular myocardium, but the mechanical stimulus that governs mechanosensitive channel activity in intact tissue is unknown. To study the interaction of myocardial mechanics and electrophysiology in multiple dimensions, we used a finite element model of the rabbit ventricles to simulate electrical propagation through passively loaded myocardium. Electrical propagation was simulated using the collocation-Galerkin finite element method. A stretch-dependent current was added in parallel to the ionic currents in the Beeler-Reuter ventricular action potential model. We investigated different mechanical coupling parameters to simulate stretch-dependent conductance modulated by either fiber strain, cross-fiber strain, or a combination of the two. In response to pressure loading, the conductance model governed by fiber strain alone reproduced the epicardial decrease in action potential amplitude as observed in experimental preparations of the passively loaded rabbit heart. The model governed by only cross-fiber strain reproduced the transmural gradient in action potential amplitude as observed in working canine heart experiments, but failed to predict a sufficient decrease in amplitude at the epicardium. Only the model governed by both fiber and cross-fiber strain reproduced the epicardial and transmural changes in action potential amplitude similar to experimental observations. In addition, dispersion of action potential duration nearly doubled with the same model. These results suggest that changes in action potential characteristics may be due not only to length changes along the long axis direction of the myofiber, but also due to deformation in the plane transverse to the fiber axis. The model provides a framework for investigating how cellular biophysics affect the function of the intact ventricles.

A system dynamics approach to analyze laboratory test errors.

PubMed

Guo, Shijing; Roudsari, Abdul; Garcez, Artur d'Avila

2015-01-01

Although many researches have been carried out to analyze laboratory test errors during the last decade, it still lacks a systemic view of study, especially to trace errors during test process and evaluate potential interventions. This study implements system dynamics modeling into laboratory errors to trace the laboratory error flows and to simulate the system behaviors while changing internal variable values. The change of the variables may reflect a change in demand or a proposed intervention. A review of literature on laboratory test errors was given and provided as the main data source for the system dynamics model. Three "what if" scenarios were selected for testing the model. System behaviors were observed and compared under different scenarios over a period of time. The results suggest system dynamics modeling has potential effectiveness of helping to understand laboratory errors, observe model behaviours, and provide a risk-free simulation experiments for possible strategies.

Examination of a lumbar spine biomechanical model for assessing axial compression, shear, and bending moment using selected Olympic lifts.

PubMed

Eltoukhy, Moataz; Travascio, Francesco; Asfour, Shihab; Elmasry, Shady; Heredia-Vargas, Hector; Signorile, Joseph

2016-09-01

Loading during concurrent bending and compression associated with deadlift, hang clean and hang snatch lifts carries the potential for injury to the intervertebral discs, muscles and ligaments. This study examined the capacity of a newly developed spinal model to compute shear and compressive forces, and bending moments in lumbar spine for each lift. Five male subjects participated in the study. The spine was modeled as a chain of rigid bodies (vertebrae) connected via the intervertebral discs. Each vertebral reference frame was centered in the center of mass of the vertebral body, and its principal directions were axial, anterior-posterior, and medial-lateral. The results demonstrated the capacity of this spinal model to assess forces and bending moments at and about the lumbar vertebrae by showing the variations among these variables with different lifting techniques. These results show the model's potential as a diagnostic tool.

Reducing Potentially Avoidable Complications in Patients with Chronic Diseases: The Prometheus Payment Approach

PubMed Central

de Brantes, Francois; Rastogi, Amita; Painter, Michael

2010-01-01

Objective (or Study Question) To determine whether a new payment model can reduce current incidence of potentially avoidable complications (PACs) in patients with a chronic illness. Data Sources/Study Setting A claims database of 3.5 million commercially insured members under age 65. Study Design We analyzed the database using the Prometheus Payment model's analytical software for six chronic conditions to quantify total costs, proportion spent on PACs, and their variability across the United States. We conducted a literature review to determine the feasibility of reducing PACs. We estimated the financial impact on a prototypical practice if that practice received payments based on the Prometheus Payment model. Principal Findings We find that (1) PACs consume an average of 28.6 percent of costs for the six chronic conditions studied and vary significantly; (2) reducing PACs to the second decile level would save U.S.$116.7 million in this population; (3) current literature suggests that practices in certain settings could decrease PACs; and (4) using the Prometheus model could create a large potential incentive for a prototypical practice to reduce PACs. Conclusions By extrapolating these findings we conclude that costs might be reduced through payment reform efforts. A full extrapolation of these results, while speculative, suggests that total costs associated to the six chronic conditions studied could decrease by 3.8 percent. PMID:20662949

Challenges of predicting the potential distribution of a slow-spreading invader: a habitat suitability map for an invasive riparian tree

USGS Publications Warehouse

Jarnevich, Catherine S.; Reynolds, Lindsay V.

2011-01-01

Understanding the potential spread of invasive species is essential for land managers to prevent their establishment and restore impacted habitat. Habitat suitability modeling provides a tool for researchers and managers to understand the potential extent of invasive species spread. Our goal was to use habitat suitability modeling to map potential habitat of the riparian plant invader, Russian olive (Elaeagnus angustifolia). Russian olive has invaded riparian habitat across North America and is continuing to expand its range. We compiled 11 disparate datasets for Russian olive presence locations (n = 1,051 points and 139 polygons) in the western US and used Maximum entropy (Maxent) modeling to develop two habitat suitability maps for Russian olive in the western United States: one with coarse-scale water data and one with fine-scale water data. Our models were able to accurately predict current suitable Russian olive habitat (Coarse model: training AUC = 0.938, test AUC = 0.907; Fine model: training AUC = 0.923, test AUC = 0.885). Distance to water was the most important predictor for Russian olive presence in our coarse-scale water model, but it was only the fifth most important variable in the fine-scale model, suggesting that when water bodies are considered on a fine scale, Russian olive does not necessarily rely on water. Our model predicted that Russian olive has suitable habitat further west from its current distribution, expanding into the west coast and central North America. Our methodology proves useful for identifying potential future areas of invasion. Model results may be influenced by locations of cultivated individuals and sampling bias. Further study is needed to examine the potential for Russian olive to invade beyond its current range. Habitat suitability modeling provides an essential tool for enhancing our understanding of invasive species spread.

Potential for spatial displacement of Cook Inlet beluga whales by anthropogenic noise in critical habitat

USGS Publications Warehouse

Small, Robert J.; Brost, Brian M.; Hooten, Mevin B.; Castellote, Manuel; Mondragon, Jeffrey

2017-01-01

The population of beluga whales in Cook Inlet, Alaska, USA, declined by nearly half in the mid-1990s, primarily from an unsustainable harvest, and was listed as endangered in 2008. In 2014, abundance was ~340 whales, and the population trend during 1999-2014 was -1.3% yr-1. Cook Inlet beluga whales are particularly vulnerable to anthropogenic impacts, and noise that has the potential to reduce communication and echolocation range considerably has been documented in critical habitat; thus, noise was ranked as a high potential threat in the Cook Inlet beluga Recovery Plan. The current recovery strategy includes research on effects of threats potentially limiting recovery, and thus we examined the potential impact of anthropogenic noise in critical habitat, specifically, spatial displacement. Using a subset of data on anthropogenic noise and beluga detections from a 5 yr acoustic study, we evaluated the influence of noise events on beluga occupancy probability. We used occupancy models, which account for factors that affect detection probability when estimating occupancy, the first application of these models to examine the potential impacts of anthropogenic noise on marine mammal behavior. Results were inconclusive, primarily because beluga detections were relatively infrequent. Even though noise metrics (sound pressure level and noise duration) appeared in high-ranking models as covariates for occupancy probability, the data were insufficient to indicate better predictive ability beyond those models that only included environmental covariates. Future studies that implement protocols designed specifically for beluga occupancy will be most effective for accurately estimating the effect of noise on beluga displacement.

Predictive models reduce talent development costs in female gymnastics.

PubMed

Pion, Johan; Hohmann, Andreas; Liu, Tianbiao; Lenoir, Matthieu; Segers, Veerle

2017-04-01

This retrospective study focuses on the comparison of different predictive models based on the results of a talent identification test battery for female gymnasts. We studied to what extent these models have the potential to optimise selection procedures, and at the same time reduce talent development costs in female artistic gymnastics. The dropout rate of 243 female elite gymnasts was investigated, 5 years past talent selection, using linear (discriminant analysis) and non-linear predictive models (Kohonen feature maps and multilayer perceptron). The coaches classified 51.9% of the participants correct. Discriminant analysis improved the correct classification to 71.6% while the non-linear technique of Kohonen feature maps reached 73.7% correctness. Application of the multilayer perceptron even classified 79.8% of the gymnasts correctly. The combination of different predictive models for talent selection can avoid deselection of high-potential female gymnasts. The selection procedure based upon the different statistical analyses results in decrease of 33.3% of cost because the pool of selected athletes can be reduced to 92 instead of 138 gymnasts (as selected by the coaches). Reduction of the costs allows the limited resources to be fully invested in the high-potential athletes.

Conformational distribution of n-hexane in a nematic liquid crystal obtained from nuclear spin dipolar couplings by Monte Carlo sampling

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

Luzar, M.; Rosen, M.E.; Caldarelli, S.

Motionally averaged proton-proton dipolar couplings measured by nuclear magnetic resonance (NMR) spectroscopy can provide information about the conformations and orientations sampled by partially oriented molecules. In this study, the measured dipolar couplings between pairs of protons on n-hexane dissolved in a nematic liquid crystal solvent are used as constraints in a Monte Carlo sampling of the conformations and orientations of n-hexane. Rotation about each carbon-carbon bond in the molecule is modeled by the complete sinusoidal torsional potential of Ryckaert and Bellemans rather than by the three-state rotational isomeric states (RIS) model that has been used in previous studies. Comparison ofmore » the results of the simulations using the Ryckaert-Bellemans potential and the RIS model indicates little difference in the values of the adjustable parameters and the quality of the fits to the experimental data. The primary difference between the models appears in the calculated conformer probability distributions for n-hexane, highlighting the importance of the exact shape of the torsional potential used to model carbon-carbon bond rotation in organic molecules. 23 refs., 3 figs., 4 tabs.« less

Toxicity of Nanoparticles and an Overview of Current Experimental Models.

PubMed

Bahadar, Haji; Maqbool, Faheem; Niaz, Kamal; Abdollahi, Mohammad

2016-01-01

Nanotechnology is a rapidly growing field having potential applications in many areas. Nanoparticles (NPs) have been studied for cell toxicity, immunotoxicity, and genotoxicity. Tetrazolium-based assays such as MTT, MTS, and WST-1 are used to determine cell viability. Cell inflammatory response induced by NPs is checked by measuring inflammatory biomarkers, such as IL-8, IL-6, and tumor necrosis factor, using ELISA. Lactate dehydrogenase (LDH) assay is used for cell membrane integrity. Different types of cell cultures, including cancer cell lines have been employed as in vitro toxicity models. It has been generally agreed that NPs interfere with either assay materials or with detection systems. So far, toxicity data generated by employing such models are conflicting and inconsistent. Therefore, on the basis of available experimental models, it may be difficult to judge and list some of the more valuable NPs as more toxic to biological systems and vice versa. Considering the potential applications of NPs in many fields and the growing apprehensions of FDA about the toxic potential of nanoproducts, it is the need of the hour to look for new internationally agreed free of bias toxicological models by focusing more on in vivo studies.

The Neural Basis of Insight Problem Solving: An Event-Related Potential Study

ERIC Educational Resources Information Center

Qiu, Jiang; Li, Hong; Yang, Dong; Luo, Yuejia; Li, Ying; Wu, Zhenzhen; Zhang, Qinglin

2008-01-01

The electrophysiological correlates of successful insight problem solving (Chinese logogriphs) were studied in 18 healthy subjects using high-density event-related potentials (ERPs). A new experimental paradigm (learning-testing model) was adopted in order to make subjects find a solution on their own initiative rather than receive an answer…

Determination of Landslide and Driftwood Potentials by Fixed-wing UAV-Borne RGB and NIR images: A Case Study of Shenmu Area in Taiwan

NASA Astrophysics Data System (ADS)

Chen, Su-Chin; Hsiao, Yu-Shen; Chung, Ta-Hsien

2015-04-01

This study is aimed at determining the landslide and driftwood potentials at Shenmu area in Taiwan by Unmanned Aerial Vehicle (UAV). High-resolution orthomosaics and digital surface models (DSMs) are both obtained from several UAV practical surveys by using a red-green-blue(RGB) camera and a near-infrared(NIR) one, respectively. Couples of artificial aerial survey targets are used for ground control in photogrammtry. The algorithm for this study is based on Logistic regression. 8 main factors, which are elevations, terrain slopes, terrain aspects, terrain reliefs, terrain roughness, distances to roads, distances to rivers, land utilizations, are taken into consideration in our Logistic regression model. The related results from UAV are compared with those from traditional photogrammetry. Overall, the study is focusing on monitoring the distribution of the areas with high-risk landslide and driftwood potentials in Shenmu area by Fixed-wing UAV-Borne RGB and NIR images. We also further analyze the relationship between forests, landslides, disaster potentials and upper river areas.

Waterlike glass polyamorphism in a monoatomic isotropic Jagla model.

PubMed

Xu, Limei; Giovambattista, Nicolas; Buldyrev, Sergey V; Debenedetti, Pablo G; Stanley, H Eugene

2011-02-14

We perform discrete-event molecular dynamics simulations of a system of particles interacting with a spherically-symmetric (isotropic) two-scale Jagla pair potential characterized by a hard inner core, a linear repulsion at intermediate separations, and a weak attractive interaction at larger separations. This model system has been extensively studied due to its ability to reproduce many thermodynamic, dynamic, and structural anomalies of liquid water. The model is also interesting because: (i) it is very simple, being composed of isotropically interacting particles, (ii) it exhibits polyamorphism in the liquid phase, and (iii) its slow crystallization kinetics facilitate the study of glassy states. There is interest in the degree to which the known polyamorphism in glassy water may have parallels in liquid water. Motivated by parallels between the properties of the Jagla potential and those of water in the liquid state, we study the metastable phase diagram in the glass state. Specifically, we perform the computational analog of the protocols followed in the experimental studies of glassy water. We find that the Jagla potential calculations reproduce three key experimental features of glassy water: (i) the crystal-to-high-density amorphous solid (HDA) transformation upon isothermal compression, (ii) the low-density amorphous solid (LDA)-to-HDA transformation upon isothermal compression, and (iii) the HDA-to-very-high-density amorphous solid (VHDA) transformation upon isobaric annealing at high pressure. In addition, the HDA-to-LDA transformation upon isobaric heating, observed in water experiments, can only be reproduced in the Jagla model if a free surface is introduced in the simulation box. The HDA configurations obtained in cases (i) and (ii) are structurally indistinguishable, suggesting that both processes result in the same glass. With the present parametrization, the evolution of density with pressure or temperature is remarkably similar to the corresponding experimental measurements on water. Our simulations also suggest that the Jagla potential may reproduce features of the HDA-VHDA transformations observed in glassy water upon compression and decompression. Snapshots of the system during the HDA-VHDA and HDA-LDA transformations reveal a clear segregation between LDA and HDA but not between HDA and VHDA, consistent with the possibility that LDA and HDA are separated by a first order transformation as found experimentally, whereas HDA and VHDA are not. Our results demonstrate that a system of particles with simple isotropic pair interactions, a Jagla potential with two characteristic length scales, can present polyamorphism in the glass state as well as reproducing many of the distinguishing properties of liquid water. While most isotropic pair potential models crystallize readily on simulation time scales at the low temperatures investigated here, the Jagla potential is an exception, and is therefore a promising model system for the study of glass phenomenology.

Emergence of cytotoxic resistance in cancer cell populations: Single-cell mechanisms and population-level consequences

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

Lorenzi, Tommaso; Chisholm, Rebecca H.; Lorz, Alexander

We formulate an individual-based model and a population model of phenotypic evolution, under cytotoxic drugs, in a cancer cell population structured by the expression levels of survival-potential and proliferation-potential. We apply these models to a recently studied experimental system. Our results suggest that mechanisms based on fundamental laws of biology can reversibly push an actively-proliferating, and drug-sensitive, cell population to transition into a weakly-proliferative and drug-tolerant state, which will eventually facilitate the emergence of more potent, proliferating and drug-tolerant cells.

Effective Potentials for Folding Proteins

NASA Astrophysics Data System (ADS)

Chen, Nan-Yow; Su, Zheng-Yao; Mou, Chung-Yu

2006-02-01

A coarse-grained off-lattice model that is not biased in any way to the native state is proposed to fold proteins. To predict the native structure in a reasonable time, the model has included the essential effects of water in an effective potential. Two new ingredients, the dipole-dipole interaction and the local hydrophobic interaction, are introduced and are shown to be as crucial as the hydrogen bonding. The model allows successful folding of the wild-type sequence of protein G and may have provided important hints to the study of protein folding.

Stationary solutions for the nonlinear Schrödinger equation modeling three-dimensional spherical Bose-Einstein condensates in general potentials.

PubMed

Mallory, Kristina; Van Gorder, Robert A

2015-07-01

Stationary solutions for the cubic nonlinear Schrödinger equation modeling Bose-Einstein condensates (BECs) confined in three spatial dimensions by general forms of a potential are studied through a perturbation method and also numerically. Note that we study both repulsive and attractive BECs under similar frameworks in order to deduce the effects of the potentials in each case. After outlining the general framework, solutions for a collection of specific confining potentials of physical relevance to experiments on BECs are provided in order to demonstrate the approach. We make several observations regarding the influence of the particular potentials on the behavior of the BECs in these cases, comparing and contrasting the qualitative behavior of the attractive and repulsive BECs for potentials of various strengths and forms. Finally, we consider the nonperturbative where the potential or the amplitude of the solutions is large, obtaining various qualitative results. When the kinetic energy term is small (relative to the nonlinearity and the confining potential), we recover the expected Thomas-Fermi approximation for the stationary solutions. Naturally, this also occurs in the large mass limit. Through all of these results, we are able to understand the qualitative behavior of spherical three-dimensional BECs in weak, intermediate, or strong confining potentials.

Risk estimates for CO exposure in man based on behavioral and physiological responses in rodents

NASA Technical Reports Server (NTRS)

Gross, M. K.

1983-01-01

An examination of animal response to CO is studied along with potential models for extrapolating animal test data to humans. The best models for extrapolating data were found to be the Probit and Weibull models.

Using delay differential equations to induce alternans in a model of cardiac electrophysiology.

PubMed

Eastman, Justin; Sass, Julian; Gomes, Johnny M; Dos Santos, Rodrigo Weber; Cherry, Elizabeth M

2016-09-07

Cardiac electrical alternans is a period-2 dynamical behavior with alternating long and short action potential durations (APD) that often precedes dangerous arrhythmias associated with cardiac arrest. Despite the importance of alternans, many current ordinary differential equations models of cardiac electrophysiology do not produce alternans, thereby limiting the use of these models for studying the mechanisms that underlie this condition. Because delay differential equations (DDEs) commonly induce complex dynamics in other biological systems, we investigate whether incorporating DDEs can lead to alternans development in cardiac models by studying the Fox et al. canine ventricular action potential model. After suppressing the alternans in the original model, we show that alternans can be obtained by introducing DDEs in the model gating variables, and we quantitatively compare the DDE-induced alternans with the alternans present in the original model. We analyze the behavior of the voltage, currents, and gating variables of the model to study the effects of the delays and to determine how alternans develops in that setting, and we discuss the mathematical and physiological implications of our findings. In future work, we aim to apply our approach to induce alternans in models that do not naturally exhibit such dynamics. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Comparative Study of High and Low Fidelity Fan Models for Turbofan Engine System Simulation

NASA Technical Reports Server (NTRS)

Reed, John A.; Afjeh, Abdollah A.

1991-01-01

In this paper, a heterogeneous propulsion system simulation method is presented. The method is based on the formulation of a cycle model of a gas turbine engine. The model includes the nonlinear characteristics of the engine components via use of empirical data. The potential to simulate the entire engine operation on a computer without the aid of data is demonstrated by numerically generating "performance maps" for a fan component using two flow models of varying fidelity. The suitability of the fan models were evaluated by comparing the computed performance with experimental data. A discussion of the potential benefits and/or difficulties in connecting simulations solutions of differing fidelity is given.

Alpha decay studies on Po isotopes using different versions of nuclear potentials

NASA Astrophysics Data System (ADS)

Santhosh, K. P.; Sukumaran, Indu

2017-12-01

The alpha decays from 186-224Po isotopes have been studied using 25 different versions of nuclear potentials so as to select a suitable nuclear potential for alpha decay studies. The computed standard deviation of the calculated half-lives in comparison with the experimental data suggested that proximity 2003-I is the apt form of nuclear potential for alpha decay studies as it possesses the least standard deviation, σ =0.620 . Among the different proximity potentials, proximity 1966 ( σ =0.630 and proximity 1977 ( σ =0.636 , are also found to work well in alpha decay studies with low deviation. Among other versions of nuclear potentials (other than proximity potentials), Bass 1980 is suggested to be a significant form of nuclear potential because of its good predictive power. However, while the other forms of potentials are able to reproduce the experimental data to some extent, these potentials cannot be considered as apposite potentials for alpha decay studies in their present form. Since the experimental correlation of the models is noticed to be satisfying, the alpha decay half-lives of certain Po isotopes that are not detected experimentally yet have been predicted.

Electroviscous Effects in Ceramic Nanofiltration Membranes.

PubMed

Farsi, Ali; Boffa, Vittorio; Christensen, Morten Lykkegaard

2015-11-16

Membrane permeability and salt rejection of a γ-alumina nanofiltration membrane were studied and modeled for different salt solutions. Salt rejection was predicted by using the Donnan-steric pore model, in which the extended Nernst-Planck equation was applied to predict ion transport through the pores. The solvent flux was modeled by using the Hagen-Poiseuille equation by introducing electroviscosity instead of bulk viscosity. γ-Alumina particles were used for ζ-potential measurements. The ζ-potential measurements show that monovalent ions did not adsorb on the γ-alumina surface, whereas divalent ions were highly adsorbed. Thus, for divalent ions, the model was modified, owing to pore shrinkage caused by ion adsorption. The ζ-potential lowered the membrane permeability, especially for membranes with a pore radius lower than 3 nm, a ζ-potential higher than 20 mV, and an ionic strength lower than 0.01 m. The rejection model showed that, for a pore radius lower than 3 nm and for solutions with ionic strengths lower than 0.01 m, there is an optimum ζ-potential for rejection, because of the concurrent effects of electromigration and convection. Hence, the model can be used as a prediction tool to optimize membrane perm-selectivity by designing a specific pore size and surface charge for application at specific ionic strengths and pH levels. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions

NASA Astrophysics Data System (ADS)

Jiang, Xikai; Huang, Jingsong; Zhao, Hui; Sumpter, Bobby G.; Qiao, Rui

2014-07-01

We report detailed simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes. Under relatively small charging currents, the evolution of cell potential from molecular dynamics (MD) simulations during charging can be suitably predicted by the Landau-Ginzburg-type continuum model proposed recently (Bazant et al 2011 Phys. Rev. Lett. 106 046102). Under very large charging currents, the cell potential from MD simulations shows pronounced oscillation during the initial stage of charging, a feature not captured by the continuum model. Such oscillation originates from the sequential growth of the ionic space charge layers near the electrode surface. This allows the evolution of EDLs in RTILs with time, an atomistic process difficult to visualize experimentally, to be studied by analyzing the cell potential under constant-current charging conditions. While the continuum model cannot predict the potential oscillation under such far-from-equilibrium charging conditions, it can nevertheless qualitatively capture the growth of cell potential during the later stage of charging. Improving the continuum model by introducing frequency-dependent dielectric constant and density-dependent ion diffusion coefficients may help to further extend the applicability of the model. The evolution of ion density profiles is also compared between the MD and the continuum model, showing good agreement.

Dynamics of electrical double layer formation in room-temperature ionic liquids under constant-current charging conditions.

PubMed

Jiang, Xikai; Huang, Jingsong; Zhao, Hui; Sumpter, Bobby G; Qiao, Rui

2014-07-16

We report detailed simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes. Under relatively small charging currents, the evolution of cell potential from molecular dynamics (MD) simulations during charging can be suitably predicted by the Landau-Ginzburg-type continuum model proposed recently (Bazant et al 2011 Phys. Rev. Lett. 106 046102). Under very large charging currents, the cell potential from MD simulations shows pronounced oscillation during the initial stage of charging, a feature not captured by the continuum model. Such oscillation originates from the sequential growth of the ionic space charge layers near the electrode surface. This allows the evolution of EDLs in RTILs with time, an atomistic process difficult to visualize experimentally, to be studied by analyzing the cell potential under constant-current charging conditions. While the continuum model cannot predict the potential oscillation under such far-from-equilibrium charging conditions, it can nevertheless qualitatively capture the growth of cell potential during the later stage of charging. Improving the continuum model by introducing frequency-dependent dielectric constant and density-dependent ion diffusion coefficients may help to further extend the applicability of the model. The evolution of ion density profiles is also compared between the MD and the continuum model, showing good agreement.

Model-based estimators of density and connectivity to inform conservation of spatially structured populations

USGS Publications Warehouse

Morin, Dana J.; Fuller, Angela K.; Royle, J. Andrew; Sutherland, Chris

2017-01-01

Conservation and management of spatially structured populations is challenging because solutions must consider where individuals are located, but also differential individual space use as a result of landscape heterogeneity. A recent extension of spatial capture–recapture (SCR) models, the ecological distance model, uses spatial encounter histories of individuals (e.g., a record of where individuals are detected across space, often sequenced over multiple sampling occasions), to estimate the relationship between space use and characteristics of a landscape, allowing simultaneous estimation of both local densities of individuals across space and connectivity at the scale of individual movement. We developed two model-based estimators derived from the SCR ecological distance model to quantify connectivity over a continuous surface: (1) potential connectivity—a metric of the connectivity of areas based on resistance to individual movement; and (2) density-weighted connectivity (DWC)—potential connectivity weighted by estimated density. Estimates of potential connectivity and DWC can provide spatial representations of areas that are most important for the conservation of threatened species, or management of abundant populations (i.e., areas with high density and landscape connectivity), and thus generate predictions that have great potential to inform conservation and management actions. We used a simulation study with a stationary trap design across a range of landscape resistance scenarios to evaluate how well our model estimates resistance, potential connectivity, and DWC. Correlation between true and estimated potential connectivity was high, and there was positive correlation and high spatial accuracy between estimated DWC and true DWC. We applied our approach to data collected from a population of black bears in New York, and found that forested areas represented low levels of resistance for black bears. We demonstrate that formal inference about measures of landscape connectivity can be achieved from standard methods of studying animal populations which yield individual encounter history data such as camera trapping. Resulting biological parameters including resistance, potential connectivity, and DWC estimate the spatial distribution and connectivity of the population within a statistical framework, and we outline applications to many possible conservation and management problems.

Syntheses of the current model applications for managing water and needs for experimental data and model improvements to enhance these applications

USDA-ARS?s Scientific Manuscript database

This volume of the Advances in Agricultural Systems Modeling series presents 14 different case studies of model applications to help make the best use of limited water in agriculture. These examples show that models have tremendous potential and value in enhancing site-specific water management for ...

Urban airshed modeling of air quality impacts of alternative transportation fuel use in Los Angeles and Atlanta

DOT National Transportation Integrated Search

1997-12-01

This report documents a photochemical modeling study of the potential impacts on air quality of future emissions from alternative fuel vehicles (AFVs). The main objective of the National Renewable Energy Laboratory (NREL) in supporting this study is ...

MICROBIAL DEGRADATION OF NITROGEN, OXYGEN AND SULFUR HETEROCYCLIC COMPOUNDS UNDER ANAEROBIC CONDITIONS: STUDIES WITH AQUIFER SAMPLES

EPA Science Inventory

The potential for anaerobic biodegradation of 12 heterocyclic model compounds was studied. Nine of the model compounds were biotransformed in aquifer slurries under sulfate-reducing or methanogenic conditions. The nitrogen and oxygen heterocyclic compounds were more susceptible t...

Ensemble modelling and structured decision-making to support Emergency Disease Management.

PubMed

Webb, Colleen T; Ferrari, Matthew; Lindström, Tom; Carpenter, Tim; Dürr, Salome; Garner, Graeme; Jewell, Chris; Stevenson, Mark; Ward, Michael P; Werkman, Marleen; Backer, Jantien; Tildesley, Michael

2017-03-01

Epidemiological models in animal health are commonly used as decision-support tools to understand the impact of various control actions on infection spread in susceptible populations. Different models contain different assumptions and parameterizations, and policy decisions might be improved by considering outputs from multiple models. However, a transparent decision-support framework to integrate outputs from multiple models is nascent in epidemiology. Ensemble modelling and structured decision-making integrate the outputs of multiple models, compare policy actions and support policy decision-making. We briefly review the epidemiological application of ensemble modelling and structured decision-making and illustrate the potential of these methods using foot and mouth disease (FMD) models. In case study one, we apply structured decision-making to compare five possible control actions across three FMD models and show which control actions and outbreak costs are robustly supported and which are impacted by model uncertainty. In case study two, we develop a methodology for weighting the outputs of different models and show how different weighting schemes may impact the choice of control action. Using these case studies, we broadly illustrate the potential of ensemble modelling and structured decision-making in epidemiology to provide better information for decision-making and outline necessary development of these methods for their further application. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Prevention of hepatocellular carcinoma: potential targets, experimental models, and clinical challenges

PubMed Central

Hoshida, Yujin; Fuchs, Bryan C.; Tanabe, Kenneth K.

2013-01-01

Chronic fibrotic liver diseases such as viral hepatitis eventually develop liver cirrhosis, which causes occurrence of hepatocellular carcinoma (HCC). Given the limited therapeutic efficacy in advanced HCC, prevention of HCC development could be an effective strategy for improving patient prognosis. However, there is still no established therapy to meet the goal. Studies have elucidated a wide variety of molecular mechanisms and signaling pathways involved in HCC development. Genetically-engineered or chemically-treated experimental models of cirrhosis and HCC have been developed and shown their potential value in investigating molecular therapeutic targets and diagnostic biomarkers for HCC prevention. In this review, we overview potential targets of prevention and currently available experimental models, and discuss strategies to translate the findings into clinical practice. PMID:22873223

Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model.

PubMed

Wang, Ke; Yu, Yang-Xin; Gao, Guang-Hua

2008-05-14

A density functional theory (DFT) in the framework of cell model is proposed to calculate the structural and thermodynamic properties of aqueous DNA-electrolyte solution with finite DNA concentrations. The hard-sphere contribution to the excess Helmholtz energy functional is derived from the modified fundamental measure theory, and the electrostatic interaction is evaluated through a quadratic functional Taylor expansion around a uniform fluid. The electroneutrality in the cell leads to a variational equation with a constraint. Since the reference fluid is selected to be a bulk phase, the Lagrange multiplier proves to be the potential drop across the cell boundary (Donnan potential). The ion profiles and electrostatic potential profiles in the cell are calculated from the present DFT-cell model. Our DFT-cell model gives better prediction of ion profiles than the Poisson-Boltzmann (PB)- or modified PB-cell models when compared to the molecular simulation data. The effects of polyelectrolyte concentration, ion size, and added-salt concentration on the electrostatic potential difference between the DNA surface and the cell boundary are investigated. The expression of osmotic coefficient is derived from the general formula of grand potential. The osmotic coefficients predicted by the DFT are lower than the PB results and are closer to the simulation results and experimental data.

Estimating erosion in a riverine watershed: Bayou Liberty-Tchefuncta River in Louisiana.

PubMed

Martin, August; Gunter, James T; Regens, James L

2003-01-01

GOAL, SCOPE, BACKGROUND: Sheet erosion from agricultural, forest and urban lands may increase stream sediment loads as well as transport other pollutants that adversely affect water quality, reduce agricultural and forest production, and increase infrastructure maintenance costs. This study uses spatial analysis techniques and a numerical modeling approach to predict areas with the greatest sheet erosion potential given different soils disturbance scenarios. A Geographic Information System (GIS) and the Universal Soil Loss Equation (USLE) were used to estimate sheet erosion from 0.64 ha parcels of land within the watershed. The Soil Survey of St. Tammany Parish, Louisiana was digitized, required soil attributes entered into the GIS database, and slope factors determined for each 80 x 80 meter parcel in the watershed. The GIS/USLE model used series-specific erosion K factors, a rainfall factor of 89, and a GIS database of scenario-driven cropping and erosion control practice factors to estimate potential soil loss due to sheet erosion. A general trend of increased potential sheet erosion occurred for all land use categories (urban, agriculture/grasslands, forests) as soil disturbance increases from cropping, logging and construction activities. Modeling indicated that rapidly growing urban areas have the greatest potential for sheet erosion. Evergreen and mixed forests (production forest) had lower sheet erosion potentials; with deciduous forests (mostly riparian) having the least sheet erosion potential. Erosion estimates from construction activities may be overestimated because of the value chosen for the erosion control practice factor. This study illustrates the ease with which GIS can be integrated with the Universal Soil Loss Equation to identify areas with high sheet erosion potential for large scale management and policy decision making. The GIS/USLE modeling approach used in this study offers a quick and inexpensive tool for estimating sheet erosion within watersheds using publicly available information. This method can quickly identify discrete locations with relatively precise spatial boundaries (approximately 80 meter resolution) that have a high sheet erosion potential as well as areas where management interventions might be appropriate to prevent or ameliorate erosion.

Human bone marrow mesenchymal stem cells for retinal vascular injury.

PubMed

Wang, Jin-Da; An, Ying; Zhang, Jing-Shang; Wan, Xiu-Hua; Jonas, Jost B; Xu, Liang; Zhang, Wei

2017-09-01

To examine the potential of intravitreally implanted human bone marrow-derived mesenchymal stem cells (BMSCs) to affect vascular repair and the blood-retina barrier in mice and rats with oxygen-induced retinopathy, diabetic retinopathy or retinal ischaemia-reperfusion damage. Three study groups (oxygen-induced retinopathy group: 18 C57BL/6J mice; diabetic retinopathy group: 15 rats; retinal ischaemia-reperfusion model: 18 rats) received BMSCs injected intravitreally. Control groups (oxygen-induced retinopathy group: 12 C57BL/6J mice; diabetic retinopathy group: 15 rats; retinal ischaemia-reperfusion model: 18 rats) received an intravitreal injection of phosphate-buffered saline. We applied immunohistological techniques to measure retinal vascularization, spectroscopic measurements of intraretinally extravasated fluorescein-conjugated dextran to quantify the blood-retina barrier breakdown, and histomorphometry to assess retinal thickness and retinal ganglion cell count. In the oxygen-induced retinopathy model, the study group with intravitreally injected BMSCs as compared with the control group showed a significantly (p = 0.001) smaller area of retinal neovascularization. In the diabetic retinopathy model, study group and control group did not differ significantly in the amount of intraretinally extravasated dextran. In the retinal ischaemia-reperfusion model, on the 7th day after retina injury, the retina was significantly thicker in the study group than in the control group (p = 0.02), with no significant difference in the retinal ganglion cell count (p = 0.36). Intravitreally implanted human BMSCs were associated with a reduced retinal neovascularization in the oxygen-induced retinopathy model and with a potentially cell preserving effect in the retinal ischaemia-reperfusion model. Intravitreal BMSCs may be of potential interest for the therapy of retinal vascular disorders. © 2016 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Investigations of potential bias in the estimation of lambda using Pradel's (1996) model for capture-recapture data

USGS Publications Warehouse

Hines, James E.; Nichols, James D.

2002-01-01

Pradel's (1996) temporal symmetry model permitting direct estimation and modelling of population growth rate, u i , provides a potentially useful tool for the study of population dynamics using marked animals. Because of its recent publication date, the approach has not seen much use, and there have been virtually no investigations directed at robustness of the resulting estimators. Here we consider several potential sources of bias, all motivated by specific uses of this estimation approach. We consider sampling situations in which the study area expands with time and present an analytic expression for the bias in u i We next consider trap response in capture probabilities and heterogeneous capture probabilities and compute large-sample and simulation-based approximations of resulting bias in u i . These approximations indicate that trap response is an especially important assumption violation that can produce substantial bias. Finally, we consider losses on capture and emphasize the importance of selecting the estimator for u i that is appropriate to the question being addressed. For studies based on only sighting and resighting data, Pradel's (1996) u i ' is the appropriate estimator.

Upcrowding energy co-operatives - Evaluating the potential of crowdfunding for business model innovation of energy co-operatives.

PubMed

Dilger, Mathias Georg; Jovanović, Tanja; Voigt, Kai-Ingo

2017-08-01

Practice and theory have proven the relevance of energy co-operatives for civic participation in the energy turnaround. However, due to a still low awareness and changing regulation, there seems an unexploited potential of utilizing the legal form 'co-operative' in this context. The aim of this study is therefore to investigate the crowdfunding implementation in the business model of energy co-operatives in order to cope with the mentioned challenges. Based on a theoretical framework, we derive a Business Model Innovation (BMI) through crowdfunding including synergies and differences. A qualitative study design, particularly a multiple-case study of energy co-operatives, was chosen to prove the BMI and to reveal barriers. The results show that although most co-operatives are not familiar with crowdfunding, there is strong potential in opening up predominantly local structures to a broader group of members. Building on this, equity-based crowdfunding is revealed to be suitable for energy co-operatives as BMI and to accompany other challenges in the same way. Copyright © 2017 Elsevier Ltd. All rights reserved.

Analytical interatomic potential for modeling nonequilibrium processes in the W-C-H system

NASA Astrophysics Data System (ADS)

Juslin, N.; Erhart, P.; Träskelin, P.; Nord, J.; Henriksson, K. O. E.; Nordlund, K.; Salonen, E.; Albe, K.

2005-12-01

A reactive interatomic potential based on an analytical bond-order scheme is developed for the ternary system W-C-H. The model combines Brenner's hydrocarbon potential with parameter sets for W-W, W-C, and W-H interactions and is adjusted to materials properties of reference structures with different local atomic coordinations including tungsten carbide, W-H molecules, as well as H dissolved in bulk W. The potential has been tested in various scenarios, such as surface, defect, and melting properties, none of which were considered in the fitting. The intended area of application is simulations of hydrogen and hydrocarbon interactions with tungsten, which have a crucial role in fusion reactor plasma-wall interactions. Furthermore, this study shows that the angular-dependent bond-order scheme can be extended to second nearest-neighbor interactions, which are relevant in body-centered-cubic metals. Moreover, it provides a possibly general route for modeling metal carbides.

Position-Dependent Mass Schrödinger Equation for the Morse Potential

NASA Astrophysics Data System (ADS)

Ovando, G.; Peña, J. J.; Morales, J.; López-Bonilla, J.

2017-01-01

The position dependent mass Schrödinger equation (PDMSE) has a wide range of quantum applications such as the study of semiconductors, quantum wells, quantum dots and impurities in crystals, among many others. On the other hand, the Morse potential is one of the most important potential models used to study the electronic properties of diatomic molecules. In this work, the solution of the effective mass one-dimensional Schrödinger equation for the Morse potential is presented. This is done by means of the canonical transformation method in algebraic form. The PDMSE is solved for any model of the proposed kinetic energy operators as for example the BenDaniel-Duke, Gora-Williams, Zhu-Kroemer or Li-Kuhn. Also, in order to solve the PDMSE with Morse potential, we consider a superpotential leading to a special form of the exactly solvable Schrödinger equation of constant mass for a class of multiparameter exponential-type potential along with a proper mass distribution. The proposed approach is general and can be applied in the search of new potentials suitable on science of materials by looking into the viable choices of the mass function.

A comparison between index of entropy and catastrophe theory methods for mapping groundwater potential in an arid region.

PubMed

Al-Abadi, Alaa M; Shahid, Shamsuddin

2015-09-01

In this study, index of entropy and catastrophe theory methods were used for demarcating groundwater potential in an arid region using weighted linear combination techniques in geographical information system (GIS) environment. A case study from Badra area in the eastern part of central of Iraq was analyzed and discussed. Six factors believed to have influence on groundwater occurrence namely elevation, slope, aquifer transmissivity and storativity, soil, and distance to fault were prepared as raster thematic layers to facility integration into GIS environment. The factors were chosen based on the availability of data and local conditions of the study area. Both techniques were used for computing weights and assigning ranks vital for applying weighted linear combination approach. The results of application of both modes indicated that the most influential groundwater occurrence factors were slope and elevation. The other factors have relatively smaller values of weights implying that these factors have a minor role in groundwater occurrence conditions. The groundwater potential index (GPI) values for both models were classified using natural break classification scheme into five categories: very low, low, moderate, high, and very high. For validation of generated GPI, the relative operating characteristic (ROC) curves were used. According to the obtained area under the curve, the catastrophe model with 78 % prediction accuracy was found to perform better than entropy model with 77 % prediction accuracy. The overall results indicated that both models have good capability for predicting groundwater potential zones.

Effect of socio-economic status, family smoking and mental health through social network on the substance use potential in adolescents: a mediation analysis.

PubMed

Sajjadi, H; Jorjoran Shushtari, Z; Mahboubi, S; Rafiey, H; Salimi, Y

2018-04-01

Understanding pathways that influence substance use potential (SUP) can help with effective substance use prevention interventions among adolescents. The aim of the present study is to contribute to a better understanding of the SUP of adolescents by examining the mediating role of social network quality in the SUP of Iranian adolescents. A cross-sectional study. Structural equation modeling was conducted to assess the hypothesized model that social network quality would mediate the association of family socio-economic status, a mental health disorder, and family smoking with addiction potential. The model shows a good fit to the data. Social network quality mediated the effect of family smoking on the SUP for boys. A mental health disorder had a positive significant direct effect on addiction potential for both girls and boys. Social network quality mediates the effect of family smoking on boys' addiction potential in the context of Iran. Educational programs based on local societal ways and cultural norms are recommended to change tobacco smoking behavior among family members. In addition, to prevent subsequent substance use among adolescents, more effort is needed to improve their mental health. Copyright © 2018 The Royal Society for Public Health. Published by Elsevier Ltd. All rights reserved.

An efficient soil water balance model based on hybrid numerical and statistical methods

NASA Astrophysics Data System (ADS)

Mao, Wei; Yang, Jinzhong; Zhu, Yan; Ye, Ming; Liu, Zhao; Wu, Jingwei

2018-04-01

Most soil water balance models only consider downward soil water movement driven by gravitational potential, and thus cannot simulate upward soil water movement driven by evapotranspiration especially in agricultural areas. In addition, the models cannot be used for simulating soil water movement in heterogeneous soils, and usually require many empirical parameters. To resolve these problems, this study derives a new one-dimensional water balance model for simulating both downward and upward soil water movement in heterogeneous unsaturated zones. The new model is based on a hybrid of numerical and statistical methods, and only requires four physical parameters. The model uses three governing equations to consider three terms that impact soil water movement, including the advective term driven by gravitational potential, the source/sink term driven by external forces (e.g., evapotranspiration), and the diffusive term driven by matric potential. The three governing equations are solved separately by using the hybrid numerical and statistical methods (e.g., linear regression method) that consider soil heterogeneity. The four soil hydraulic parameters required by the new models are as follows: saturated hydraulic conductivity, saturated water content, field capacity, and residual water content. The strength and weakness of the new model are evaluated by using two published studies, three hypothetical examples and a real-world application. The evaluation is performed by comparing the simulation results of the new model with corresponding results presented in the published studies, obtained using HYDRUS-1D and observation data. The evaluation indicates that the new model is accurate and efficient for simulating upward soil water flow in heterogeneous soils with complex boundary conditions. The new model is used for evaluating different drainage functions, and the square drainage function and the power drainage function are recommended. Computational efficiency of the new model makes it particularly suitable for large-scale simulation of soil water movement, because the new model can be used with coarse discretization in space and time.

Development of a novel in silico model of zeta potential for metal oxide nanoparticles: a nano-QSPR approach

NASA Astrophysics Data System (ADS)

Wyrzykowska, Ewelina; Mikolajczyk, Alicja; Sikorska, Celina; Puzyn, Tomasz

2016-11-01

Once released into the aquatic environment, nanoparticles (NPs) are expected to interact (e.g. dissolve, agglomerate/aggregate, settle), with important consequences for NP fate and toxicity. A clear understanding of how internal and environmental factors influence the NP toxicity and fate in the environment is still in its infancy. In this study, a quantitative structure-property relationship (QSPR) approach was employed to systematically explore factors that affect surface charge (zeta potential) under environmentally realistic conditions. The nano-QSPR model developed with multiple linear regression (MLR) was characterized by high robustness ({{{Q}}{{2}}}{{CV}}=0.90) and external predictivity ({{{Q}}{{2}}}{{EXT}}=0.93). The results clearly showed that zeta potential values varied markedly as functions of the ionic radius of the metal atom in the metal oxides, confirming that agglomeration and the extent of release of free MexOy largely depend on their intrinsic properties. A developed nano-QSPR model was successfully applied to predict zeta potential in an ionized solution of NPs for which experimentally determined values of response have been unavailable. Hence, the application of our model is possible when the values of zeta potential in the ionized solution for metal oxide nanoparticles are undetermined, without the necessity of performing more time consuming and expensive experiments. We believe that our studies will be helpful in predicting the conditions under which MexOy is likely to become problematic for the environment and human health.

Projected climate and vegetation changes and potential biotic effects for Fort Benning, Georgia; Fort Hood, Texas; and Fort Irwin, California

USGS Publications Warehouse

Shafer, S.L.; Atkins, J.; Bancroft, B.A.; Bartlein, P.J.; Lawler, J.J.; Smith, B.; Wilsey, C.B.

2012-01-01

The responses of species and ecosystems to future climate changes will present challenges for conservation and natural resource managers attempting to maintain both species populations and essential habitat. This report describes projected future changes in climate and vegetation for three study areas surrounding the military installations of Fort Benning, Georgia, Fort Hood, Texas, and Fort Irwin, California. Projected climate changes are described for the time period 2070–2099 (30-year mean) as compared to 1961–1990 (30-year mean) for each study area using data simulated by the coupled atmosphere-ocean general circulation models CCSM3, CGCM3.1(T47), and UKMO-HadCM3, run under the B1, A1B, and A2 future greenhouse gas emissions scenarios. These climate data are used to simulate potential changes in important components of the vegetation for each study area using LPJ, a dynamic global vegetation model, and LPJ-GUESS, a dynamic vegetation model optimized for regional studies. The simulated vegetation results are compared with observed vegetation data for the study areas. Potential effects of the simulated future climate and vegetation changes for species and habitats of management concern are discussed in each study area, with a particular focus on federally listed threatened and endangered species.

Computational modeling for cardiac safety pharmacology analysis: Contribution of fibroblasts.

PubMed

Gao, Xin; Engel, Tyler; Carlson, Brian E; Wakatsuki, Tetsuro

2017-09-01

Drug-induced proarrhythmic potential is an important regulatory criterion in safety pharmacology. The application of in silico approaches to predict proarrhythmic potential of new compounds is under consideration as part of future guidelines. Current approaches simulate the electrophysiology of a single human adult ventricular cardiomyocyte. However, drug-induced proarrhythmic potential can be different when cardiomyocytes are surrounded by non-muscle cells. Incorporating fibroblasts in models of myocardium is important particularly for predicting a drugs cardiac liability in the aging population - a growing population who take more medications and exhibit increased cardiac fibrosis. In this study, we used computational models to investigate the effects of fibroblast coupling on the electrophysiology and response to drugs of cardiomyocytes. A computational model of cardiomyocyte electrophysiology and ion handling (O'Hara, Virag, Varro, & Rudy, 2011) is coupled to a passive model of fibroblast electrophysiology to test the effects of three compounds that block cardiomyocyte ion channels. Results are compared to model results without fibroblast coupling to see how fibroblasts affect cardiomyocyte action potential duration at 90% repolarization (APD 90 ) and propensity for early after depolarization (EAD). Simulation results show changes in cardiomyocyte APD 90 with increasing concentration of three drugs that affect cardiac function (dofetilide, vardenafil and nebivolol) when no fibroblasts are coupled to the cardiomyocyte. Coupling fibroblasts to cardiomyocytes markedly shortens APD 90 . Moreover, increasing the number of fibroblasts can augment the shortening effect. Coupling cardiomyocytes and fibroblasts are predicted to decrease proarrhythmic susceptibility under dofetilide, vardenafil and nebivolol block. However, this result is sensitive to parameters which define the electrophysiological function of the fibroblast. Fibroblast membrane capacitance and conductance (C FB and G FB ) have less of an effect on APD 90 than the fibroblast resting membrane potential (E FB ). This study suggests that in both theoretical models and experimental tissue constructs that represent cardiac tissue, both cardiomyocytes and non-muscle cells should be considered when testing cardiac pharmacological agents. Copyright © 2017 Elsevier Inc. All rights reserved.

Increasing the realism of projected tree species ranges by incorporating migration potential: an eastern US case study

NASA Astrophysics Data System (ADS)

Rogers, B. M.; Jantz, P.; Goetz, S. J.

2015-12-01

Models of vegetation distributions are used for a wide variety of purposes, from global assessments of biome shifts and biogeochemical feedbacks to local management planning. Dynamic vegetation models, mostly mechanistic in origin, are valuable for regional to global studies but remain limited for more local-scale applications, especially those that require species-specific responses to climate change. Species distribution models (SDMs) are broadly used for such applications, but these too have several outstanding limitations, one of the most prominent being a lack of dispersal and migration. Several hybrid models have recently been developed, but these generally require detailed parameterization of species-level attributes that may not be known. Here we present an approach to couple migration potential with SDM output for a large number of species in order to more realistically project future range shifts. We focus on 40 tree species in the eastern US of potential management concern, either because of their canopy dominance, ecosystem functions, or potential for utilizing future climates. Future climates were taken from a CMIP5 model ensemble average using RCP 4.5 and 8.5 scenarios. We used Random Forests to characterize current and future environmental suitability, and modeled migration as a negative exponential kernel that is affected by forest fragmentation and the density of current seed sources. We present results in a vulnerability framework relevant for a number of ongoing management activities in the region. We find an overarching pattern of northward and eastward range shifts, with high-elevation and northern species being the most adversely impacted. Because of limitations to migration, many newly suitable areas could not be utilized without active intervention. Only a few areas exhibited consistently favorable conditions that could be utilized by the relevant species, including the central Appalachian foothills and the Florida panhandle. We suggest that a continued effort to include migration potential into vegetation models can lead to more realistic results and management-relevant products.

The Impact of Lightning on Hurricane Rapid Intensification Forecasts Using the HWRF Model

NASA Astrophysics Data System (ADS)

Rosado, K.; Tallapragada, V.; Jenkins, G. S.

2016-12-01

In 2010, the National Oceanic and Atmospheric Administration (NOAA) created the Hurricane Forecast Improvement Project (HFIP) with the main goal of improving the tropical cyclone intensity and track forecasts by 50% in ten years. One of the focus areas is the improvement of the tropical cyclone rapid intensification (RI) forecasts. In order to contribute to this task, the role of lightning during the life cycle of a tropical cyclone using the NCEP operational HWRF hurricane model has been investigated. We ask two key research questions: (1) What is the functional relationship between atmospheric moisture content, lightning, and intensity in the HWRF model? and (2) How well does the HWRF model forecast the spatial distributions of lightning before, during, and after tropical cyclone intensification, especially for RI events? In order to address those questions, a lightning parameterization scheme called the Lightning Potential Index (LPI) was implemented into the HWRF model. The selected study cases to test the LPI implementation on the 2015 HWRF (operational version) are: Earl and Joaquin (North Atlantic), Haiyan (Western North Pacific), and Patricia (Eastern North Pacific). Five-day forecasts was executed on each case study with emphasis on rapid intensification periods. An extensive analysis between observed "best track" intensity, model intensity forecast, and potential for lightning forecast was performed. Preliminary results show that: (1) strong correlation between lightning and intensity changes does exists; and (2) the potential for lightning increases to its maximum peak a few hours prior to the peak intensity of the tropical cyclone. LPI peak values could potentially serve as indicator for future rapid intensification periods. Results from this investigation are giving us a better understanding of the mechanism behind lightning as a proxy for tropical cyclone steady state intensification and tropical cyclone rapid intensification processes. Improvement of lightning forecast has the potential to improve HWRF hurricane model intensity forecasts.

Tunnelling in asymmetric double-well potentials: varying initial states

NASA Astrophysics Data System (ADS)

Cordes, J. G.; Das, A. K.

2001-02-01

Tunnelling in a double-well potential has features which are not derivable through a mere extension of the concepts used in the context of a single potential barrier with no confining walls on either side. Furthermore, an asymmetric double-well potential, relevant in many contemporary areas of physics and chemistry, possesses certain distinctive aspects in contrast to the relatively simple case of a symmetric double-well potential. In this paper a self-contained numerical and analytical study of these features is reported, and a theoretical model is presented with special attention being given to a unified treatment of both the symmetric and asymmetric cases. The popularly used pair-state model is critically examined, and the important role of the initial state (which is rarely discussed in the literature) is highlighted with specific examples.

What Is the Predictive Value of Animal Models for Vaccine Efficacy in Humans? Reevaluating the Potential of Mouse Models for the Human Immune System.

PubMed

Jameson, Stephen C; Masopust, David

2018-04-02

Much of what we understand about immunology, including the response to vaccines, come from studies in mice because they provide many practical advantages compared with research in higher mammals and humans. Nevertheless, modalities for preventing or treating disease do not always translate from mouse to humans, which has led to increasing scrutiny of the continued merits of mouse research. Here, we summarize the pros and cons of current laboratory mouse models for immunology research and discuss whether overreliance on nonphysiological, ultra-hygienic animal husbandry approaches has limited the ultimate translation potential of mouse-derived data to humans. Alternative approaches are discussed that may extend the use of the mouse model for preclinical studies. Copyright © 2018 Cold Spring Harbor Laboratory Press; all rights reserved.

Bose-Einstein condensation, spontaneous symmetry breaking, and gauge theories

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

Kapusta, J.I.

1981-07-15

Bosonic chemical potentials for a variety of relativistic field theories are introduced via the methods of functional integrals with the aim of studying the relationship between Bose-Einstein condensation and spontaneous symmetry breaking. The models studied include the noninteracting and the self-interacting charged scalar field, scalar electrodynamics and the Higgs model, and the Weinberg-Salam model. In general the chemical potential acts as an effective symmetry-breaking parameter although the phase diagrams for the two cases (m/sup 2/<0 and m/sup 2/>0) look very different. It is found that the symmetry-restoring temperature in the Weinberg-Salam model increases with increasing electric charge density. Finally, themore » analysis of Jakobsen, Kon, and Segal of a conserved isotropic total angular momentum for the cosmic background radiation is shown to be erroneous.« less

Experimental models for aging and their potential for novel drug discovery.

PubMed

Folch, Jaume; Busquets, Oriol; Sánchez-López, Miren EttchetoElena; Pallàs, Mercè; Beas-Zarate, Carlos; Marin, Miguel; Casadesus, Gemma; Olloquequi, Jordi; Auladell, Carme; Camins, Antoni

2017-07-07

The development of antiaging drugs is an interesting area of scientific research. In order to evaluate the beneficial effects of new potential drugs, it is necessary to gather the specific knowledge on the adequate preclinical models that are available. This review focuses on invertebrate and vertebrate preclinical models used to evaluate the efficacy of antiaging compounds, with the objective to extend lifespan and health span. Dietary restriction (DR), a common experimental process to extend lifespan in all organisms, is also discussed. Besides, classical antiaging drugs such as resveratrol, rapamycin and metformin, denominated DR mimetics, are reviewed. The main therapeutic targets of these drugs include sirtuins, IGF-1, and mTOR, all of them being modulated by DR. The National Institute on Aging (NIA) developed the Interventions Testing Program (ITP). At the preclinical level, the ITP uses genetically heterogeneous mice model (HET), which is probably the most suitable rodent model to study potential drugs preventing aging-related diseases. The accelerated-senescence mouse P8 is also an interesting rodent model for the research in the field of aging. Notwithstanding, non-human primates are still necessary prior to clinical trials, since they allow an easier extrapolation to humans due to their anatomical and physiological similarities. In this review, the different models and approaches for antiaging studies were evaluated. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

A three-ions model of electrodiffusion kinetics in a nanochannel

NASA Astrophysics Data System (ADS)

Sebechlebská, Táňa; Neogrády, Pavel; Valent, Ivan

2016-10-01

Nanoscale electrodiffusion transport is involved in many electrochemical, technological and biological processes. Developments in computer power and numerical algorithms allow for solving full time-dependent Nernst-Planck and Poisson equations without simplifying approximations. We simulate spatio-temporal profiles of concentration and electric potential changes after a potential jump in a 10 nm channel with two cations (with opposite concentration gradients and different mobilities) and one anion (of uniform concentration). The temporal dynamics shows three exponential phases and damped oscillations of the electric potential. Despite the absence of surface charges in the studied model, an asymmetric current-voltage characteristic was observed.

Asymptotic Normalization Coefficients in a Potential Model Involving Forbidden States

NASA Astrophysics Data System (ADS)

Blokhintsev, L. D.; Savin, D. A.

2018-03-01

It is shown that values obtained for asymptotic normalization coefficients by means of a potential fitted to experimental data on elastic scattering depend substantially on the presence and the number n of possible forbidden states in the fitted potential. The present analysis was performed within exactly solvable potential models for various nuclear systems and various potentials without and with allowance for Coulomb interaction. Various methods for changing the number n that are based on the use of various versions of the change in the parameters of the potential model were studied. A compact analytic expression for the asymptotic normalization coefficients was derived for the case of the Hulthén potential. Specifically, the d + α and α + 12C systems, which are of importance for astrophysics, were examined. It was concluded that an incorrect choice of n could lead to a substantial errors in determining the asymptotic normalization coefficients. From the results of our calculations, it also follows that, for systems with a low binding energy and, as a consequence, with a large value of the Coulomb parameter, the inclusion of the Coulomb interaction may radically change the asymptotic normalization coefficients, increasing them sharply.

A coupled modelling effort to study the fate of contaminated sediments downstream of the Coles Hill deposit, Virginia, USA

NASA Astrophysics Data System (ADS)

Castro-Bolinaga, C. F.; Zavaleta, E. R.; Diplas, P.

2015-03-01

This paper presents the preliminary results of a coupled modelling effort to study the fate of tailings (radioactive waste-by product) downstream of the Coles Hill uranium deposit located in Virginia, USA. The implementation of the overall modelling process includes a one-dimensional hydraulic model to qualitatively characterize the sediment transport process under severe flooding conditions downstream of the potential mining site, a two-dimensional ANSYS Fluent model to simulate the release of tailings from a containment cell located partially above the local ground surface into the nearby streams, and a one-dimensional finite-volume sediment transport model to examine the propagation of a tailings sediment pulse in the river network located downstream. The findings of this investigation aim to assist in estimating the potential impacts that tailings would have if they were transported into rivers and reservoirs located downstream of the Coles Hill deposit that serve as municipal drinking water supplies.

Predictability of the Indian Ocean Dipole in the coupled models

NASA Astrophysics Data System (ADS)

Liu, Huafeng; Tang, Youmin; Chen, Dake; Lian, Tao

2017-03-01

In this study, the Indian Ocean Dipole (IOD) predictability, measured by the Indian Dipole Mode Index (DMI), is comprehensively examined at the seasonal time scale, including its actual prediction skill and potential predictability, using the ENSEMBLES multiple model ensembles and the recently developed information-based theoretical framework of predictability. It was found that all model predictions have useful skill, which is normally defined by the anomaly correlation coefficient larger than 0.5, only at around 2-3 month leads. This is mainly because there are more false alarms in predictions as leading time increases. The DMI predictability has significant seasonal variation, and the predictions whose target seasons are boreal summer (JJA) and autumn (SON) are more reliable than that for other seasons. All of models fail to predict the IOD onset before May and suffer from the winter (DJF) predictability barrier. The potential predictability study indicates that, with the model development and initialization improvement, the prediction of IOD onset is likely to be improved but the winter barrier cannot be overcome. The IOD predictability also has decadal variation, with a high skill during the 1960s and the early 1990s, and a low skill during the early 1970s and early 1980s, which is very consistent with the potential predictability. The main factors controlling the IOD predictability, including its seasonal and decadal variations, are also analyzed in this study.

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method.

PubMed

Ardham, Vikram Reddy; Deichmann, Gregor; van der Vegt, Nico F A; Leroy, Frédéric

2015-12-28

We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG models are obtained by means of the conditional reversible work (CRW) method. The interfacial thermodynamics of these models is characterized by the solid-liquid work of adhesion WSL calculated by means of the dry-surface methodology through molecular dynamics simulations. We find that the CRW potentials lead to values of WSL that are larger than the atomistic ones. Clear understanding of the relationship between the structure of n-hexane in the vicinity of the surface and WSL is elucidated through a detailed study of the energy and entropy components of WSL. We highlight the crucial role played by the solid-liquid energy fluctuations. Our approach suggests that CG potentials should be designed in such a way that they preserve the range of solid-liquid interaction energies, but also their fluctuations in order to preserve the reference atomistic value of WSL. Our study thus opens perspectives into deriving CG interaction potentials that preserve the thermodynamics of solid-liquid contacts and will find application in studies that intend to address materials driven by interfaces.

Regression models for predicting peak and continuous three-dimensional spinal loads during symmetric and asymmetric lifting tasks.

PubMed

Fathallah, F A; Marras, W S; Parnianpour, M

1999-09-01

Most biomechanical assessments of spinal loading during industrial work have focused on estimating peak spinal compressive forces under static and sagittally symmetric conditions. The main objective of this study was to explore the potential of feasibly predicting three-dimensional (3D) spinal loading in industry from various combinations of trunk kinematics, kinetics, and subject-load characteristics. The study used spinal loading, predicted by a validated electromyography-assisted model, from 11 male participants who performed a series of symmetric and asymmetric lifts. Three classes of models were developed: (a) models using workplace, subject, and trunk motion parameters as independent variables (kinematic models); (b) models using workplace, subject, and measured moments variables (kinetic models); and (c) models incorporating workplace, subject, trunk motion, and measured moments variables (combined models). The results showed that peak 3D spinal loading during symmetric and asymmetric lifting were predicted equally well using all three types of regression models. Continuous 3D loading was predicted best using the combined models. When the use of such models is infeasible, the kinematic models can provide adequate predictions. Finally, lateral shear forces (peak and continuous) were consistently underestimated using all three types of models. The study demonstrated the feasibility of predicting 3D loads on the spine under specific symmetric and asymmetric lifting tasks without the need for collecting EMG information. However, further validation and development of the models should be conducted to assess and extend their applicability to lifting conditions other than those presented in this study. Actual or potential applications of this research include exposure assessment in epidemiological studies, ergonomic intervention, and laboratory task assessment.

How do various maize crop models vary in their responses to climate change factors?

USDA-ARS?s Scientific Manuscript database

Potential consequences of climate change on crop production can be studied using mechanistic crop simulation models. While a broad variety of maize simulation models exist, it is not known whether different models give similar grain yield responses to changes in climatic factors, or whether they agr...

Self-Generated Analogical Models of Respiratory Pathways

ERIC Educational Resources Information Center

Lee, Yeung Chung

2015-01-01

Self-generated analogical models have emerged recently as alternatives to teacher-supplied analogies and seem to have good potential to promote deep learning and scientific thinking. However, studies of the ways and contexts in which students generate these models are still too limited to allow a fuller appraisal of these models' effectiveness in…

IRT Model Selection Methods for Dichotomous Items

ERIC Educational Resources Information Center

Kang, Taehoon; Cohen, Allan S.

2007-01-01

Fit of the model to the data is important if the benefits of item response theory (IRT) are to be obtained. In this study, the authors compared model selection results using the likelihood ratio test, two information-based criteria, and two Bayesian methods. An example illustrated the potential for inconsistency in model selection depending on…

Study of a risk-based piping inspection guideline system.

PubMed

Tien, Shiaw-Wen; Hwang, Wen-Tsung; Tsai, Chih-Hung

2007-02-01

A risk-based inspection system and a piping inspection guideline model were developed in this study. The research procedure consists of two parts--the building of a risk-based inspection model for piping and the construction of a risk-based piping inspection guideline model. Field visits at the plant were conducted to develop the risk-based inspection and strategic analysis system. A knowledge-based model had been built in accordance with international standards and local government regulations, and the rational unified process was applied for reducing the discrepancy in the development of the models. The models had been designed to analyze damage factors, damage models, and potential damage positions of piping in the petrochemical plants. The purpose of this study was to provide inspection-related personnel with the optimal planning tools for piping inspections, hence, to enable effective predictions of potential piping risks and to enhance the better degree of safety in plant operations that the petrochemical industries can be expected to achieve. A risk analysis was conducted on the piping system of a petrochemical plant. The outcome indicated that most of the risks resulted from a small number of pipelines.

Engineered cell and tissue models of pulmonary fibrosis.

PubMed

Sundarakrishnan, Aswin; Chen, Ying; Black, Lauren D; Aldridge, Bree B; Kaplan, David L

2018-04-01

Pulmonary fibrosis includes several lung disorders characterized by scar formation and Idiopathic Pulmonary Fibrosis (IPF) is a particularly severe form of pulmonary fibrosis of unknown etiology with a mean life expectancy of 3years' post-diagnosis. Treatments for IPF are limited to two FDA approved drugs, pirfenidone and nintedanib. Most lead candidate drugs that are identified in pre-clinical animal studies fail in human clinical trials. Thus, there is a need for advanced humanized in vitro models of the lung to improve candidate treatments prior to moving to human clinical trials. The development of 3D tissue models has created systems capable of emulating human lung structure, function, and cell and matrix interactions. The specific models accomplish these features and preliminary studies conducted using some of these systems have shown potential for in vitro anti-fibrotic drug testing. Further characterization and improvements will enable these tissue models to extend their utility for in vitro drug testing, to help identify signaling pathways and mechanisms for new drug targets, and potentially reduce animal models as standard pre-clinical models of study. In the current review, we contrast different in vitro models based on increasing dimensionality (2D, 2.5D and 3D), with added focus on contemporary 3D pulmonary models of fibrosis. Copyright © 2017. Published by Elsevier B.V.

A guide to using functional magnetic resonance imaging to study Alzheimer's disease in animal models.

PubMed

Asaad, Mazen; Lee, Jin Hyung

2018-05-18

Alzheimer's disease is a leading healthcare challenge facing our society today. Functional magnetic resonance imaging (fMRI) of the brain has played an important role in our efforts to understand how Alzheimer's disease alters brain function. Using fMRI in animal models of Alzheimer's disease has the potential to provide us with a more comprehensive understanding of the observations made in human clinical fMRI studies. However, using fMRI in animal models of Alzheimer's disease presents some unique challenges. Here, we highlight some of these challenges and discuss potential solutions for researchers interested in performing fMRI in animal models. First, we briefly summarize our current understanding of Alzheimer's disease from a mechanistic standpoint. We then overview the wide array of animal models available for studying this disease and how to choose the most appropriate model to study, depending on which aspects of the condition researchers seek to investigate. Finally, we discuss the contributions of fMRI to our understanding of Alzheimer's disease and the issues to consider when designing fMRI studies for animal models, such as differences in brain activity based on anesthetic choice and ways to interrogate more specific questions in rodents beyond those that can be addressed in humans. The goal of this article is to provide information on the utility of fMRI, and approaches to consider when using fMRI, for studies of Alzheimer's disease in animal models. © 2018. Published by The Company of Biologists Ltd.

A guide to using functional magnetic resonance imaging to study Alzheimer's disease in animal models

PubMed Central

Asaad, Mazen

2018-01-01

ABSTRACT Alzheimer's disease is a leading healthcare challenge facing our society today. Functional magnetic resonance imaging (fMRI) of the brain has played an important role in our efforts to understand how Alzheimer's disease alters brain function. Using fMRI in animal models of Alzheimer's disease has the potential to provide us with a more comprehensive understanding of the observations made in human clinical fMRI studies. However, using fMRI in animal models of Alzheimer's disease presents some unique challenges. Here, we highlight some of these challenges and discuss potential solutions for researchers interested in performing fMRI in animal models. First, we briefly summarize our current understanding of Alzheimer's disease from a mechanistic standpoint. We then overview the wide array of animal models available for studying this disease and how to choose the most appropriate model to study, depending on which aspects of the condition researchers seek to investigate. Finally, we discuss the contributions of fMRI to our understanding of Alzheimer's disease and the issues to consider when designing fMRI studies for animal models, such as differences in brain activity based on anesthetic choice and ways to interrogate more specific questions in rodents beyond those that can be addressed in humans. The goal of this article is to provide information on the utility of fMRI, and approaches to consider when using fMRI, for studies of Alzheimer's disease in animal models. PMID:29784664

Alteration of neural action potential patterns by axonal stimulation: the importance of stimulus location.

PubMed

Crago, Patrick E; Makowski, Nathaniel S

2014-10-01

Stimulation of peripheral nerves is often superimposed on ongoing motor and sensory activity in the same axons, without a quantitative model of the net action potential train at the axon endpoint. We develop a model of action potential patterns elicited by superimposing constant frequency axonal stimulation on the action potentials arriving from a physiologically activated neural source. The model includes interactions due to collision block, resetting of the neural impulse generator, and the refractory period of the axon at the point of stimulation. Both the mean endpoint firing rate and the probability distribution of the action potential firing periods depend strongly on the relative firing rates of the two sources and the intersite conduction time between them. When the stimulus rate exceeds the neural rate, neural action potentials do not reach the endpoint and the rate of endpoint action potentials is the same as the stimulus rate, regardless of the intersite conduction time. However, when the stimulus rate is less than the neural rate, and the intersite conduction time is short, the two rates partially sum. Increases in stimulus rate produce non-monotonic increases in endpoint rate and continuously increasing block of neurally generated action potentials. Rate summation is reduced and more neural action potentials are blocked as the intersite conduction time increases. At long intersite conduction times, the endpoint rate simplifies to being the maximum of either the neural or the stimulus rate. This study highlights the potential of increasing the endpoint action potential rate and preserving neural information transmission by low rate stimulation with short intersite conduction times. Intersite conduction times can be decreased with proximal stimulation sites for muscles and distal stimulation sites for sensory endings. The model provides a basis for optimizing experiments and designing neuroprosthetic interventions involving motor or sensory stimulation.

Tidal current energy potential of Nalón river estuary assessment using a high precision flow model

NASA Astrophysics Data System (ADS)

Badano, Nicolás; Valdés, Rodolfo Espina; Álvarez, Eduardo Álvarez

2018-05-01

Obtaining energy from tide currents in onshore locations is of great interest due to the proximity to the points of consumption. This opens the door to the feasibility of new installations based on hydrokinetic microturbines even in zones of moderate speed. In this context, the accuracy of energy predictions based on hydrodynamic models is of paramount importance. This research presents a high precision methodology based on a multidimensional hydrodynamic model that is used to study the energetic potential in estuaries. Moreover, it is able to estimate the flow variations caused by microturbine installations. The paper also shows the results obtained from the application of the methodology in a study of the Nalón river mouth (Asturias, Spain).

Studying Parental Involvement and University Access and Choice: An "Interacting Multiple Capitals" Model

ERIC Educational Resources Information Center

Gao, Fang; Ng, Jacky Chi Kit

2017-01-01

Capital-embedded parental involvement in education is essential in enhancing university enrolment and maximising the educational potentials for equality and excellence. Previous studies in this field have mainly utilised Perna's (2000, 2006) model, which defines parental involvement as social capital and identifies the additive influences of…

Compassionate School Model: Creating Trauma Sensitive Schools

ERIC Educational Resources Information Center

Wilson, Mary A.

2013-01-01

Children who are victims of adverse childhood experiences may display behaviors in school that hinder their ability to develop socially and academically. The purpose of this research study was to determine the potential effectiveness of the Compassionate School training model. This study was a program evaluation that examined staff training…

An Exploratory Study: Assessment of Modeled Dioxin Exposure in Ceramic Art Studios (Final Report, 2008)

EPA Science Inventory

EPA announced the availability of the final report, An Exploratory Study: Assessment of Modeled Dioxin Exposure in Ceramic Art Studios. This report investigates the potential dioxin exposure to artists/hobbyists who use ball clay to make pottery and related products. Derm...

Excellent Teachers' Thinking Model: Implications for Effective Teaching

ERIC Educational Resources Information Center

Hamzah, Sahandri G.; Mohamad, Hapidah; Ghorbani, Mohammad R.

2008-01-01

This study aimed to suggest an Excellent Teacher Thinking Model that has the potential to be utilized in the development of excellent teachers. Interaction survey method using survey questions, observation, document review and interview was conducted in this study. One hundred and five excellent teachers were selected randomly as research…

Performance and Cognitive Assessment in 3-D Modeling

ERIC Educational Resources Information Center

Fahrer, Nolan E.; Ernst, Jeremy V.; Branoff, Theodore J.; Clark, Aaron C.

2011-01-01

The purpose of this study was to investigate identifiable differences between performance and cognitive assessment scores in a 3-D modeling unit of an engineering drafting course curriculum. The study aimed to provide further investigation of the need of skill-based assessments in engineering/technical graphics courses to potentially increase…

Designing Corporate Databases to Support Technology Innovation

ERIC Educational Resources Information Center

Gultz, Michael Jarett

2012-01-01

Based on a review of the existing literature on database design, this study proposed a unified database model to support corporate technology innovation. This study assessed potential support for the model based on the opinions of 200 technology industry executives, including Chief Information Officers, Chief Knowledge Officers and Chief Learning…

Heavy quarkonia in a potential model: binding energy, decay width, and survival probability

NASA Astrophysics Data System (ADS)

Srivastava, P. K.; Chaturvedi, O. S. K.; Thakur, Lata

2018-06-01

Recently a lot of progress has been made in deriving the heavy quark potential within a QCD medium. In this article we have considered heavy quarkonium in a hot quark gluon plasma phase. The heavy-quark potential has been modeled properly for short as well as long distances. The potential at long distances is modeled as a QCD string which is screened at the same scale as the Coulomb field. We have numerically solved the 1+1-dimensional Schrodinger equation for this potential and obtained the eigen wavefunction and binding energy for the 1 S and 2 S states of charmonium and bottomonium. Further, we have calculated the decay width and dissociation temperature of quarkonium states in the QCD plasma. Finally, we have used our recently proposed unified model with these new values of decay widths to calculate the survival probability of the various quarkonium states with respect to centrality at relativistic heavy ion collider and large hadron collider energies. This study provides a unified, consistent and comprehensive description of spectroscopic properties of various quarkonium states at finite temperatures along with their nuclear modification factor at different collision energies.

Assessing Different Causes of Crown-of-Thorns Starfish Outbreaks and Appropriate Responses for Management on the Great Barrier Reef

PubMed Central

Babcock, Russell C.; Dambacher, Jeffrey M.; Morello, Elisabetta B.; Plagányi, Éva E.; Hayes, Keith R.; Sweatman, Hugh P. A.; Pratchett, Morgan S.

2016-01-01

The crown-of-thorns starfish Acanthaster planci (COTS) has contributed greatly to declines in coral cover on Australia’s Great Barrier Reef, and remains one of the major acute disturbances on Indo-Pacific coral reefs. Despite uncertainty about the underlying causes of outbreaks and the management responses that might address them, few studies have critically and directly compared competing hypotheses. This study uses qualitative modelling to compare hypotheses relating to outbreak initiation, explicitly considering the potential role of positive feedbacks, elevated nutrients, and removal of starfish predators by fishing. When nutrients and fishing are considered in isolation, the models indicate that a range of alternative hypotheses are capable of explaining outbreak initiation with similar levels of certainty. The models also suggest that outbreaks may be caused by multiple factors operating simultaneously, rather than by single proximal causes. As the complexity and realism of the models increased, the certainty of outcomes decreased, but key areas that require further research to improve the structure of the models were identified. Nutrient additions were likely to result in outbreaks only when COTS larvae alone benefitted from nutrients. Similarly, the effects of fishing on the decline of corals depended on the complexity of interactions among several categories of fishes. Our work suggests that management approaches which seek to be robust to model structure uncertainty should allow for multiple potential causes of outbreaks. Monitoring programs can provide tests of alternative potential causes of outbreaks if they specifically monitor all key taxa at reefs that are exposed to appropriate combinations of potential causal factors. PMID:28036360

α -induced reactions on 115In: Cross section measurements and statistical model analysis

NASA Astrophysics Data System (ADS)

Kiss, G. G.; Szücs, T.; Mohr, P.; Török, Zs.; Huszánk, R.; Gyürky, Gy.; Fülöp, Zs.

2018-05-01

Background: α -nucleus optical potentials are basic ingredients of statistical model calculations used in nucleosynthesis simulations. While the nucleon+nucleus optical potential is fairly well known, for the α +nucleus optical potential several different parameter sets exist and large deviations, reaching sometimes even an order of magnitude, are found between the cross section predictions calculated using different parameter sets. Purpose: A measurement of the radiative α -capture and the α -induced reaction cross sections on the nucleus 115In at low energies allows a stringent test of statistical model predictions. Since experimental data are scarce in this mass region, this measurement can be an important input to test the global applicability of α +nucleus optical model potentials and further ingredients of the statistical model. Methods: The reaction cross sections were measured by means of the activation method. The produced activities were determined by off-line detection of the γ rays and characteristic x rays emitted during the electron capture decay of the produced Sb isotopes. The 115In(α ,γ )119Sb and 115In(α ,n )Sb118m reaction cross sections were measured between Ec .m .=8.83 and 15.58 MeV, and the 115In(α ,n )Sb118g reaction was studied between Ec .m .=11.10 and 15.58 MeV. The theoretical analysis was performed within the statistical model. Results: The simultaneous measurement of the (α ,γ ) and (α ,n ) cross sections allowed us to determine a best-fit combination of all parameters for the statistical model. The α +nucleus optical potential is identified as the most important input for the statistical model. The best fit is obtained for the new Atomki-V1 potential, and good reproduction of the experimental data is also achieved for the first version of the Demetriou potentials and the simple McFadden-Satchler potential. The nucleon optical potential, the γ -ray strength function, and the level density parametrization are also constrained by the data although there is no unique best-fit combination. Conclusions: The best-fit calculations allow us to extrapolate the low-energy (α ,γ ) cross section of 115In to the astrophysical Gamow window with reasonable uncertainties. However, still further improvements of the α -nucleus potential are required for a global description of elastic (α ,α ) scattering and α -induced reactions in a wide range of masses and energies.

Puget Sound Dissolved Oxygen Modeling Study: Development of an Intermediate-Scale Hydrodynamic Model

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

Yang, Zhaoqing; Khangaonkar, Tarang; Labiosa, Rochelle G.

2010-11-30

The Washington State Department of Ecology contracted with Pacific Northwest National Laboratory to develop an intermediate-scale hydrodynamic and water quality model to study dissolved oxygen and nutrient dynamics in Puget Sound and to help define potential Puget Sound-wide nutrient management strategies and decisions. Specifically, the project is expected to help determine 1) if current and potential future nitrogen loadings from point and non-point sources are significantly impairing water quality at a large scale and 2) what level of nutrient reductions are necessary to reduce or dominate human impacts to dissolved oxygen levels in the sensitive areas. In this study, anmore » intermediate-scale hydrodynamic model of Puget Sound was developed to simulate the hydrodynamics of Puget Sound and the Northwest Straits for the year 2006. The model was constructed using the unstructured Finite Volume Coastal Ocean Model. The overall model grid resolution within Puget Sound in its present configuration is about 880 m. The model was driven by tides, river inflows, and meteorological forcing (wind and net heat flux) and simulated tidal circulations, temperature, and salinity distributions in Puget Sound. The model was validated against observed data of water surface elevation, velocity, temperature, and salinity at various stations within the study domain. Model validation indicated that the model simulates tidal elevations and currents in Puget Sound well and reproduces the general patterns of the temperature and salinity distributions.« less

Hydrocarbon Potential in Sandstone Reservoir Isolated inside Low Permeability Shale Rock (Case Study: Beruk Field, Central Sumatra Basin)

NASA Astrophysics Data System (ADS)

Diria, Shidqi A.; Musu, Junita T.; Hasan, Meutia F.; Permono, Widyo; Anwari, Jakson; Purba, Humbang; Rahmi, Shafa; Sadjati, Ory; Sopandi, Iyep; Ruzi, Fadli

2018-03-01

Upper Red Bed, Menggala Formation, Bangko Formation, Bekasap Formation and Duri Formationare considered as the major reservoirs in Central Sumatra Basin (CSB). However, Telisa Formation which is well-known as seal within CSB also has potential as reservoir rock. Field study discovered that lenses and layers which has low to high permeability sandstone enclosed inside low permeability shale of Telisa Formation. This matter is very distinctive and giving a new perspective and information related to the invention of hydrocarbon potential in reservoir sandstone that isolated inside low permeability shale. This study has been conducted by integrating seismic data, well logs, and petrophysical data throughly. Facies and static model are constructed to estimate hydrocarbon potential resource. Facies model shows that Telisa Formation was deposited in deltaic system while the potential reservoir was deposited in distributary mouth bar sandstone but would be discontinued bedding among shale mud-flat. Besides, well log data shows crossover between RHOB and NPHI, indicated that distributary mouth bar sandstone is potentially saturated by hydrocarbon. Target area has permeability ranging from 0.01-1000 mD, whereas porosity varies from 1-30% and water saturation varies from 30-70%. The hydrocarbon resource calculation approximates 36.723 MSTB.

Electrical resistivity of liquid lanthanides using charge hard sphere system

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Thakor, P. B.; Jani, A. R.

2013-06-01

In the present paper, we have studied electrical resistivity (ρ) of liquid lanthanides. To describe the structural information, the structure factor S(q) due to the charged hard sphere (CHS) reference systems is used along with our newly constructed model potential. To see the influence of exchange and correlation effect on the electrical resistivity (ρ) have used different local field correction functions like Hartree (H), Sarkar et al (S) and Taylor (T). Lastly we conclude that the proper choice of the model potential along with local field correction function plays a vital role to the study of the electrical resistivity (ρ).

A mechanistic diagnosis of the simulation of soil CO2 efflux of the ACME Land Model

NASA Astrophysics Data System (ADS)

Liang, J.; Ricciuto, D. M.; Wang, G.; Gu, L.; Hanson, P. J.; Mayes, M. A.

2017-12-01

Accurate simulation of the CO2 efflux from soils (i.e., soil respiration) to the atmosphere is critical to project global biogeochemical cycles and the magnitude of climate change in Earth system models (ESMs). Currently, the simulated soil respiration by ESMs still have a large uncertainty. In this study, a mechanistic diagnosis of soil respiration in the Accelerated Climate Model for Energy (ACME) Land Model (ALM) was conducted using long-term observations at the Missouri Ozark AmeriFlux (MOFLUX) forest site in the central U.S. The results showed that the ALM default run significantly underestimated annual soil respiration and gross primary production (GPP), while incorrectly estimating soil water potential. Improved simulations of soil water potential with site-specific data significantly improved the modeled annual soil respiration, primarily because annual GPP was simultaneously improved. Therefore, accurate simulations of soil water potential must be carefully calibrated in ESMs. Despite improved annual soil respiration, the ALM continued to underestimate soil respiration during peak growing seasons, and to overestimate soil respiration during non-peak growing seasons. Simulations involving increased GPP during peak growing seasons increased soil respiration, while neither improved plant phenology nor increased temperature sensitivity affected the simulation of soil respiration during non-peak growing seasons. One potential reason for the overestimation of the soil respiration during non-peak growing seasons may be that the current model structure is substrate-limited, while microbial dormancy under stress may cause the system to become decomposer-limited. Further studies with more microbial data are required to provide adequate representation of soil respiration and to understand the underlying reasons for inaccurate model simulations.

Assessment of the present and future offshore wind power potential: a case study in a target territory of the Baltic Sea near the Latvian coast.

PubMed

Lizuma, Lita; Avotniece, Zanita; Rupainis, Sergejs; Teilans, Artis

2013-01-01

Offshore wind energy development promises to be a significant domestic renewable energy source in Latvia. The reliable prediction of present and future wind resources at offshore sites is crucial for planning and selecting the location for wind farms. The overall goal of this paper is the assessment of offshore wind power potential in a target territory of the Baltic Sea near the Latvian coast as well as the identification of a trend in the future wind energy potential for the study territory. The regional climate model CLM and High Resolution Limited Area Model (Hirlam) simulations were used to obtain the wind climatology data for the study area. The results indicated that offshore wind energy is promising for expanding the national electricity generation and will continue to be a stable resource for electricity generation in the region over the 21st century.

Novel Design Strategy for Checkpoint Kinase 2 Inhibitors Using Pharmacophore Modeling, Combinatorial Fusion, and Virtual Screening

PubMed Central

Wang, Yen-Ling

2014-01-01

Checkpoint kinase 2 (Chk2) has a great effect on DNA-damage and plays an important role in response to DNA double-strand breaks and related lesions. In this study, we will concentrate on Chk2 and the purpose is to find the potential inhibitors by the pharmacophore hypotheses (PhModels), combinatorial fusion, and virtual screening techniques. Applying combinatorial fusion into PhModels and virtual screening techniques is a novel design strategy for drug design. We used combinatorial fusion to analyze the prediction results and then obtained the best correlation coefficient of the testing set (r test) with the value 0.816 by combining the BesttrainBesttest and FasttrainFasttest prediction results. The potential inhibitors were selected from NCI database by screening according to BesttrainBesttest + FasttrainFasttest prediction results and molecular docking with CDOCKER docking program. Finally, the selected compounds have high interaction energy between a ligand and a receptor. Through these approaches, 23 potential inhibitors for Chk2 are retrieved for further study. PMID:24864236

CP-violating top quark couplings at future linear e^+e^- colliders

NASA Astrophysics Data System (ADS)

Bernreuther, W.; Chen, L.; García, I.; Perelló, M.; Poeschl, R.; Richard, F.; Ros, E.; Vos, M.

2018-02-01

We study the potential of future lepton colliders to probe violation of the CP symmetry in the top quark sector. In certain extensions of the Standard Model, such as the two-Higgs-doublet model (2HDM), sizeable anomalous top quark dipole moments can arise, which may be revealed by a precise measurement of top quark pair production. We present results from detailed Monte Carlo studies for the ILC at 500 GeV and CLIC at 380 GeV and use parton-level simulations to explore the potential of high-energy operation. We find that precise measurements in e^+e^- → t\\bar{t} production with subsequent decay to lepton plus jets final states can provide sufficient sensitivity to detect Higgs-boson-induced CP violation in a viable two-Higgs-doublet model. The potential of a linear e^+e^- collider to detect CP-violating electric and weak dipole form factors of the top quark exceeds the prospects of the HL-LHC by over an order of magnitude.

Estimating spatial accessibility to facilities on the regional scale: an extended commuting-based interaction potential model

PubMed Central

2011-01-01

Background There is growing interest in the study of the relationships between individual health-related behaviours (e.g. food intake and physical activity) and measurements of spatial accessibility to the associated facilities (e.g. food outlets and sport facilities). The aim of this study is to propose measurements of spatial accessibility to facilities on the regional scale, using aggregated data. We first used a potential accessibility model that partly makes it possible to overcome the limitations of the most frequently used indices such as the count of opportunities within a given neighbourhood. We then propose an extended model in order to take into account both home and work-based accessibility for a commuting population. Results Potential accessibility estimation provides a very different picture of the accessibility levels experienced by the population than the more classical "number of opportunities per census tract" index. The extended model for commuters increases the overall accessibility levels but this increase differs according to the urbanisation level. Strongest increases are observed in some rural municipalities with initial low accessibility levels. Distance to major urban poles seems to play an essential role. Conclusions Accessibility is a multi-dimensional concept that should integrate some aspects of travel behaviour. Our work supports the evidence that the choice of appropriate accessibility indices including both residential and non-residential environmental features is necessary. Such models have potential implications for providing relevant information to policy-makers in the field of public health. PMID:21219597

A Probabilistic Tsunami Hazard Study of the Auckland Region, Part II: Inundation Modelling and Hazard Assessment

NASA Astrophysics Data System (ADS)

Lane, E. M.; Gillibrand, P. A.; Wang, X.; Power, W.

2013-09-01

Regional source tsunamis pose a potentially devastating hazard to communities and infrastructure on the New Zealand coast. But major events are very uncommon. This dichotomy of infrequent but potentially devastating hazards makes realistic assessment of the risk challenging. Here, we describe a method to determine a probabilistic assessment of the tsunami hazard by regional source tsunamis with an "Average Recurrence Interval" of 2,500-years. The method is applied to the east Auckland region of New Zealand. From an assessment of potential regional tsunamigenic events over 100,000 years, the inundation of the Auckland region from the worst 100 events is modelled using a hydrodynamic model and probabilistic inundation depths on a 2,500-year time scale were determined. Tidal effects on the potential inundation were included by coupling the predicted wave heights with the probability density function of tidal heights at the inundation site. Results show that the more exposed northern section of the east coast and outer islands in the Hauraki Gulf face the greatest hazard from regional tsunamis in the Auckland region. Incorporating tidal effects into predictions of inundation reduced the predicted hazard compared to modelling all the tsunamis arriving at high tide giving a more accurate hazard assessment on the specified time scale. This study presents the first probabilistic analysis of dynamic modelling of tsunami inundation for the New Zealand coast and as such provides the most comprehensive assessment of tsunami inundation of the Auckland region from regional source tsunamis available to date.

Membrane Capacitive Memory Alters Spiking in Neurons Described by the Fractional-Order Hodgkin-Huxley Model

PubMed Central

Weinberg, Seth H.

2015-01-01

Excitable cells and cell membranes are often modeled by the simple yet elegant parallel resistor-capacitor circuit. However, studies have shown that the passive properties of membranes may be more appropriately modeled with a non-ideal capacitor, in which the current-voltage relationship is given by a fractional-order derivative. Fractional-order membrane potential dynamics introduce capacitive memory effects, i.e., dynamics are influenced by a weighted sum of the membrane potential prior history. However, it is not clear to what extent fractional-order dynamics may alter the properties of active excitable cells. In this study, we investigate the spiking properties of the neuronal membrane patch, nerve axon, and neural networks described by the fractional-order Hodgkin-Huxley neuron model. We find that in the membrane patch model, as fractional-order decreases, i.e., a greater influence of membrane potential memory, peak sodium and potassium currents are altered, and spike frequency and amplitude are generally reduced. In the nerve axon, the velocity of spike propagation increases as fractional-order decreases, while in a neural network, electrical activity is more likely to cease for smaller fractional-order. Importantly, we demonstrate that the modulation of the peak ionic currents that occurs for reduced fractional-order alone fails to reproduce many of the key alterations in spiking properties, suggesting that membrane capacitive memory and fractional-order membrane potential dynamics are important and necessary to reproduce neuronal electrical activity. PMID:25970534

Exploration of optimal dosing regimens of haloperidol, a D2 Antagonist, via modeling and simulation analysis in a D2 receptor occupancy study.

PubMed

Lim, Hyeong-Seok; Kim, Su Jin; Noh, Yook-Hwan; Lee, Byung Chul; Jin, Seok-Joon; Park, Hyun Soo; Kim, Soohyeon; Jang, In-Jin; Kim, Sang Eun

2013-03-01

To evaluate the potential usage of D(2) receptor occupancy (D2RO) measured by positron emission tomography (PET) in antipsychotic development. In this randomized, parallel group study, eight healthy male volunteers received oral doses of 0.5 (n = 3), 1 (n = 2), or 3 mg (n = 3) of haloperidol once daily for 7 days. PET's were scanned before haloperidol, and on days 8, 12, with serial pharmacokinetic sampling on day 7. Pharmacokinetics and binding potential to D(2) receptor in putamen and caudate nucleus over time were analyzed using NONMEM, and simulations for the profiles of D2RO over time on various regimens of haloperidol were conducted to find the optimal dosing regimens. One compartment model with a saturable binding compartment, and inhibitory E(max) model in the effect compartment best described the data. Plasma haloperidol concentrations at half-maximal inhibition were 0.791 and 0.650 ng/ml, in putamen and caudate nucleus. Simulation suggested haloperidol 2 mg every 12 h is near the optimal dose. This study showed that sparse D2RO measurements in steady state pharmacodynamic design after multiple dosing could reveal the possibility of treatment effect of D(2) antagonist, and could identify the potential optimal doses for later clinical studies by modeling and simulation.

Application of a combined approach including contamination indexes, geographic information system and multivariate statistical models in levels, distribution and sources study of metals in soils in Northern China

PubMed Central

Huang, Kuixian; Luo, Xingzhang

2018-01-01

The purpose of this study is to recognize the contamination characteristics of trace metals in soils and apportion their potential sources in Northern China to provide a scientific basis for basic of soil environment management and pollution control. The data set of metals for 12 elements in surface soil samples was collected. The enrichment factor and geoaccumulation index were used to identify the general geochemical characteristics of trace metals in soils. The UNMIX and positive matrix factorizations (PMF) models were comparatively applied to apportion their potential sources. Furthermore, geostatistical tools were used to study the spatial distribution of pollution characteristics and to identify the affected regions of sources that were derived from apportionment models. The soils were contaminated by Cd, Hg, Pb and Zn to varying degree. Industrial activities, agricultural activities and natural sources were identified as the potential sources determining the contents of trace metals in soils with contributions of 24.8%–24.9%, 33.3%–37.2% and 38.0%–41.8%, respectively. The slightly different results obtained from UNMIX and PMF might be caused by the estimations of uncertainty and different algorithms within the models. PMID:29474412

Use of Network Inference to Elucidate Common and Chemical-specific Effects on Steoidogenesis

EPA Science Inventory

Microarray data is a key source for modeling gene regulatory interactions. Regulatory network models based on multiple datasets are potentially more robust and can provide greater confidence. In this study, we used network modeling on microarray data generated by exposing the fat...

Streamflow forecasts from WRF precipitation for flood early warning in mountain tropical areas

NASA Astrophysics Data System (ADS)

Rogelis, María Carolina; Werner, Micha

2018-02-01

Numerical weather prediction (NWP) models are fundamental to extend forecast lead times beyond the concentration time of a watershed. Particularly for flash flood forecasting in tropical mountainous watersheds, forecast precipitation is required to provide timely warnings. This paper aims to assess the potential of NWP for flood early warning purposes, and the possible improvement that bias correction can provide, in a tropical mountainous area. The paper focuses on the comparison of streamflows obtained from the post-processed precipitation forecasts, particularly the comparison of ensemble forecasts and their potential in providing skilful flood forecasts. The Weather Research and Forecasting (WRF) model is used to produce precipitation forecasts that are post-processed and used to drive a hydrologic model. Discharge forecasts obtained from the hydrological model are used to assess the skill of the WRF model. The results show that post-processed WRF precipitation adds value to the flood early warning system when compared to zero-precipitation forecasts, although the precipitation forecast used in this analysis showed little added value when compared to climatology. However, the reduction of biases obtained from the post-processed ensembles show the potential of this method and model to provide usable precipitation forecasts in tropical mountainous watersheds. The need for more detailed evaluation of the WRF model in the study area is highlighted, particularly the identification of the most suitable parameterisation, due to the inability of the model to adequately represent the convective precipitation found in the study area.

Fierz-complete NJL model study. II. Toward the fixed-point and phase structure of hot and dense two-flavor QCD

NASA Astrophysics Data System (ADS)

Braun, Jens; Leonhardt, Marc; Pospiech, Martin

2018-04-01

Nambu-Jona-Lasinio-type models are often employed as low-energy models for the theory of the strong interaction to analyze its phase structure at finite temperature and quark chemical potential. In particular, at low temperature and large chemical potential, where the application of fully first-principles approaches is currently difficult at best, this class of models still plays a prominent role in guiding our understanding of the dynamics of dense strong-interaction matter. In this work, we consider a Fierz-complete version of the Nambu-Jona-Lasinio model with two massless quark flavors and study its renormalization group flow and fixed-point structure at leading order of the derivative expansion of the effective action. Sum rules for the various four-quark couplings then allow us to monitor the strength of the breaking of the axial UA(1 ) symmetry close to and above the phase boundary. We find that the dynamics in the ten-dimensional Fierz-complete space of four-quark couplings can only be reduced to a one-dimensional space associated with the scalar-pseudoscalar coupling in the strict large-Nc limit. Still, the interacting fixed point associated with this one-dimensional subspace appears to govern the dynamics at small quark chemical potential even beyond the large-Nc limit. At large chemical potential, corrections beyond the large-Nc limit become important, and the dynamics is dominated by diquarks, favoring the formation of a chirally symmetric diquark condensate. In this regime, our study suggests that the phase boundary is shifted to higher temperatures when a Fierz-complete set of four-quark interactions is considered.

Meta-modeling soil organic carbon sequestration potential and its application at regional scale.

PubMed

Luo, Zhongkui; Wang, Enli; Bryan, Brett A; King, Darran; Zhao, Gang; Pan, Xubin; Bende-Michl, Ulrike

2013-03-01

Upscaling the results from process-based soil-plant models to assess regional soil organic carbon (SOC) change and sequestration potential is a great challenge due to the lack of detailed spatial information, particularly soil properties. Meta-modeling can be used to simplify and summarize process-based models and significantly reduce the demand for input data and thus could be easily applied on regional scales. We used the pre-validated Agricultural Production Systems sIMulator (APSIM) to simulate the impact of climate, soil, and management on SOC at 613 reference sites across Australia's cereal-growing regions under a continuous wheat system. We then developed a simple meta-model to link the APSIM-modeled SOC change to primary drivers, i.e., the amount of recalcitrant SOC, plant available water capacity of soil, soil pH, and solar radiation, temperature, and rainfall in the growing season. Based on high-resolution soil texture data and 8165 climate data points across the study area, we used the meta-model to assess SOC sequestration potential and the uncertainty associated with the variability of soil characteristics. The meta-model explained 74% of the variation of final SOC content as simulated by APSIM. Applying the meta-model to Australia's cereal-growing regions reveals regional patterns in SOC, with higher SOC stock in cool, wet regions. Overall, the potential SOC stock ranged from 21.14 to 152.71 Mg/ha with a mean of 52.18 Mg/ha. Variation of soil properties induced uncertainty ranging from 12% to 117% with higher uncertainty in warm, wet regions. In general, soils in Australia's cereal-growing regions under continuous wheat production were simulated as a sink of atmospheric carbon dioxide with a mean sequestration potential of 8.17 Mg/ha.

Spatiotemporal multivariate mixture models for Bayesian model selection in disease mapping.

PubMed

Lawson, A B; Carroll, R; Faes, C; Kirby, R S; Aregay, M; Watjou, K

2017-12-01

It is often the case that researchers wish to simultaneously explore the behavior of and estimate overall risk for multiple, related diseases with varying rarity while accounting for potential spatial and/or temporal correlation. In this paper, we propose a flexible class of multivariate spatio-temporal mixture models to fill this role. Further, these models offer flexibility with the potential for model selection as well as the ability to accommodate lifestyle, socio-economic, and physical environmental variables with spatial, temporal, or both structures. Here, we explore the capability of this approach via a large scale simulation study and examine a motivating data example involving three cancers in South Carolina. The results which are focused on four model variants suggest that all models possess the ability to recover simulation ground truth and display improved model fit over two baseline Knorr-Held spatio-temporal interaction model variants in a real data application.

Climate, soil water storage, and the average annual water balance

USGS Publications Warehouse

Milly, P.C.D.

1994-01-01

This paper describes the development and testing of the hypothesis that the long-term water balance is determined only by the local interaction of fluctuating water supply (precipitation) and demand (potential evapotranspiration), mediated by water storage in the soil. Adoption of this hypothesis, together with idealized representations of relevant input variabilities in time and space, yields a simple model of the water balance of a finite area having a uniform climate. The partitioning of average annual precipitation into evapotranspiration and runoff depends on seven dimensionless numbers: the ratio of average annual potential evapotranspiration to average annual precipitation (index of dryness); the ratio of the spatial average plant-available water-holding capacity of the soil to the annual average precipitation amount; the mean number of precipitation events per year; the shape parameter of the gamma distribution describing spatial variability of storage capacity; and simple measures of the seasonality of mean precipitation intensity, storm arrival rate, and potential evapotranspiration. The hypothesis is tested in an application of the model to the United States east of the Rocky Mountains, with no calibration. Study area averages of runoff and evapotranspiration, based on observations, are 263 mm and 728 mm, respectively; the model yields corresponding estimates of 250 mm and 741 mm, respectively, and explains 88% of the geographical variance of observed runoff within the study region. The differences between modeled and observed runoff can be explained by uncertainties in the model inputs and in the observed runoff. In the humid (index of dryness <1) parts of the study area, the dominant factor producing runoff is the excess of annual precipitation over annual potential evapotranspiration, but runoff caused by variability of supply and demand over time is also significant; in the arid (index of dryness >1) parts, all of the runoff is caused by variability of forcing over time. Contributions to model runoff attributable to small-scale spatial variability of storage capacity are insignificant throughout the study area. The consistency of the model with observational data is supportive of the supply-demand-storage hypothesis, which neglects infiltration excess runoff and other finite-permeability effects on the soil water balance.

The passive control of air pollution exposure in Dublin, Ireland: a combined measurement and modelling case study.

PubMed

Gallagher, J; Gill, L W; McNabola, A

2013-08-01

This study investigates the potential real world application of passive control systems to reduce personal pollutant exposure in an urban street canyon in Dublin, Ireland. The implementation of parked cars and/or low boundary walls as a passive control system has been shown to minimise personal exposure to pollutants on footpaths in previous investigations. However, previous research has been limited to generic numerical modelling studies. This study combines real-time traffic data, meteorological conditions and pollution concentrations, in a real world urban street canyon before and after the implementation of a passive control system. Using a combination of field measurements and numerical modelling this study assessed the potential impact of passive controls on personal exposure to nitric oxide (NO) concentrations in the street canyon in winter conditions. A calibrated numerical model of the urban street canyon was developed, taking into account the variability in traffic and meteorological conditions. The modelling system combined the computational fluid dynamic (CFD) simulations and a semi-empirical equation, and demonstrated a good agreement with measured field data collected in the street canyon. The results indicated that lane distribution, fleet composition and vehicular turbulence all affected pollutant dispersion, in addition to the canyon geometry and local meteorological conditions. The introduction of passive controls displayed mixed results for improvements in air quality on the footpaths for different wind and traffic conditions. Parked cars demonstrated the most comprehensive passive control system with average improvements in air quality of up to 15% on the footpaths. This study highlights the potential of passive controls in a real street canyon to increase dispersion and improve air quality at street level. Copyright © 2013 Elsevier B.V. All rights reserved.

Spatiotemporal mapping of scalp potentials.

PubMed

Fender, D H; Santoro, T P

1977-11-01

Computerized analysis and display techniques are applied to the problem of identifying the origins of visually evoked scalped potentials (VESP's). A new stimulus for VESP work, white noise, is being incorporated in the solution of this problem. VESP's for white-noise stimulation exhibit time domain behavior similar to the classical response for flash stimuli but with certain significant differences. Contour mapping algorithms are used to display the time behavior of equipotential surfaces on the scalp during the VESP. The electrical and geometrical parameters of the head are modeled. Electrical fields closely matching those obtained experimentally are generated on the surface of the model head by optimally selecting the location and strength parameters of one or two dipole current sources contained within the model. Computer graphics are used to display as a movie the actual and model scalp potential field and the parameters of the dipole generators whithin the model head during the time course of the VESP. These techniques are currently used to study retinotopic mapping, fusion, and texture perception in the human.

What are the effects of Agro-Ecological Zones and land use region boundaries on land resource projection using the Global Change Assessment Model?

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

Di Vittorio, Alan V.; Kyle, Page; Collins, William D.

Understanding the potential impacts of climate change is complicated by mismatched spatial representations between gridded Earth System Models (ESMs) and Integrated Assessment Models (IAMs), whose regions are typically larger and defined by geopolitical and biophysical criteria. In this study we address uncertainty stemming from the construction of land use regions in an IAM, the Global Change Assessment Model (GCAM), whose regions are currently based on historical climatic conditions (1961-1990). We re-define GCAM’s regions according to projected climatic conditions (2070-2099), and investigate how this changes model outcomes for land use, agriculture, and forestry. By 2100, we find potentially large differences inmore » projected global and regional area of biomass energy crops, fodder crops, harvested forest, and intensive pasture. These land area differences correspond with changes in agricultural commodity prices and production. These results have broader implications for understanding policy scenarios and potential impacts, and for evaluating and comparing IAM and ESM simulations.« less

An animated depiction of major depression epidemiology.

PubMed

Patten, Scott B

2007-06-08

Epidemiologic estimates are now available for a variety of parameters related to major depression epidemiology (incidence, prevalence, etc.). These estimates are potentially useful for policy and planning purposes, but it is first necessary that they be synthesized into a coherent picture of the epidemiology of the condition. Several attempts to do so have been made using mathematical modeling procedures. However, this information is not easy to communicate to users of epidemiological data (clinicians, administrators, policy makers). In this study, up-to-date data on major depression epidemiology were integrated using a discrete event simulation model. The mathematical model was animated in Virtual Reality Modeling Language (VRML) to create a visual, rather than mathematical, depiction of the epidemiology. Consistent with existing literature, the model highlights potential advantages of population health strategies that emphasize access to effective long-term treatment. The paper contains a web-link to the animation. Visual animation of epidemiological results may be an effective knowledge translation tool. In clinical practice, such animations could potentially assist with patient education and enhanced long-term compliance.

Identification of informative features for predicting proinflammatory potentials of engine exhausts.

PubMed

Wang, Chia-Chi; Lin, Ying-Chi; Lin, Yuan-Chung; Jhang, Syu-Ruei; Tung, Chun-Wei

2017-08-18

The immunotoxicity of engine exhausts is of high concern to human health due to the increasing prevalence of immune-related diseases. However, the evaluation of immunotoxicity of engine exhausts is currently based on expensive and time-consuming experiments. It is desirable to develop efficient methods for immunotoxicity assessment. To accelerate the development of safe alternative fuels, this study proposed a computational method for identifying informative features for predicting proinflammatory potentials of engine exhausts. A principal component regression (PCR) algorithm was applied to develop prediction models. The informative features were identified by a sequential backward feature elimination (SBFE) algorithm. A total of 19 informative chemical and biological features were successfully identified by SBFE algorithm. The informative features were utilized to develop a computational method named FS-CBM for predicting proinflammatory potentials of engine exhausts. FS-CBM model achieved a high performance with correlation coefficient values of 0.997 and 0.943 obtained from training and independent test sets, respectively. The FS-CBM model was developed for predicting proinflammatory potentials of engine exhausts with a large improvement on prediction performance compared with our previous CBM model. The proposed method could be further applied to construct models for bioactivities of mixtures.

The IR obstruction to UV completion for Dante’s Inferno model with higher-dimensional gauge theory origin

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

Furuuchi, Kazuyuki; Koyama, Yoji

We continue our investigation of large field inflation models obtained from higher-dimensional gauge theories, initiated in our previous study http://dx.doi.org/10.1088/1475-7516/2015/02/031. We focus on Dante’s Inferno model which was the most preferred model in our previous analysis. We point out the relevance of the IR obstruction to UV completion, which constrains the form of the potential of the massive vector field, under the current observational upper bound on the tensor to scalar ratio. We also show that in simple examples of the potential arising from DBI action of a D5-brane and that of an NS5-brane that the inflation takes place inmore » the field range which is within the convergence radius of the Taylor expansion. This is in contrast to the well known examples of axion monodromy inflation where inflaton takes place outside the convergence radius of the Taylor expansion. This difference arises from the very essence of Dante’s Inferno model that the effective inflaton potential is stretched in the inflaton field direction compared with the potential for the original field.« less

Predicting the potential distribution of the amphibian pathogen Batrachochytrium dendrobatidis in East and Southeast Asia.

PubMed

Moriguchi, Sachiko; Tominaga, Atsushi; Irwin, Kelly J; Freake, Michael J; Suzuki, Kazutaka; Goka, Koichi

2015-04-08

Batrachochytrium dendrobatidis (Bd) is the pathogen responsible for chytridiomycosis, a disease that is associated with a worldwide amphibian population decline. In this study, we predicted the potential distribution of Bd in East and Southeast Asia based on limited occurrence data. Our goal was to design an effective survey area where efforts to detect the pathogen can be focused. We generated ecological niche models using the maximum-entropy approach, with alleviation of multicollinearity and spatial autocorrelation. We applied eigenvector-based spatial filters as independent variables, in addition to environmental variables, to resolve spatial autocorrelation, and compared the model's accuracy and the degree of spatial autocorrelation with those of a model estimated using only environmental variables. We were able to identify areas of high suitability for Bd with accuracy. Among the environmental variables, factors related to temperature and precipitation were more effective in predicting the potential distribution of Bd than factors related to land use and cover type. Our study successfully predicted the potential distribution of Bd in East and Southeast Asia. This information should now be used to prioritize survey areas and generate a surveillance program to detect the pathogen.

A critical analysis of the numerical and analytical methods used in the construction of the lunar gravity potential model.

NASA Astrophysics Data System (ADS)

Tuckness, D. G.; Jost, B.

1995-08-01

Current knowledge of the lunar gravity field is presented. The various methods used in determining these gravity fields are investigated and analyzed. It will be shown that weaknesses exist in the current models of the lunar gravity field. The dominant part of this weakness is caused by the lack of lunar tracking data information (farside, polar areas), which makes modeling the total lunar potential difficult. Comparisons of the various lunar models reveal an agreement in the low-order coefficients of the Legendre polynomials expansions. However, substantial differences in the models can exist in the higher-order harmonics. The main purpose of this study is to assess today's lunar gravity field models for use in tomorrow's lunar mission designs and operations.

Mapping Global Potential Risk of Mango Sudden Decline Disease Caused by Ceratocystis fimbriata.

PubMed

Galdino, Tarcísio Visintin da Silva; Kumar, Sunil; Oliveira, Leonardo S S; Alfenas, Acelino C; Neven, Lisa G; Al-Sadi, Abdullah M; Picanço, Marcelo C

2016-01-01

The Mango Sudden Decline (MSD), also referred to as Mango Wilt, is an important disease of mango in Brazil, Oman and Pakistan. This fungus is mainly disseminated by the mango bark beetle, Hypocryphalus mangiferae (Stebbing), by infected plant material, and the infested soils where it is able to survive for long periods. The best way to avoid losses due to MSD is to prevent its establishment in mango production areas. Our objectives in this study were to: (1) predict the global potential distribution of MSD, (2) identify the mango growing areas that are under potential risk of MSD establishment, and (3) identify climatic factors associated with MSD distribution. Occurrence records were collected from Brazil, Oman and Pakistan where the disease is currently known to occur in mango. We used the correlative maximum entropy based model (MaxEnt) algorithm to assess the global potential distribution of MSD. The MaxEnt model predicted suitable areas in countries where the disease does not already occur in mango, but where mango is grown. Among these areas are the largest mango producers in the world including India, China, Thailand, Indonesia, and Mexico. The mean annual temperature, precipitation of coldest quarter, precipitation seasonality, and precipitation of driest month variables contributed most to the potential distribution of MSD disease. The mango bark beetle vector is known to occur beyond the locations where MSD currently exists and where the model predicted suitable areas, thus showing a high likelihood for disease establishment in areas predicted by our model. Our study is the first to map the potential risk of MSD establishment on a global scale. This information can be used in designing strategies to prevent introduction and establishment of MSD disease, and in preparation of efficient pest risk assessments and monitoring programs.

Mapping Global Potential Risk of Mango Sudden Decline Disease Caused by Ceratocystis fimbriata

PubMed Central

Oliveira, Leonardo S. S.; Alfenas, Acelino C.; Neven, Lisa G.; Al-Sadi, Abdullah M.

2016-01-01

The Mango Sudden Decline (MSD), also referred to as Mango Wilt, is an important disease of mango in Brazil, Oman and Pakistan. This fungus is mainly disseminated by the mango bark beetle, Hypocryphalus mangiferae (Stebbing), by infected plant material, and the infested soils where it is able to survive for long periods. The best way to avoid losses due to MSD is to prevent its establishment in mango production areas. Our objectives in this study were to: (1) predict the global potential distribution of MSD, (2) identify the mango growing areas that are under potential risk of MSD establishment, and (3) identify climatic factors associated with MSD distribution. Occurrence records were collected from Brazil, Oman and Pakistan where the disease is currently known to occur in mango. We used the correlative maximum entropy based model (MaxEnt) algorithm to assess the global potential distribution of MSD. The MaxEnt model predicted suitable areas in countries where the disease does not already occur in mango, but where mango is grown. Among these areas are the largest mango producers in the world including India, China, Thailand, Indonesia, and Mexico. The mean annual temperature, precipitation of coldest quarter, precipitation seasonality, and precipitation of driest month variables contributed most to the potential distribution of MSD disease. The mango bark beetle vector is known to occur beyond the locations where MSD currently exists and where the model predicted suitable areas, thus showing a high likelihood for disease establishment in areas predicted by our model. Our study is the first to map the potential risk of MSD establishment on a global scale. This information can be used in designing strategies to prevent introduction and establishment of MSD disease, and in preparation of efficient pest risk assessments and monitoring programs. PMID:27415625

Integrating multiple distribution models to guide conservation efforts of an endangered toad

USGS Publications Warehouse

Treglia, Michael L.; Fisher, Robert N.; Fitzgerald, Lee A.

2015-01-01

Species distribution models are used for numerous purposes such as predicting changes in species’ ranges and identifying biodiversity hotspots. Although implications of distribution models for conservation are often implicit, few studies use these tools explicitly to inform conservation efforts. Herein, we illustrate how multiple distribution models developed using distinct sets of environmental variables can be integrated to aid in identification sites for use in conservation. We focus on the endangered arroyo toad (Anaxyrus californicus), which relies on open, sandy streams and surrounding floodplains in southern California, USA, and northern Baja California, Mexico. Declines of the species are largely attributed to habitat degradation associated with vegetation encroachment, invasive predators, and altered hydrologic regimes. We had three main goals: 1) develop a model of potential habitat for arroyo toads, based on long-term environmental variables and all available locality data; 2) develop a model of the species’ current habitat by incorporating recent remotely-sensed variables and only using recent locality data; and 3) integrate results of both models to identify sites that may be employed in conservation efforts. We used a machine learning technique, Random Forests, to develop the models, focused on riparian zones in southern California. We identified 14.37% and 10.50% of our study area as potential and current habitat for the arroyo toad, respectively. Generally, inclusion of remotely-sensed variables reduced modeled suitability of sites, thus many areas modeled as potential habitat were not modeled as current habitat. We propose such sites could be made suitable for arroyo toads through active management, increasing current habitat by up to 67.02%. Our general approach can be employed to guide conservation efforts of virtually any species with sufficient data necessary to develop appropriate distribution models.

Associations between a Leader's Work Passion and an Employee's Work Passion: A Moderated Mediation Model

PubMed Central

Li, Jingjing; Zhang, Jian; Yang, Zhiguo

2017-01-01

Based on the theory of emotional contagion and goal content, this study explored the positive associations between a leader's work passion and employees' work passion. This study investigated 364 employees and their immediate leaders from China, constructed a moderated mediation model, and used SPSS-PROCESS in conjunction with the Johnson-Neyman technique to analyze the data. The results showed that a leader's work passion was transferred to employees via emotional contagion, and the contagion process was moderated by leader–employee goal content congruence. This study provides a potential way to stimulate employees' work passion from the perspective of leader–employee interactions. Moreover, the limitations of the study and potential topics for future research are discussed. PMID:28894430

Associations between a Leader's Work Passion and an Employee's Work Passion: A Moderated Mediation Model.

PubMed

Li, Jingjing; Zhang, Jian; Yang, Zhiguo

2017-01-01

Based on the theory of emotional contagion and goal content, this study explored the positive associations between a leader's work passion and employees' work passion. This study investigated 364 employees and their immediate leaders from China, constructed a moderated mediation model, and used SPSS-PROCESS in conjunction with the Johnson-Neyman technique to analyze the data. The results showed that a leader's work passion was transferred to employees via emotional contagion, and the contagion process was moderated by leader-employee goal content congruence. This study provides a potential way to stimulate employees' work passion from the perspective of leader-employee interactions. Moreover, the limitations of the study and potential topics for future research are discussed.

Parents and friends both matter: simultaneous and interactive influences of parents and friends on European schoolchildren’s energy balance-related behaviours – the ENERGY cross-sectional study

PubMed Central

2014-01-01

Background The family, and parents in particular, are considered the most important influencers regarding children’s energy-balance related behaviours (EBRBs). When children become older and gain more behavioural autonomy regarding different behaviours, the parental influences may become less important and peer influences may gain importance. Therefore the current study aims to investigate simultaneous and interactive associations of family rules, parent and friend norms and modelling with soft drink intake, TV viewing, daily breakfast consumption and sport participation among schoolchildren across Europe. Methods A school-based cross-sectional survey in eight countries across Europe among 10–12 year old schoolchildren. Child questionnaires were used to assess EBRBs (soft drink intake, TV viewing, breakfast consumption, sport participation), and potential determinants of these behaviours as perceived by the child, including family rules, parental and friend norms and modelling. Linear and logistic regression analyses (n = 7811) were applied to study the association of parental (norms, modelling and rules) and friend influences (norm and modelling) with the EBRBs. In addition, potential moderating effects of parental influences on the associations of friend influences with the EBRBs were studied by including interaction terms. Results Children reported more unfavourable friend norms and modelling regarding soft drink intake and TV viewing, while they reported more favourable friend and parental norms and modelling for breakfast consumption and physical activity. Perceived friend and parental norms and modelling were significantly positively associated with soft drink intake, breakfast consumption, physical activity (only modelling) and TV time. Across the different behaviours, ten significant interactions between parental and friend influencing variables were found and suggested a weaker association of friend norms and modelling when rules were in place. Conclusion Parental and friends norm and modelling are associated with schoolchildren’s energy balance-related behaviours. Having family rules or showing favourable parental modelling and norms seems to reduce the potential unfavourable associations of friends’ norms and modelling with the EBRBs. PMID:25001090

Gas Hydrate Petroleum System Modeling in western Nankai Trough Area

NASA Astrophysics Data System (ADS)

Tanaka, M.; Aung, T. T.; Fujii, T.; Wada, N.; Komatsu, Y.

2017-12-01

Since 2003, we have been conducting Gas Hydrate (GH) petroleum system models covering the eastern Nankai Trough, Japan, and results of resource potential from regional model shows good match with the value depicted from seismic and log data. In this year, we have applied this method to explore GH potential in study area. In our study area, GH prospects have been identified with aid of bottom simulating reflector (BSR) and presence of high velocity anomalies above the BSR interpreted based on 3D migration seismic and high density velocity cubes. In order to understand the pathway of biogenic methane from source to GH prospects 1D-2D-3D GH petroleum system models are built and investigated. This study comprises lower Miocene to Pleistocene, deep to shallow marine sedimentary successions of Pliocene and Pleistocene layers overlain the basement. The BSR were interpreted in Pliocene and Pleistocene layers. Based on 6 interpreted sequence boundaries from 3D migration seismic and velocity data, construction of a depth 3D framework model is made and distributed by a conceptual submarine fan depositional facies model derived from seismic facies analysis and referring existing geological report. 1D models are created to analyze lithology sensitivity to temperature and vitrinite data from an exploratory well drilled in the vicinity of study area. The PSM parameters are applied in 2D and 3D modeling and simulation. Existing report of the explanatory well reveals that thermogenic origin are considered to exist. For this reason, simulation scenarios including source formations for both biogenic and thermogenic reaction models are also investigated. Simulation results reveal lower boundary of GH saturation zone at pseudo wells has been simulated with sensitivity of a few tens of meters in comparing with interpreted BSR. From sensitivity analysis, simulated temperature was controlled by different peak generation temperature models and geochemical parameters. Progressive folding and updipping layers including paleostructure can effectively assist biogenic gas migration to upward. Biogenic and Thermogenic mixing model shows that kitchen center only has a potential for generating thermogenic hydrocarbon. Our Prospect based on seismic interpretation is consistent with high GH saturation area based on 3D modeling results.

Modelling and simulation of complex sociotechnical systems: envisioning and analysing work environments

PubMed Central

Hettinger, Lawrence J.; Kirlik, Alex; Goh, Yang Miang; Buckle, Peter

2015-01-01

Accurate comprehension and analysis of complex sociotechnical systems is a daunting task. Empirically examining, or simply envisioning the structure and behaviour of such systems challenges traditional analytic and experimental approaches as well as our everyday cognitive capabilities. Computer-based models and simulations afford potentially useful means of accomplishing sociotechnical system design and analysis objectives. From a design perspective, they can provide a basis for a common mental model among stakeholders, thereby facilitating accurate comprehension of factors impacting system performance and potential effects of system modifications. From a research perspective, models and simulations afford the means to study aspects of sociotechnical system design and operation, including the potential impact of modifications to structural and dynamic system properties, in ways not feasible with traditional experimental approaches. This paper describes issues involved in the design and use of such models and simulations and describes a proposed path forward to their development and implementation. Practitioner Summary: The size and complexity of real-world sociotechnical systems can present significant barriers to their design, comprehension and empirical analysis. This article describes the potential advantages of computer-based models and simulations for understanding factors that impact sociotechnical system design and operation, particularly with respect to process and occupational safety. PMID:25761227

Enhanced bone screw fixation with biodegradable bone cement in osteoporotic bone model.

PubMed

Juvonen, Tiina; Koistinen, Arto; Kröger, Heikki; Lappalainen, Reijo

2012-09-27

The purpose of this study was to study the potential of novel biodegradable PCL bone cement to improve bone screw fixation strength in osteoporotic bone. The biomechanical properties of bone cement (ε-polycaprolactone, PCL) and fixation strength were studied using biomechanical tests and bone screws fixed in an osteoporotic bone model. Removal torques and pullout strengths were assessed for cortical, self-tapping, and cancellous screws inserted in the osteoporotic bone model (polyurethane foam blocks with polycarbonate plate) with and without PCL bone cement. Open cell and cellular rigid foam blocks with a density of 0.12 g/cm3 were used in this model. Removal torques were significantly (more than six-fold) improved with bone cement for cancellous screws. Furthermore, the bone cement improved pullout strengths three to 12 times over depending on the screw and model material. Biodegradable bone cement turned out to be a very potential material to stabilize screw fixation in osteoporotic bone. The results warrant further research before safe clinical use, especially to clarify clinically relevant factors using real osteoporotic bone under human body conditions and dynamic fatigue testing for long-term performance.

Integrated Geologic and Geophysical Approach for Establishing Geothermal Play Fairways and Discovering Blind Geothermal Systems in the Great Basin Region, Western USA: A Progress Report

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

Faulds, James E.; Hinz, Nicholas H.; Coolbaugh, Mark F.

We have undertaken an integrated geologic, geochemical, and geophysical study of a broad 240-km-wide, 400-km-long transect stretching from west-central to eastern Nevada in the Great Basin region of the western USA. The main goal of this study is to produce a comprehensive geothermal potential map that incorporates up to 11 parameters and identifies geothermal play fairways that represent potential blind or hidden geothermal systems. Our new geothermal potential map incorporates: 1) heat flow; 2) geochemistry from springs and wells; 3) structural setting; 4) recency of faulting; 5) slip rates on Quaternary faults; 6) regional strain rate; 7) slip and dilationmore » tendency on Quaternary faults; 8) seismologic data; 9) gravity data; 10) magnetotelluric data (where available); and 11) seismic reflection data (primarily from the Carson Sink and Steptoe basins). The transect is respectively anchored on its western and eastern ends by regional 3D modeling of the Carson Sink and Steptoe basins, which will provide more detailed geothermal potential maps of these two promising areas. To date, geological, geochemical, and geophysical data sets have been assembled into an ArcGIS platform and combined into a preliminary predictive geothermal play fairway model using various statistical techniques. The fairway model consists of the following components, each of which are represented in grid-cell format in ArcGIS and combined using specified weights and mathematical operators: 1) structural component of permeability; 2) regional-scale component of permeability; 3) combined permeability, and 4) heat source model. The preliminary model demonstrates that the multiple data sets can be successfully combined into a comprehensive favorability map. An initial evaluation using known geothermal systems as benchmarks to test interpretations indicates that the preliminary modeling has done a good job assigning relative ranks of geothermal potential. However, a major challenge is defining logical relative rankings of each parameter and how best to combine the multiple data sets into the geothermal potential/ permeability map. Ongoing feedback and data analysis are in use to revise the grouping and weighting of some parameters in order to develop a more robust, optimized, final model. The final product will incorporate more parameters into a geothermal potential map than any previous effort in the region and may serve as a prototype to develop comprehensive geothermal potential maps for other regions.« less

Modeling the effects of LID practices on streams health at watershed scale

NASA Astrophysics Data System (ADS)

Shannak, S.; Jaber, F. H.

2013-12-01

Increasing impervious covers due to urbanization will lead to an increase in runoff volumes, and eventually increase flooding. Stream channels adjust by widening and eroding stream bank which would impact downstream property negatively (Chin and Gregory, 2001). Also, urban runoff drains in sediment bank areas in what's known as riparian zones and constricts stream channels (Walsh, 2009). Both physical and chemical factors associated with urbanization such as high peak flows and low water quality further stress aquatic life and contribute to overall biological condition of urban streams (Maxted et al., 1995). While LID practices have been mentioned and studied in literature for stormwater management, they have not been studied in respect to reducing potential impact on stream health. To evaluate the performance and the effectiveness of LID practices at a watershed scale, sustainable detention pond, bioretention, and permeable pavement will be modeled at watershed scale. These measures affect the storm peak flows and base flow patterns over long periods, and there is a need to characterize their effect on stream bank and bed erosion, and aquatic life. These measures will create a linkage between urban watershed development and stream conditions specifically biological health. The first phase of this study is to design and construct LID practices at the Texas A&M AgriLife Research and Extension Center-Dallas, TX to collect field data about the performance of these practices on a smaller scale. The second phase consists of simulating the performance of LID practices on a watershed scale. This simulation presents a long term model (23 years) using SWAT to evaluate the potential impacts of these practices on; potential stream bank and bed erosion, and potential impact on aquatic life in the Blunn Watershed located in Austin, TX. Sub-daily time step model simulations will be developed to simulate the effectiveness of the three LID practices with respect to reducing potential erosion from stream beds and banks by studying annual average excess shear and reducing potential impact on aquatic life by studying rapid changes and variation in flow regimes in urban streams. This study will contribute to develop a methodology that evaluates the impact of hydrological changes that occur due to urban development, on aquatic life, stream bank and bed erosion. This is an ongoing research project and results will be shared and discussed at the conference.

Two-dimensional quasineutral description of particles and fields above discrete auroral arcs

NASA Technical Reports Server (NTRS)

Newman, A. L.; Chiu, Y. T.; Cornwall, J. M.

1985-01-01

Stationary hot and cool particle distributions in the auroral magnetosphere are modelled using adiabatic assumptions of particle motion in the presence of broad-scale electrostatic potential structure. The study has identified geometrical restrictions on the type of broadscale potential structure which can be supported by a multispecies plasma having specified sources and energies. Without energization of cool thermal ionospheric electrons, a substantial parallel potential drop cannot be supported down to altitudes of 2000 km or less. Observed upward-directed field-aligned currents must be closed by return currents along field lines which support little net potential drop. In such regions the plasma density appears significantly enhanced. Model details agree well with recent broad-scale implications of satellite observations.

A generalized linear integrate-and-fire neural model produces diverse spiking behaviors.

PubMed

Mihalaş, Stefan; Niebur, Ernst

2009-03-01

For simulations of neural networks, there is a trade-off between the size of the network that can be simulated and the complexity of the model used for individual neurons. In this study, we describe a generalization of the leaky integrate-and-fire model that produces a wide variety of spiking behaviors while still being analytically solvable between firings. For different parameter values, the model produces spiking or bursting, tonic, phasic or adapting responses, depolarizing or hyperpolarizing after potentials and so forth. The model consists of a diagonalizable set of linear differential equations describing the time evolution of membrane potential, a variable threshold, and an arbitrary number of firing-induced currents. Each of these variables is modified by an update rule when the potential reaches threshold. The variables used are intuitive and have biological significance. The model's rich behavior does not come from the differential equations, which are linear, but rather from complex update rules. This single-neuron model can be implemented using algorithms similar to the standard integrate-and-fire model. It is a natural match with event-driven algorithms for which the firing times are obtained as a solution of a polynomial equation.

Simulation of axonal excitability using a Spreadsheet template created in Microsoft Excel.

PubMed

Brown, A M

2000-08-01

The objective of this present study was to implement an established simulation protocol (A.M. Brown, A methodology for simulating biological systems using Microsoft Excel, Comp. Methods Prog. Biomed. 58 (1999) 181-90) to model axonal excitability. The simulation protocol involves the use of in-cell formulas directly typed into a spreadsheet and does not require any programming skills or use of the macro language. Once the initial spreadsheet template has been set up the simulations described in this paper can be executed with a few simple keystrokes. The model axon contained voltage-gated ion channels that were modeled using Hodgkin Huxley style kinetics. The basic properties of axonal excitability modeled were: (1) threshold of action potential firing, demonstrating that not only are the stimulus amplitude and duration critical in the generation of an action potential, but also the resting membrane potential; (2) refractoriness, the phenomenon of reduced excitability immediately following an action potential. The difference between the absolute refractory period, when no amount of stimulus will elicit an action potential, and relative refractory period, when an action potential may be generated by applying increased stimulus, was demonstrated with regard to the underlying state of the Na(+) and K(+) channels; (3) temporal summation, a process by which two sub-threshold stimuli can unite to elicit an action potential was shown to be due to conductance changes outlasting the first stimulus and summing with the second stimulus-induced conductance changes to drive the membrane potential past threshold; (4) anode break excitation, where membrane hyperpolarization was shown to produce an action potential by removing Na(+) channel inactivation that is present at resting membrane potential. The simulations described in this paper provide insights into mechanisms of axonal excitation that can be carried out by following an easily understood protocol.

TSPA 1991: An initial total-system performance assessment for Yucca Mountain; Yucca Mountain Site Characterization Project

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

Barnard, R.W.; Wilson, M.L.; Dockery, H.A.

1992-07-01

This report describes an assessment of the long-term performance of a repository system that contains deeply buried highly radioactive waste; the system is assumed to be located at the potential site at Yucca Mountain, Nevada. The study includes an identification of features, events, and processes that might affect the potential repository, a construction of scenarios based on this identification, a selection of models describing these scenarios (including abstraction of appropriate models from detailed models), a selection of probability distributions for the parameters in the models, a stochastic calculation of radionuclide releases for the scenarios, and a derivation of complementary cumulativemore » distribution functions (CCDFs) for the releases. Releases and CCDFs are calculated for four categories of scenarios: aqueous flow (modeling primarily the existing conditions at the site, with allowances for climate change), gaseous flow, basaltic igneous activity, and human intrusion. The study shows that models of complex processes can be abstracted into more simplified representations that preserve the understanding of the processes and produce results consistent with those of more complex models.« less

One-loop pseudo-Goldstone masses in the minimal S O (10 ) Higgs model

NASA Astrophysics Data System (ADS)

Gráf, Lukáš; Malinský, Michal; Mede, Timon; Susič, Vasja

2017-04-01

We calculate the prominent perturbative contributions shaping the one-loop scalar spectrum of the minimal renormalizable nonsupersymmetric S O (10 ) Higgs model whose unified gauge symmetry is spontaneously broken by an adjoint scalar. Focusing on its potentially realistic 45 ⊕126 variant in which the rank is reduced by a vacuum expectation value of the 5-index antisymmetric self-dual tensor, we provide a thorough analysis of the corresponding Coleman-Weinberg one-loop effective potential, paying particular attention to the masses of the potentially tachyonic pseudo-Goldstone bosons transforming as (1, 3, 0) and (8, 1, 0) under the standard model (SM) gauge group. The results confirm the assumed existence of extended regions in the parameter space supporting a locally stable SM-like quantum vacuum inaccessible at the tree level. The effective potential tedium is compared to that encountered in the previously studied 45 ⊕16 S O (10 ) Higgs model where the polynomial corrections to the relevant pseudo-Goldstone masses turn out to be easily calculable within a very simplified purely diagrammatic approach.

Modelling the Interior Structure of Enceladus Based on the 2014's Cassini Gravity Data.

PubMed

Taubner, R-S; Leitner, J J; Firneis, M G; Hitzenberger, R

2016-06-01

We present a model for the internal structure of Saturn's moon Enceladus. This model allows us to estimate the physical conditions at the bottom of the satellite's potential subsurface water reservoir and to determine the radial distribution of pressure and gravity. This leads to a better understanding of the physical and chemical conditions at the water/rock boundary. This boundary is the most promising area on icy moons for astrobiological studies as it could serve as a potential habitat for extraterrestrial life similar to terrestrial microbes that inhabit rocky mounds on Earth's sea floors.

Using Visual Analysis to Evaluate and Refine Multilevel Models of Single-Case Studies

ERIC Educational Resources Information Center

Baek, Eun Kyeng; Petit-Bois, Merlande; Van den Noortgate, Wim; Beretvas, S. Natasha; Ferron, John M.

2016-01-01

In special education, multilevel models of single-case research have been used as a method of estimating treatment effects over time and across individuals. Although multilevel models can accurately summarize the effect, it is known that if the model is misspecified, inferences about the effects can be biased. Concern with the potential for model…

Integrating distributional, spatial prioritization, and individual-based models to evaluate potential critical habitat networks: A case study using the Northern Spotted Owl

EPA Science Inventory

As part of the northern spotted owl recovery planning effort, we evaluated a series of alternative critical habitat scenarios using a species-distribution model (MaxEnt), a conservation-planning model (Zonation), and an individual-based population model (HexSim). With this suite ...

EVALUATION OF THE COMMUNITY MULTISCALE AIR QUALITY (CMAQ) MODEL VERSION 4.5: UNCERTAINTIES AND SENSITIVITIES IMPACTING MODEL PERFORMANCE: PART I - OZONE

EPA Science Inventory

This study examines ozone (O₃) predictions from the Community Multiscale Air Quality (CMAQ) model version 4.5 and discusses potential factors influencing the model results. Daily maximum 8-hr average O₃ levels are largely underpredicted when observed O_...

Warm inflationary model in loop quantum cosmology

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

Herrera, Ramon

A warm inflationary universe model in loop quantum cosmology is studied. In general we discuss the condition of inflation in this framework. By using a chaotic potential, V({phi}){proportional_to}{phi}{sup 2}, we develop a model where the dissipation coefficient {Gamma}={Gamma}{sub 0}=constant. We use recent astronomical observations for constraining the parameters appearing in our model.

Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes

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

Peng, Bo; Govind, Niranjan; Aprà, Edoardo

In this paper we apply equation-of-motion coupled cluster (EOMCC) methods in studies of vertical ionization potentials (IP) and electron affinities (EA) for sin- gled walled carbon nanotubes. EOMCC formulations for ionization potentials and electron affinities employing excitation manifolds spanned by single and double ex- citations (IP/EA-EOMCCSD) are used to study IPs and EAs of nanotubes as a function of nanotube length. Several armchair nanotubes corresponding to C20nH20 models with n = 2 - 6 have been used in benchmark calculations. In agreement with previous studies, we demonstrate that the electronegativity of C20nH20 systems remains, to a large extent, independent ofmore » nanotube length. We also compare IP/EA- EOMCCSD results with those obtained with the coupled cluster models with single and double excitations corrected by perturbative triples, CCSD(T), and density func- tional theory (DFT) using global and range-separated hybrid exchange-correlation functionals.« less

Using the Rasch model as an objective and probabilistic technique to integrate different soil properties

NASA Astrophysics Data System (ADS)

Rebollo, Francisco J.; Jesús Moral García, Francisco

2016-04-01

Soil apparent electrical conductivity (ECa) is one of the simplest, least expensive soil measurements that integrates many soil properties affecting crop productivity, including, for instance, soil texture, water content, and cation exchange capacity. The ECa measurements obtained with a 3100 Veris sensor, operating in both shallow (0-30 cm), ECs, and deep (0-90 cm), ECd, mode, can be used as an additional and essential information to be included in a probabilistic model, the Rasch model, with the aim of quantifying the overall soil fertililty potential in an agricultural field. This quantification should integrate the main soil physical and chemical properties, with different units. In this work, the formulation of the Rasch model integrates 11 soil properties (clay, silt and sand content, organic matter -OM-, pH, total nitrogen -TN-, available phosphorus -AP- and potassium -AK-, cation exchange capacity -CEC-, ECd, and ECs) measured at 70 locations in a field. The main outputs of the model include a ranking of all soil samples according to their relative fertility potential and the unexpected behaviours of some soil samples and properties. In the case study, the considered soil variables fit the model reasonably, having an important influence on soil fertility, except pH, probably due to its homogeneity in the field. Moreover, ECd, ECs are the most influential properties on soil fertility and, on the other hand, AP and AK the less influential properties. The use of the Rasch model to estimate soil fertility potential (always in a relative way, taking into account the characteristics of the studied soil) constitutes a new application of great practical importance, enabling to rationally determine locations in a field where high soil fertility potential exists and establishing those soil samples or properties which have any anomaly; this information can be necessary to conduct site-specific treatments, leading to a more cost-effective and sustainable field management. Furthermore, from the measures of soil fertility potential at sampled locations, estimates can be computed using, for instance, a geostatistical algorithm, and these estimates can be utilized to map soil fertility potential and delineate with a rational basis the management zones in the field. Keywords: Rasch model; soil management; soil electrical conductivity; probabilistic algorithm.

Spurious Latent Classes in the Mixture Rasch Model

ERIC Educational Resources Information Center

Alexeev, Natalia; Templin, Jonathan; Cohen, Allan S.

2011-01-01

Mixture Rasch models have been used to study a number of psychometric issues such as goodness of fit, response strategy differences, strategy shifts, and multidimensionality. Although these models offer the potential for improving understanding of the latent variables being measured, under some conditions overextraction of latent classes may…

Entrepreneurship Education Revisited: Perceived Entrepreneurial Role Models Increase Perceived Behavioural Control

ERIC Educational Resources Information Center

Fellnhofer, Katharina

2017-01-01

Relying on Bandura's (1986) social learning theory, Ajzen's (1988) theory of planned behaviour (TPB), and Dyer's (1994) model of entrepreneurial careers, this study aims to highlight the potential of entrepreneurial role models to entrepreneurship education. The results suggest that entrepreneurial courses would greatly benefit from real-life…

Projective Item Response Model for Test-Independent Measurement

ERIC Educational Resources Information Center

Ip, Edward Hak-Sing; Chen, Shyh-Huei

2012-01-01

The problem of fitting unidimensional item-response models to potentially multidimensional data has been extensively studied. The focus of this article is on response data that contains a major dimension of interest but that may also contain minor nuisance dimensions. Because fitting a unidimensional model to multidimensional data results in…

Inner ear test battery in guinea pig models - a review.

PubMed

Young, Yi-Ho

2018-06-01

This study reviewed the development of the inner ear test battery comprising auditory brainstem response (ABR), and caloric, ocular vestibular-evoked myogenic potential (oVEMP), and cervical vestibular-evoked myogenic potential (cVEMP) tests in guinea pig models at our laboratory over the last 20 years. Detailed description of the methodology for testing the small animals is also included. Inner ear disorders, i.e. ototoxicity, noise exposure, or perilymph fistula were established in guinea pig models first. One to four weeks after operation, each animal underwent ABR, oVEMP, cVEMP, and caloric tests. Then, animals were sacrificed for morphological study in the temporal bones. Inner ear endorgans can be comprehensively evaluated in guinea pig models via an inner ear test battery, which provides thorough information on the cochlea, saccule, utricle, and semicircular canal function of guinea pigs. Coupled with morphological study in the temporal bones of the animals may help elucidate the mechanism of inner ear disorders in humans. The inner ear test battery in guinea pig models may encourage young researchers to perform basic study in animals and stimulate the progress of experimental otology which is in evolution.

Improving Recovery from Catastrophic Bone Injuries: An Animal Model for Assessing the Bone Reparative Potential of Progenitor Cell Therapy

DTIC Science & Technology

2009-08-01

make structurally different bone in vivo – Although calvarial and BMSC have osteogenic potential, they make a very different type of bone. The two...calvarial defect model. Extracel™ hydrogel is based on thiolated hyaluronate (Glycosil) and thiolated gelatin (Gelin- S) which are crosslinked by...for encapsulation of cells for 3D cultures and in vivo study. Each component of Extracel™ is chemically defined. Variation of the hydrogel

Numerical evaluation of longitudinal motions of Wigley hulls advancing in waves by using Bessho form translating-pulsating source Green'S function

NASA Astrophysics Data System (ADS)

Xiao, Wenbin; Dong, Wencai

2016-06-01

In the framework of 3D potential flow theory, Bessho form translating-pulsating source Green's function in frequency domain is chosen as the integral kernel in this study and hybrid source-and-dipole distribution model of the boundary element method is applied to directly solve the velocity potential for advancing ship in regular waves. Numerical characteristics of the Green function show that the contribution of local-flow components to velocity potential is concentrated at the nearby source point area and the wave component dominates the magnitude of velocity potential in the far field. Two kinds of mathematical models, with or without local-flow components taken into account, are adopted to numerically calculate the longitudinal motions of Wigley hulls, which demonstrates the applicability of translating-pulsating source Green's function method for various ship forms. In addition, the mesh analysis of discrete surface is carried out from the perspective of ship-form characteristics. The study shows that the longitudinal motion results by the simplified model are somewhat greater than the experimental data in the resonant zone, and the model can be used as an effective tool to predict ship seakeeping properties. However, translating-pulsating source Green function method is only appropriate for the qualitative analysis of motion response in waves if the ship geometrical shape fails to satisfy the slender-body assumption.

Study on structures and properties of ammonia clusters (NH3)n (n=1-5) and liquid ammonia in terms of ab initio method and atom-bond electronegativity equalization method ammonia-8P fluctuating charge potential model.

PubMed

Yu, Ling; Yang, Zhong-Zhi

2010-05-07

Structures, binding energies, and vibrational frequencies of (NH(3))(n) (n=2-5) isomers and dynamical properties of liquid ammonia have been explored using a transferable intermolecular potential eight point model including fluctuating charges and flexible body based on a combination of the atom-bond electronegativity equalization and molecular (ABEEM) mechanics (ABEEM ammonia-8P) in this paper. The important feature of this model is to divide the charge sites of one ammonia molecule into eight points region containing four atoms, three sigma bonds, and a lone pair, and allows the charges in system to fluctuate responding to the ambient environment. Due to the explicit descriptions of charges and special treatment of hydrogen bonds, the results of equilibrium geometries, dipole moments, cluster interaction energies, vibrational frequencies for the gas phase of small ammonia clusters, and radial distribution function for liquid ammonia calculated with the ABEEM ammonia-8P potential model are in good agreement with those measured by available experiments and those obtained from high level ab initio calculations. The properties of ammonia dimer are studied in detail involving the structure and one-dimensional, two-dimensional potential energy surface. As for interaction energies, the root mean square deviation is 0.27 kcal/mol, and the linear correlation coefficient reaches 0.994.

Modeling pollution potential input from the drainage basin into Barra Bonita reservoir, São Paulo - Brazil.

PubMed

Prado, R B; Novo, E M L M

2015-05-01

In this study multi-criteria modeling tools are applied to map the spatial distribution of drainage basin potential to pollute Barra Bonita Reservoir, São Paulo State, Brasil. Barra Bonita Reservoir Basin had undergone intense land use/land cover changes in the last decades, including the fast conversion from pasture into sugarcane. In this respect, this study answers to the lack of information about the variables (criteria) which affect the pollution potential of the drainage basin by building a Geographic Information System which provides their spatial distribution at sub-basin level. The GIS was fed by several data (geomorphology, pedology, geology, drainage network and rainfall) provided by public agencies. Landsat satellite images provided land use/land cover map for 2002. Ratings and weights of each criterion defined by specialists supported the modeling process. The results showed a wide variability in the pollution potential of different sub-basins according to the application of different criterion. If only land use is analyzed, for instance, less than 50% of the basin is classified as highly threatening to water quality and include sub basins located near the reservoir, indicating the importance of protection areas at the margins. Despite the subjectivity involved in the weighing processes, the multi-criteria analysis model allowed the simulation of scenarios which support rational land use polices at sub-basin level regarding the protection of water resources.

Preliminary study of the aquifers of the lower Mesilla Valley in Texas and New Mexico by model simulation

USGS Publications Warehouse

Gates, J.S.; White, D.E.; Leggat, E.R.

1984-01-01

Because the salinity of water in all three aquifers south of Canutillo is greater than elsewhere in the study area, there is potential for movement of this water northward toward the Canutillo well field if the cone of depression reaches that part of the aquifer system. This potential should be evaluated in future geohydrologic studies of the lower Mesilla Valley.

Empirical simulations of materials

NASA Astrophysics Data System (ADS)

Jogireddy, Vasantha

2011-12-01

Molecular dynamics is a specialized discipline of molecular modelling and computer techniques. In this work, first we presented simulation results from a study carried out on silicon nanowires. In the second part of the work, we presented an electrostatic screened coulomb potential developed for studying metal alloys and metal oxides. In particular, we have studied aluminum-copper alloys, aluminum oxides and copper oxides. Parameter optimization for the potential is done using multiobjective optimization algorithms.

Fungal community structure under goat willows (Salix caprea L.) growing at metal polluted site: the potential of screening in a model phytostabilisation study

Treesearch

Marjana Regvar; Matevz Likar; Andrej Piltaver; Nives Kugonic; Jane E. Smith

2010-01-01

Goat willow (Salix caprea L.) was selected in a previous vegetation screening study as a potential candidate for the later-stage phytostabilisation efforts at a heavily metal polluted site in Slovenia. The aims of this study were to identify the fungi colonising roots of S. caprea along the gradient of vegetation succession and...

Advantages of a dual-tracer model over reference tissue models for binding potential measurement in tumors

PubMed Central

Tichauer, K M; Samkoe, K S; Klubben, W S; Hasan, T; Pogue, B W

2012-01-01

The quantification of tumor molecular expression in vivo could have a significant impact for informing and monitoring immerging targeted therapies in oncology. Molecular imaging of targeted tracers can be used to quantify receptor expression in the form of a binding potential (BP) if the arterial input curve or a surrogate of it is also measured. However, the assumptions of the most common approaches (reference tissue models) may not be valid for use in tumors. In this study, the validity of reference tissue models is investigated for use in tumors experimentally and in simulations. Three different tumor lines were grown subcutaneously in athymic mice and the mice were injected with a mixture of an epidermal growth factor receptor- (EGFR-) targeted fluorescent tracer and an untargeted fluorescent tracer. A one-compartment plasma input model demonstrated that the transport kinetics of both tracers were significantly different between tumors and all potential reference tissues, and using the reference tissue model resulted in a theoretical underestimation in BP of 50 ± 37%. On the other hand, the targeted and untargeted tracers demonstrated similar transport kinetics, allowing a dual-tracer approach to be employed to accurately estimate binding potential (with a theoretical error of 0.23 ± 9.07%). These findings highlight the potential for using a dual-tracer approach to quantify receptor expression in tumors with abnormal hemodynamics, possibly to inform the choice or progress of molecular cancer therapies. PMID:23022732

Modeling the stratigraphy and preservation potential of meandering stream deposits

NASA Astrophysics Data System (ADS)

Tucker, G. E.; Clevis, Q.; Lock, G.; Lancaster, S.; Desitter, A.

2003-12-01

Both natural and human-induced modes of river and floodplain behavior have the potential to obscure, expose, or even destroy portions of the archaeological record. In valley systems with actively meandering channels much material can be lost to lateral bank erosion. Conversely, floodplain aggradation can bury and therefore obscure sites. In this study we aim to quantify the preservation potential of fluvial units containing archaeological sites as a function of the natural process of meandering, climate change and increased land-use during the Holocene. We used the CHILD simulation model of landscape evolution to explore alternative scenarios in which these three factors are both varied independently and combined. Boundary and initial conditions for the model scenarios are based on the Holocene evolution of the archaeologically-rich Upper Thames Valley, which is known to have witnessed variations in flood frequency, land-clearance, episodic alluviation and river entrenchment. The CHILD model is set up to combine four components that simulate the development of valley and floodplain system: hillslope and channel erosion, lateral stream meandering, overbank deposition, and the accumulation of a 3D stratigraphy. The landscape is represented by an adaptable triangular mesh of nodes, especially suited for simulating the gradual shifting of meander bends. The new stratigraphic layering routine recently added to the model in improves the resolution of the stratigraphic record accumulated by the model. Simulation results reveal systematic controls on preservation potential, and suggest potential sources of bias in the archaeological record.

An automated technique to identify potential inappropriate traditional Chinese medicine (TCM) prescriptions.

PubMed

Yang, Hsuan-Chia; Iqbal, Usman; Nguyen, Phung Anh; Lin, Shen-Hsien; Huang, Chih-Wei; Jian, Wen-Shan; Li, Yu-Chuan

2016-04-01

Medication errors such as potential inappropriate prescriptions would induce serious adverse drug events to patients. Information technology has the ability to prevent medication errors; however, the pharmacology of traditional Chinese medicine (TCM) is not as clear as in western medicine. The aim of this study was to apply the appropriateness of prescription (AOP) model to identify potential inappropriate TCM prescriptions. We used the association rule of mining techniques to analyze 14.5 million prescriptions from the Taiwan National Health Insurance Research Database. The disease and TCM (DTCM) and traditional Chinese medicine-traditional Chinese medicine (TCMM) associations are computed by their co-occurrence, and the associations' strength was measured as Q-values, which often referred to as interestingness or life values. By considering the number of Q-values, the AOP model was applied to identify the inappropriate prescriptions. Afterwards, three traditional Chinese physicians evaluated 1920 prescriptions and validated the detected outcomes from the AOP model. Out of 1920 prescriptions, 97.1% of positive predictive value and 19.5% of negative predictive value were shown by the system as compared with those by experts. The sensitivity analysis indicated that the negative predictive value could improve up to 27.5% when the model's threshold changed to 0.4. We successfully applied the AOP model to automatically identify potential inappropriate TCM prescriptions. This model could be a potential TCM clinical decision support system in order to improve drug safety and quality of care. Copyright © 2016 John Wiley & Sons, Ltd.

Nonlinear Dynamic Modeling of Neuron Action Potential Threshold During Synaptically Driven Broadband Intracellular Activity

PubMed Central

Roach, Shane M.; Song, Dong; Berger, Theodore W.

2012-01-01

Activity-dependent variation of neuronal thresholds for action potential (AP) generation is one of the key determinants of spike-train temporal-pattern transformations from presynaptic to postsynaptic spike trains. In this study, we model the nonlinear dynamics of the threshold variation during synaptically driven broadband intracellular activity. First, membrane potentials of single CA1 pyramidal cells were recorded under physiologically plausible broadband stimulation conditions. Second, a method was developed to measure AP thresholds from the continuous recordings of membrane potentials. It involves measuring the turning points of APs by analyzing the third-order derivatives of the membrane potentials. Four stimulation paradigms with different temporal patterns were applied to validate this method by comparing the measured AP turning points and the actual AP thresholds estimated with varying stimulation intensities. Results show that the AP turning points provide consistent measurement of the AP thresholds, except for a constant offset. It indicates that 1) the variation of AP turning points represents the nonlinearities of threshold dynamics; and 2) an optimization of the constant offset is required to achieve accurate spike prediction. Third, a nonlinear dynamical third-order Volterra model was built to describe the relations between the threshold dynamics and the AP activities. Results show that the model can predict threshold accurately based on the preceding APs. Finally, the dynamic threshold model was integrated into a previously developed single neuron model and resulted in a 33% improvement in spike prediction. PMID:22156947

Systematic study of α decay of nuclei around the Z =82 , N =126 shell closures within the cluster-formation model and proximity potential 1977 formalism

NASA Astrophysics Data System (ADS)

Deng, Jun-Gang; Zhao, Jie-Cheng; Chu, Peng-Cheng; Li, Xiao-Hua

2018-04-01

In the present work, we systematically study the α decay preformation factors Pα within the cluster-formation model and α decay half-lives by the proximity potential 1977 formalism for nuclei around Z =82 ,N =126 closed shells. The calculations show that the realistic Pα is linearly dependent on the product of valance protons (holes) and valance neutrons (holes) NpNn . It is consistent with our previous works [Sun et al., Phys. Rev. C 94, 024338 (2016), 10.1103/PhysRevC.94.024338; Deng et al., Phys. Rev. C 96, 024318 (2017), 10.1103/PhysRevC.96.024318], in which Pα are model dependent and extracted from the ratios of calculated α half-lives to experimental data. Combining with our previous works, we confirm that the valance proton-neutron interaction plays a key role in the α preformation for nuclei around Z =82 ,N =126 shell closures whether the Pα is model dependent or microcosmic. In addition, our calculated α decay half-lives by using the proximity potential 1977 formalism taking Pα evaluated by the cluster-formation model can well reproduce the experimental data and significantly reduce the errors.

Investigation of whiplash injuries in the upper cervical spine using a detailed neck model.

PubMed

Fice, Jason B; Cronin, Duane S

2012-04-05

Whiplash injuries continue to have significant societal cost; however, the mechanism and location of whiplash injury is still under investigation. Recently, the upper cervical spine ligaments, particularly the alar ligament, have been identified as a potential whiplash injury location. In this study, a detailed and validated explicit finite element model of a 50th percentile male cervical spine in a seated posture was used to investigate upper cervical spine response and the potential for whiplash injury resulting from vehicle crash scenarios. This model was previously validated at the segment and whole spine levels for both kinematics and soft tissue strains in frontal and rear impact scenarios. The model predicted increasing upper cervical spine ligament strain with increasing impact severity. Considering all upper cervical spine ligaments, the distractions in the apical and alar ligaments were the largest relative to their failure strains, in agreement with the clinical findings. The model predicted the potential for injury to the apical ligament for 15.2 g frontal or 11.7 g rear impacts, and to the alar ligament for a 20.7 g frontal or 14.4 g rear impact based on the ligament distractions. Future studies should consider the effect of initial occupant position on ligament distraction. Copyright © 2012 Elsevier Ltd. All rights reserved.

Electronic Cigarettes and Indoor Air Quality: A Simple Approach to Modeling Potential Bystander Exposures to Nicotine

PubMed Central

Colard, Stéphane; O’Connell, Grant; Verron, Thomas; Cahours, Xavier; Pritchard, John D.

2014-01-01

There has been rapid growth in the use of electronic cigarettes (“vaping”) in Europe, North America and elsewhere. With such increased prevalence, there is currently a debate on whether the aerosol exhaled following the use of e-cigarettes has implications for the quality of air breathed by bystanders. Conducting chemical analysis of the indoor environment can be costly and resource intensive, limiting the number of studies which can be conducted. However, this can be modelled reasonably accurately based on empirical emissions data and using some basic assumptions. Here, we present a simplified model, based on physical principles, which considers aerosol propagation, dilution and extraction to determine the potential contribution of a single puff from an e-cigarette to indoor air. From this, it was then possible to simulate the cumulative effect of vaping over time. The model was applied to a virtual, but plausible, scenario considering an e-cigarette user and a non-user working in the same office space. The model was also used to reproduce published experimental studies and showed good agreement with the published values of indoor air nicotine concentration. With some additional refinements, such an approach may be a cost-effective and rapid way of assessing the potential exposure of bystanders to exhaled e-cigarette aerosol constituents. PMID:25547398

From the baker to the bedside: yeast models of Parkinson's disease

PubMed Central

Menezes, Regina; Tenreiro, Sandra; Macedo, Diana; Santos, Cláudia N.; Outeiro, Tiago F.

2015-01-01

The baker’s yeast Saccharomyces cerevisiae has been extensively explored for our understanding of fundamental cell biology processes highly conserved in the eukaryotic kingdom. In this context, they have proven invaluable in the study of complex mechanisms such as those involved in a variety of human disorders. Here, we first provide a brief historical perspective on the emergence of yeast as an experimental model and on how the field evolved to exploit the potential of the model for tackling the intricacies of various human diseases. In particular, we focus on existing yeast models of the molecular underpinnings of Parkinson’s disease (PD), focusing primarily on the central role of protein quality control systems. Finally, we compile and discuss the major discoveries derived from these studies, highlighting their far-reaching impact on the elucidation of PD-associated mechanisms as well as in the identification of candidate therapeutic targets and compounds with therapeutic potential. PMID:28357302

Clinic Workflow Simulations using Secondary EHR Data

PubMed Central

Hribar, Michelle R.; Biermann, David; Read-Brown, Sarah; Reznick, Leah; Lombardi, Lorinna; Parikh, Mansi; Chamberlain, Winston; Yackel, Thomas R.; Chiang, Michael F.

2016-01-01

Clinicians today face increased patient loads, decreased reimbursements and potential negative productivity impacts of using electronic health records (EHR), but have little guidance on how to improve clinic efficiency. Discrete event simulation models are powerful tools for evaluating clinical workflow and improving efficiency, particularly when they are built from secondary EHR timing data. The purpose of this study is to demonstrate that these simulation models can be used for resource allocation decision making as well as for evaluating novel scheduling strategies in outpatient ophthalmology clinics. Key findings from this study are that: 1) secondary use of EHR timestamp data in simulation models represents clinic workflow, 2) simulations provide insight into the best allocation of resources in a clinic, 3) simulations provide critical information for schedule creation and decision making by clinic managers, and 4) simulation models built from EHR data are potentially generalizable. PMID:28269861

Mathematics teacher professional development in and through internet use: reflections on an ethnographic study

NASA Astrophysics Data System (ADS)

Patahuddin, Sitti Maesuri

2013-12-01

This paper is a reflection on a model for mathematics teacher professional development with respect to technology. The model was informed by three interrelated concepts: (1) a theory of teacher professional development from analysis of the field, (2) the zone theory of teacher professional learning, and (3) ethnography as a method. The model was applied in a study that focused on the uses of the Internet for primary mathematics teacher professional development, particularly to exploit the potential of the Internet for professional learning and to use it in professional work. This is illustrated through selected critical events over an eight-month ethnographic intervention in a primary mathematics classroom in Australia. Though the model is theoretically grounded, it opens up questions about the power, potential, and challenges as well as its feasibility, with respect to not only the teacher but also the ethnographer.

Preliminary analysis on hybrid Box-Jenkins - GARCH modeling in forecasting gold price

NASA Astrophysics Data System (ADS)

Yaziz, Siti Roslindar; Azizan, Noor Azlinna; Ahmad, Maizah Hura; Zakaria, Roslinazairimah; Agrawal, Manju; Boland, John

2015-02-01

Gold has been regarded as a valuable precious metal and the most popular commodity as a healthy return investment. Hence, the analysis and prediction of gold price become very significant to investors. This study is a preliminary analysis on gold price and its volatility that focuses on the performance of hybrid Box-Jenkins models together with GARCH in analyzing and forecasting gold price. The Box-Cox formula is used as the data transformation method due to its potential best practice in normalizing data, stabilizing variance and reduces heteroscedasticity using 41-year daily gold price data series starting 2nd January 1973. Our study indicates that the proposed hybrid model ARIMA-GARCH with t-innovation can be a new potential approach in forecasting gold price. This finding proves the strength of GARCH in handling volatility in the gold price as well as overcomes the non-linear limitation in the Box-Jenkins modeling.

Potential Distribution of Mountain Cloud Forest in Michoacán, Mexico: Prioritization for Conservation in the Context of Landscape Connectivity.

PubMed

Correa Ayram, Camilo A; Mendoza, Manuel E; Etter, Andrés; Pérez Salicrup, Diego R

2017-07-01

Landscape connectivity is essential in biodiversity conservation because of its ability to reduce the effect of habitat fragmentation; furthermore is a key property in adapting to climate change. Potential distribution models and landscape connectivity studies have increased with regard to their utility to prioritizing areas for conservation. The objective of this study was to model the potential distribution of Mountain cloud forests in the Transversal Volcanic System, Michoacán and to analyze the role of these areas in maintaining landscape connectivity. Potential distribution was modeled for the Mountain cloud forests based on the maximum entropy approach using 95 occurrence points and 17 ecological variables at 30 m spatial resolution. Potential connectivity was then evaluated by using a probability of connectivity index based on graph theory. The percentage of variation (dPCk) was used to identify the individual contribution of each potential area of Mountain cloud forests in overall connectivity. The different ways in which the potential areas of Mountain cloud forests can contribute to connectivity were evaluated by using the three fractions derived from dPCk (dPCintrak, dPCfluxk, and dPCconnectork). We determined that 37,567 ha of the TVSMich are optimal for the presence of Mountain cloud forests. The contribution of said area in the maintenance of connectivity was low. The conservation of Mountain cloud forests is indispensable, however, in providing or receiving dispersal flows through TVSMich because of its role as a connector element between another habitat types. The knowledge of the potential capacity of Mountain cloud forests to promote structural and functional landscape connectivity is key in the prioritization of conservation areas.

Exploring the Mechanisms of Ecological Land Change Based on the Spatial Autoregressive Model: A Case Study of the Poyang Lake Eco-Economic Zone, China

PubMed Central

Xie, Hualin; Liu, Zhifei; Wang, Peng; Liu, Guiying; Lu, Fucai

2013-01-01

Ecological land is one of the key resources and conditions for the survival of humans because it can provide ecosystem services and is particularly important to public health and safety. It is extremely valuable for effective ecological management to explore the evolution mechanisms of ecological land. Based on spatial statistical analyses, we explored the spatial disparities and primary potential drivers of ecological land change in the Poyang Lake Eco-economic Zone of China. The results demonstrated that the global Moran’s I value is 0.1646 during the 1990 to 2005 time period and indicated significant positive spatial correlation (p < 0.05). The results also imply that the clustering trend of ecological land changes weakened in the study area. Some potential driving forces were identified by applying the spatial autoregressive model in this study. The results demonstrated that the higher economic development level and industrialization rate were the main drivers for the faster change of ecological land in the study area. This study also tested the superiority of the spatial autoregressive model to study the mechanisms of ecological land change by comparing it with the traditional linear regressive model. PMID:24384778

Quality Professional Development for Secondary Science Teachers

ERIC Educational Resources Information Center

Mchazlett, Dwight Henry, Jr.

2015-01-01

This record of study (ROS) explores the perceptions of three high school biology teachers who implemented a form of the Japanese originated Lesson Study Professional Development (LS PD) model. Additionally, this ROS reports on the perceptions of the internal stakeholders with regard to the model's viability as a potential solution to a proposed…

Exploring the Utility of Workload Models in Academe: A Pilot Study

ERIC Educational Resources Information Center

Boyd, Leanne

2014-01-01

The workload of academics in Australia is increasing. Among the potential ramifications of this are work-related stress and burnout. Unions have negotiated workload models in employment agreements as a means of distributing workload in a fair and transparent manner. This qualitative pilot study aimed to explore how academics perceive their current…

A field and modeling study to assess the potential mitigation of near-road pollution by vegetative and structural barriers

EPA Science Inventory

Recent modeling and field studies have demonstrated that roadside structures such as noise barriers or tree stands, may significantly affect the local-scale transport of on-road emissions to areas located adjacent to major roadways. When directly downwind of a major roadway, conc...

A simulation study to quantify the impacts of exposure measurement error on air pollution health risk estimates in copollutant time-series models.

EPA Science Inventory

BackgroundExposure measurement error in copollutant epidemiologic models has the potential to introduce bias in relative risk (RR) estimates. A simulation study was conducted using empirical data to quantify the impact of correlated measurement errors in time-series analyses of a...

The Costs and Potential Benefits of Alternative Scholarly Publishing Models

ERIC Educational Resources Information Center

Houghton, John W.

2011-01-01

Introduction: This paper reports on a study undertaken for the UK Joint Information Systems Committee (JISC), which explored the economic implications of alternative scholarly publishing models. Rather than simply summarising the study's findings, this paper focuses on the approach and presents a step-by-step account of the research process,…

Community College Presidents' Decision-Making Processes during a Potential Crisis

ERIC Educational Resources Information Center

Berry, Judith Kaye

2013-01-01

This case study addressed how community college presidents make decisions under conditions that can escalate to full-scale crises. The purpose of this study was to gather data to support the development of alternative models or refinement of existing models for crisis decision making on community college campuses, using an abbreviated…

Washington Geothermal Play Fairway Analysis Data From Potential Field Studies

DOE Data Explorer

Anderson, Megan; Ritzinger, Brent; Glen, Jonathan; Schermerhorn, William

2017-12-20

A recent study which adapts play fairway analysis (PFA) methodology to assess geothermal potential was conducted at three locations (Mount Baker, Mount St. Helens seismic zone, and Wind River valley) along the Washington Cascade Range (Forson et al. 2017). Potential field (gravity and magnetic) methods which can detect subsurface contrasts in physical properties, provides a means for mapping and modeling subsurface geology and structure. As part of the WA-Cascade PFA project, we performed potential field studies by collecting high-resolution gravity and ground-magnetic data, and rock property measurements to (1) identify and constrain fault geometries (2) constrain subsurface lithologic distribution (3) study fault interactions (4) identify areas favorable to hydrothermal flow, and ultimately (5) guide future geothermal exploration at each location.

The potential of epigenetics in stress-enhanced fear learning models of PTSD

PubMed Central

Blouin, Ashley M.; Sillivan, Stephanie E.; Joseph, Nadine F.

2016-01-01

Prolonged distress and dysregulated memory processes are the core features of post-traumatic stress disorder (PTSD) and represent the debilitating, persistent nature of the illness. However, the neurobiological mechanisms underlying the expression of these symptoms are challenging to study in human patients. Stress-enhanced fear learning (SEFL) paradigms, which encompass both stress and memory components in rodents, are emerging as valuable preclinical models of PTSD. Rodent models designed to study the long-term mechanisms of either stress or fear memory alone have identified a critical role for numerous epigenetic modifications to DNA and histone proteins. However, the epigenetic modifications underlying SEFL remain largely unknown. This review will provide a brief overview of the epigenetic modifications implicated in stress and fear memory independently, followed by a description of existing SEFL models and the few epigenetic mechanisms found to date to underlie SEFL. The results of the animal studies discussed here highlight neuroepigenetics as an essential area for future research in the context of PTSD through SEFL studies, because of its potential to identify novel candidates for neurotherapeutics targeting stress-induced pathogenic memories. PMID:27634148

A study on assimilating potential vorticity data

NASA Astrophysics Data System (ADS)

Li, Yong; Ménard, Richard; Riishøjgaard, Lars Peter; Cohn, Stephen E.; Rood, Richard B.

1998-08-01

The correlation that exists between the potential vorticity (PV) field and the distribution of chemical tracers such as ozone suggests the possibility of using tracer observations as proxy PV data in atmospheric data assimilation systems. Especially in the stratosphere, there are plentiful tracer observations but a general lack of reliable wind observations, and the correlation is most pronounced. The issue investigated in this study is how model dynamics would respond to the assimilation of PV data. First, numerical experiments of identical-twin type were conducted with a simple univariate nuding algorithm and a global shallow water model based on PV and divergence (PV-D model). All model fields are successfully reconstructed through the insertion of complete PV data alone if an appropriate value for the nudging coefficient is used. A simple linear analysis suggests that slow modes are recovered rapidly, at a rate nearly independent of spatial scale. In a more realistic experiment, appropriately scaled total ozone data from the NIMBUS-7 TOMS instrument were assimilated as proxy PV data into the PV-D model over a 10-day period. The resulting model PV field matches the observed total ozone field relatively well on large spatial scales, and the PV, geopotential and divergence fields are dynamically consistent. These results indicate the potential usefulness that tracer observations, as proxy PV data, may offer in a data assimilation system.

An Algorithm and R Program for Fitting and Simulation of Pharmacokinetic and Pharmacodynamic Data.

PubMed

Li, Jijie; Yan, Kewei; Hou, Lisha; Du, Xudong; Zhu, Ping; Zheng, Li; Zhu, Cairong

2017-06-01

Pharmacokinetic/pharmacodynamic link models are widely used in dose-finding studies. By applying such models, the results of initial pharmacokinetic/pharmacodynamic studies can be used to predict the potential therapeutic dose range. This knowledge can improve the design of later comparative large-scale clinical trials by reducing the number of participants and saving time and resources. However, the modeling process can be challenging, time consuming, and costly, even when using cutting-edge, powerful pharmacological software. Here, we provide a freely available R program for expediently analyzing pharmacokinetic/pharmacodynamic data, including data importation, parameter estimation, simulation, and model diagnostics. First, we explain the theory related to the establishment of the pharmacokinetic/pharmacodynamic link model. Subsequently, we present the algorithms used for parameter estimation and potential therapeutic dose computation. The implementation of the R program is illustrated by a clinical example. The software package is then validated by comparing the model parameters and the goodness-of-fit statistics generated by our R package with those generated by the widely used pharmacological software WinNonlin. The pharmacokinetic and pharmacodynamic parameters as well as the potential recommended therapeutic dose can be acquired with the R package. The validation process shows that the parameters estimated using our package are satisfactory. The R program developed and presented here provides pharmacokinetic researchers with a simple and easy-to-access tool for pharmacokinetic/pharmacodynamic analysis on personal computers.

An {alpha}-cluster model for {sub {Lambda}}{sup 9}Be spectroscopy

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

Filikhin, I. N., E-mail: ifilikhin@nccu.edu; Suslov, V. M.; Vlahovic, B.

An {alpha}-cluster model is applied to study low-lying spectrum of the {sub {Lambda}}{sup 9}Be hypernucleus. The three-body {alpha}{alpha}{Lambda} problem is numerically solved by the Faddeev equations in configuration space using phenomenological pair potentials. We found a set of the potentials that reproduces experimental data for the ground state (1/2{sup +}) binding energy and excitation energy of the 5/2{sup +} and 3/2{sup +} states, simultaneously. This set includes the Ali-Bodmer potential of the version 'e' for {alpha}{alpha} and modified Tang-Herndon potential for {alpha}{Lambda} interactions. The spin-orbit {alpha}{Lambda} interaction is given by modified Scheerbaum potential. Low-lying energy levels are evaluated applying amore » variant of the analytical continuation method in the coupling constant. It is shown that the spectral properties of {sub {Lambda}}{sup 9}Be can be classified as an analog of {sup 9}Be spectrum with the exception of several 'genuine hypernuclear states'. This agrees qualitatively with previous studies. The results are compared with experimental data and new interpretation of the spectral structure is discussed.« less

CoMFA and CoMSIA studies on C-aryl glucoside SGLT2 inhibitors as potential anti-diabetic agents.

PubMed

Vyas, V K; Bhatt, H G; Patel, P K; Jalu, J; Chintha, C; Gupta, N; Ghate, M

2013-01-01

SGLT2 has become a target of therapeutic interest in diabetes research. CoMFA and CoMSIA studies were performed on C-aryl glucoside SGLT2 inhibitors (180 analogues) as potential anti-diabetic agents. Three different alignment strategies were used for the compounds. The best CoMFA and CoMSIA models were obtained by means of Distill rigid body alignment of training and test sets, and found statistically significant with cross-validated coefficients (q²) of 0.602 and 0.618, respectively, and conventional coefficients (r²) of 0.905 and 0.902, respectively. Both models were validated by a test set of 36 compounds giving satisfactory predicted correlation coefficients (r² pred) of 0.622 and 0.584 for CoMFA and CoMSIA models, respectively. A comparison was made with earlier 3D QSAR study on SGLT2 inhibitors, which shows that our 3D QSAR models are better than earlier models to predict good inhibitory activity. CoMFA and CoMSIA models generated in this work can provide useful information to design new compounds and helped in prediction of activity prior to synthesis.

A binary genetic programing model for teleconnection identification between global sea surface temperature and local maximum monthly rainfall events

NASA Astrophysics Data System (ADS)

Danandeh Mehr, Ali; Nourani, Vahid; Hrnjica, Bahrudin; Molajou, Amir

2017-12-01

The effectiveness of genetic programming (GP) for solving regression problems in hydrology has been recognized in recent studies. However, its capability to solve classification problems has not been sufficiently explored so far. This study develops and applies a novel classification-forecasting model, namely Binary GP (BGP), for teleconnection studies between sea surface temperature (SST) variations and maximum monthly rainfall (MMR) events. The BGP integrates certain types of data pre-processing and post-processing methods with conventional GP engine to enhance its ability to solve both regression and classification problems simultaneously. The model was trained and tested using SST series of Black Sea, Mediterranean Sea, and Red Sea as potential predictors as well as classified MMR events at two locations in Iran as predictand. Skill of the model was measured in regard to different rainfall thresholds and SST lags and compared to that of the hybrid decision tree-association rule (DTAR) model available in the literature. The results indicated that the proposed model can identify potential teleconnection signals of surrounding seas beneficial to long-term forecasting of the occurrence of the classified MMR events.

Possible evolution of a bouncing universe in cosmological models with non-minimally coupled scalar fields

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

Pozdeeva, Ekaterina O.; Vernov, Sergey Yu.; Skugoreva, Maria A.

2016-12-01

We explore dynamics of cosmological models with bounce solutions evolving on a spatially flat Friedmann-Lemaître-Robertson-Walker background. We consider cosmological models that contain the Hilbert-Einstein curvature term, the induced gravity term with a negative coupled constant, and even polynomial potentials of the scalar field. Bounce solutions with non-monotonic Hubble parameters have been obtained and analyzed. The case when the scalar field has the conformal coupling and the Higgs-like potential with an opposite sign is studied in detail. In this model the evolution of the Hubble parameter of the bounce solution essentially depends on the sign of the cosmological constant.

Simple theoretical models for composite rotor blades

NASA Technical Reports Server (NTRS)

Valisetty, R. R.; Rehfield, L. W.

1984-01-01

The development of theoretical rotor blade structural models for designs based upon composite construction is discussed. Care was exercised to include a member of nonclassical effects that previous experience indicated would be potentially important to account for. A model, representative of the size of a main rotor blade, is analyzed in order to assess the importance of various influences. The findings of this model study suggest that for the slenderness and closed cell construction considered, the refinements are of little importance and a classical type theory is adequate. The potential of elastic tailoring is dramatically demonstrated, so the generality of arbitrary ply layup in the cell wall is needed to exploit this opportunity.

Distribution of salmon-habitat potential relative to landscape characteristics and implications for conservation.

Treesearch

K.M. Burnett; G.H. Reeves; D.J. Miller; S. Clarke; K. Vance-Borland; K. Christiansen

2007-01-01

The geographic distribution of stream reaches with potential to support high-quality habitat for salmonids has bearing on the actual status of habitats and populations over broad spatial extents. As part of the Coastal Landscape Analysis and Modeling Study, we examined how salmon-habitat potential was distributed relative to current and future (+100 years) landscape...

Development and application of accurate analytical models for single active electron potentials

NASA Astrophysics Data System (ADS)

Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas

2015-05-01

The single active electron (SAE) approximation is a theoretical model frequently employed to study scenarios in which inner-shell electrons may productively be treated as frozen spectators to a physical process of interest, and accurate analytical approximations for these potentials are sought as a useful simulation tool. Density function theory is often used to construct a SAE potential, requiring that a further approximation for the exchange correlation functional be enacted. In this study, we employ the Krieger, Li, and Iafrate (KLI) modification to the optimized-effective-potential (OEP) method to reduce the complexity of the problem to the straightforward solution of a system of linear equations through simple arguments regarding the behavior of the exchange-correlation potential in regions where a single orbital dominates. We employ this method for the solution of atomic and molecular potentials, and use the resultant curve to devise a systematic construction for highly accurate and useful analytical approximations for several systems. Supported by the U.S. Department of Energy (Grant No. DE-FG02-09ER16103), and the U.S. National Science Foundation (Graduate Research Fellowship, Grants No. PHY-1125844 and No. PHY-1068706).

Human airway epithelial cell cultures for modeling respiratory syncytial virus infection.

PubMed

Pickles, Raymond J

2013-01-01

Respiratory syncytial virus (RSV) is an important human respiratory pathogen with narrow species tropism. Limited availability of human pathologic specimens during early RSV-induced lung disease and ethical restrictions for RSV challenge studies in the lower airways of human volunteers has slowed our understanding of how RSV causes airway disease and greatly limited the development of therapeutic strategies for reducing RSV disease burden. Our current knowledge of RSV infection and pathology is largely based on in vitro studies using nonpolarized epithelial cell-lines grown on plastic or in vivo studies using animal models semipermissive for RSV infection. Although these models have revealed important aspects of RSV infection, replication, and associated inflammatory responses, these models do not broadly recapitulate the early interactions and potential consequences of RSV infection of the human columnar airway epithelium in vivo. In this chapter, the pro et contra of in vitro models of human columnar airway epithelium and their usefulness in respiratory virus pathogenesis and vaccine development studies will be discussed. The use of such culture models to predict characteristics of RSV infection and the correlation of these findings to the human in vivo situation will likely accelerate our understanding of RSV pathogenesis potentially identifying novel strategies for limiting the severity of RSV-associated airway disease.

Cogeneration computer model assessment: Advanced cogeneration research study

NASA Technical Reports Server (NTRS)

Rosenberg, L.

1983-01-01

Cogeneration computer simulation models to recommend the most desirable models or their components for use by the Southern California Edison Company (SCE) in evaluating potential cogeneration projects was assessed. Existing cogeneration modeling capabilities are described, preferred models are identified, and an approach to the development of a code which will best satisfy SCE requirements is recommended. Five models (CELCAP, COGEN 2, CPA, DEUS, and OASIS) are recommended for further consideration.

Simulating sunflower canopy temperatures to infer root-zone soil water potential

NASA Technical Reports Server (NTRS)

Choudhury, B. J.; Idso, S. B.

1983-01-01

A soil-plant-atmosphere model for sunflower (Helianthus annuus L.), together with clear sky weather data for several days, is used to study the relationship between canopy temperature and root-zone soil water potential. Considering the empirical dependence of stomatal resistance on insolation, air temperature and leaf water potential, a continuity equation for water flux in the soil-plant-atmosphere system is solved for the leaf water potential. The transpirational flux is calculated using Monteith's combination equation, while the canopy temperature is calculated from the energy balance equation. The simulation shows that, at high soil water potentials, canopy temperature is determined primarily by air and dew point temperatures. These results agree with an empirically derived linear regression equation relating canopy-air temperature differential to air vapor pressure deficit. The model predictions of leaf water potential are also in agreement with observations, indicating that measurements of canopy temperature together with a knowledge of air and dew point temperatures can provide a reliable estimate of the root-zone soil water potential.

Novel nonlinear knowledge-based mean force potentials based on machine learning.

PubMed

Dong, Qiwen; Zhou, Shuigeng

2011-01-01

The prediction of 3D structures of proteins from amino acid sequences is one of the most challenging problems in molecular biology. An essential task for solving this problem with coarse-grained models is to deduce effective interaction potentials. The development and evaluation of new energy functions is critical to accurately modeling the properties of biological macromolecules. Knowledge-based mean force potentials are derived from statistical analysis of proteins of known structures. Current knowledge-based potentials are almost in the form of weighted linear sum of interaction pairs. In this study, a class of novel nonlinear knowledge-based mean force potentials is presented. The potential parameters are obtained by nonlinear classifiers, instead of relative frequencies of interaction pairs against a reference state or linear classifiers. The support vector machine is used to derive the potential parameters on data sets that contain both native structures and decoy structures. Five knowledge-based mean force Boltzmann-based or linear potentials are introduced and their corresponding nonlinear potentials are implemented. They are the DIH potential (single-body residue-level Boltzmann-based potential), the DFIRE-SCM potential (two-body residue-level Boltzmann-based potential), the FS potential (two-body atom-level Boltzmann-based potential), the HR potential (two-body residue-level linear potential), and the T32S3 potential (two-body atom-level linear potential). Experiments are performed on well-established decoy sets, including the LKF data set, the CASP7 data set, and the Decoys “R”Us data set. The evaluation metrics include the energy Z score and the ability of each potential to discriminate native structures from a set of decoy structures. Experimental results show that all nonlinear potentials significantly outperform the corresponding Boltzmann-based or linear potentials, and the proposed discriminative framework is effective in developing knowledge-based mean force potentials. The nonlinear potentials can be widely used for ab initio protein structure prediction, model quality assessment, protein docking, and other challenging problems in computational biology.

Model evaluation of the phytoextraction potential of heavy metal hyperaccumulators and non-hyperaccumulators.

PubMed

Liang, Hong-Ming; Lin, Ting-Hsiang; Chiou, Jeng-Min; Yeh, Kuo-Chen

2009-06-01

Evaluation of the remediation ability of zinc/cadmium in hyper- and non-hyperaccumulator plant species through greenhouse studies is limited. To bridge the gap between greenhouse studies and field applications for phytoextraction, we used published data to examine the partitioning of heavy metals between plants and soil (defined as the bioconcentration factor). We compared the remediation ability of the Zn/Cd hyperaccumulators Thlaspi caerulescens and Arabidopsis halleri and the non-hyperaccumulators Nicotiana tabacum and Brassica juncea using a hierarchical linear model (HLM). A recursive algorithm was then used to evaluate how many harvest cycles were required to clean a contaminated site to meet Taiwan Environmental Protection Agency regulations. Despite the high bioconcentration factor of both hyperaccumulators, metal removal was still limited because of the plants' small biomass. Simulation with N. tabacum and the Cadmium model suggests further study and development of plants with high biomass and improved phytoextraction potential for use in environmental cleanup.

Aging models of acute seizures and epilepsy.

PubMed

Kelly, Kevin M

2010-01-01

Aged animals have been used by researchers to better understand the differences between the young and the aged brain and how these differences may provide insight into the mechanisms of acute seizures and epilepsy in the elderly. To date, there have been relatively few studies dedicated to the modeling of acute seizures and epilepsy in aged, healthy animals. Inherent challenges to this area of research include the costs associated with the purchase and maintenance of older animals and, at times, the unexpected and potentially confounding comorbidities associated with aging. However, recent studies using a variety of in vivo and in vitro models of acute seizures and epilepsy in mice and rats have built upon early investigations in the field, all of which has provided an expanded vision of seizure generation and epileptogenesis in the aged brain. Results of these studies could potentially translate to new and tailored interventional approaches that limit or prevent the development of epilepsy in the elderly.

Contact tracing of tuberculosis: a systematic review of transmission modelling studies.

PubMed

Begun, Matt; Newall, Anthony T; Marks, Guy B; Wood, James G

2013-01-01

The WHO recommended intervention of Directly Observed Treatment, Short-course (DOTS) appears to have been less successful than expected in reducing the burden of TB in some high prevalence settings. One strategy for enhancing DOTS is incorporating active case-finding through screening contacts of TB patients as widely used in low-prevalence settings. Predictive models that incorporate population-level effects on transmission provide one means of predicting impacts of such interventions. We aim to identify all TB transmission modelling studies addressing contact tracing and to describe and critically assess their modelling assumptions, parameter choices and relevance to policy. We searched MEDLINE, SCOPUS, COMPENDEX, Google Scholar and Web of Science databases for relevant English language publications up to February 2012. Of the 1285 studies identified, only 5 studies met our inclusion criteria of models of TB transmission dynamics in human populations designed to incorporate contact tracing as an intervention. Detailed implementation of contact processes was only present in two studies, while only one study presented a model for a high prevalence, developing world setting. Some use of relevant data for parameter estimation was made in each study however validation of the predicted impact of interventions was not attempted in any of the studies. Despite a large body of literature on TB transmission modelling, few published studies incorporate contact tracing. There is considerable scope for future analyses to make better use of data and to apply individual based models to facilitate more realistic patterns of infectious contact. Combined with a focus on high burden settings this would greatly increase the potential for models to inform the use of contract tracing as a TB control policy. Our findings highlight the potential for collaborative work between clinicians, epidemiologists and modellers to gather data required to enhance model development and validation and hence better inform future public health policy.

Contact Tracing of Tuberculosis: A Systematic Review of Transmission Modelling Studies

PubMed Central

Begun, Matt; Newall, Anthony T.; Marks, Guy B.; Wood, James G.

2013-01-01

The WHO recommended intervention of Directly Observed Treatment, Short-course (DOTS) appears to have been less successful than expected in reducing the burden of TB in some high prevalence settings. One strategy for enhancing DOTS is incorporating active case-finding through screening contacts of TB patients as widely used in low-prevalence settings. Predictive models that incorporate population-level effects on transmission provide one means of predicting impacts of such interventions. We aim to identify all TB transmission modelling studies addressing contact tracing and to describe and critically assess their modelling assumptions, parameter choices and relevance to policy. We searched MEDLINE, SCOPUS, COMPENDEX, Google Scholar and Web of Science databases for relevant English language publications up to February 2012. Of the 1285 studies identified, only 5 studies met our inclusion criteria of models of TB transmission dynamics in human populations designed to incorporate contact tracing as an intervention. Detailed implementation of contact processes was only present in two studies, while only one study presented a model for a high prevalence, developing world setting. Some use of relevant data for parameter estimation was made in each study however validation of the predicted impact of interventions was not attempted in any of the studies. Despite a large body of literature on TB transmission modelling, few published studies incorporate contact tracing. There is considerable scope for future analyses to make better use of data and to apply individual based models to facilitate more realistic patterns of infectious contact. Combined with a focus on high burden settings this would greatly increase the potential for models to inform the use of contract tracing as a TB control policy. Our findings highlight the potential for collaborative work between clinicians, epidemiologists and modellers to gather data required to enhance model development and validation and hence better inform future public health policy. PMID:24023742

Study protocol: combining experimental methods, econometrics and simulation modelling to determine price elasticities for studying food taxes and subsidies (The Price ExaM Study).

PubMed

Waterlander, Wilma E; Blakely, Tony; Nghiem, Nhung; Cleghorn, Christine L; Eyles, Helen; Genc, Murat; Wilson, Nick; Jiang, Yannan; Swinburn, Boyd; Jacobi, Liana; Michie, Jo; Ni Mhurchu, Cliona

2016-07-19

There is a need for accurate and precise food price elasticities (PE, change in consumer demand in response to change in price) to better inform policy on health-related food taxes and subsidies. The Price Experiment and Modelling (Price ExaM) study aims to: I) derive accurate and precise food PE values; II) quantify the impact of price changes on quantity and quality of discrete food group purchases and; III) model the potential health and disease impacts of a range of food taxes and subsidies. To achieve this, we will use a novel method that includes a randomised Virtual Supermarket experiment and econometric methods. Findings will be applied in simulation models to estimate population health impact (quality-adjusted life-years [QALYs]) using a multi-state life-table model. The study will consist of four sequential steps: 1. We generate 5000 price sets with random price variation for all 1412 Virtual Supermarket food and beverage products. Then we add systematic price variation for foods to simulate five taxes and subsidies: a fruit and vegetable subsidy and taxes on sugar, saturated fat, salt, and sugar-sweetened beverages. 2. Using an experimental design, 1000 adult New Zealand shoppers complete five household grocery shops in the Virtual Supermarket where they are randomly assigned to one of the 5000 price sets each time. 3. Output data (i.e., multiple observations of price configurations and purchased amounts) are used as inputs to econometric models (using Bayesian methods) to estimate accurate PE values. 4. A disease simulation model will be run with the new PE values as inputs to estimate QALYs gained and health costs saved for the five policy interventions. The Price ExaM study has the potential to enhance public health and economic disciplines by introducing internationally novel scientific methods to estimate accurate and precise food PE values. These values will be used to model the potential health and disease impacts of various food pricing policy options. Findings will inform policy on health-related food taxes and subsidies. Australian New Zealand Clinical Trials Registry ACTRN12616000122459 (registered 3 February 2016).

COMMUNICATION IMPACT, A CONCEPTUAL MODEL ANALYSIS OF INDIVIDUAL PREDISPOSITIONS AND THE ANALYSIS OF THE IMPACT OF A COUNTY CIVIL DEFENSE EDUCATIONAL PROGRAM.

ERIC Educational Resources Information Center

BEAL, GEORGE M.; AND OTHERS

THIS STUDY DEALS WITH COMMUNICATION AT THREE LEVELS--DEVELOPMENT OF A GENERALIZED MODEL OF THE PROCESS WHEREBY COMMUNICATION ACHIEVES IMPACT, THE OPERATIONALIZATION OF THE MODEL, AND TESTING OF THE DEGREE TO WHICH THE MODEL PREDICTS THE RESPONSE OF MEMBERS OF THE POTENTIAL AUDIENCE TO A SPECIFIC COMMUNICATION EVENT. THIS IMPACT MODEL TAKES THE…

Modeling of stochastic motion of bacteria propelled spherical microbeads

NASA Astrophysics Data System (ADS)

Arabagi, Veaceslav; Behkam, Bahareh; Cheung, Eugene; Sitti, Metin

2011-06-01

This work proposes a stochastic dynamic model of bacteria propelled spherical microbeads as potential swimming microrobotic bodies. Small numbers of S. marcescens bacteria are attached with their bodies to surfaces of spherical microbeads. Average-behavior stochastic models that are normally adopted when studying such biological systems are generally not effective for cases in which a small number of agents are interacting in a complex manner, hence a stochastic model is proposed to simulate the behavior of 8-41 bacteria assembled on a curved surface. Flexibility of the flagellar hook is studied via comparing simulated and experimental results for scenarios of increasing bead size and the number of attached bacteria on a bead. Although requiring more experimental data to yield an exact, certain flagellar hook stiffness value, the examined results favor a stiffer flagella. The stochastic model is intended to be used as a design and simulation tool for future potential targeted drug delivery and disease diagnosis applications of bacteria propelled microrobots.

A trap potential model investigation of the optical activity induced in dye-DNA intercalation complexes

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1988-02-01

The fundamental features of the optical activity induced in dye-DNA intercalation complexes are studied by application of the trap potential model which is useful to evaluate the induced rotational strength without reference to detailed geometrical information about the intercalation complexes. The specific effect of the potential depth upon the induced optical activity is explained in terms of the relative magnitudes of the wave-phase and helix-phase variations in the path of an electron moving on a restricted helical segment just like an exciton trapped around the dye intercalation site. The parallel and perpendicular components of the induced rotational strength well reflect basic properties of the helicity effects about the longitudinal and tangential axes of the DNA helical cylinder. The trap potential model is applied to optimize the potential parameters so as to reproduce the ionic strength effect upon the optical activity induced to proflavine-DNA intercalation complexes. From relationships between the optimized potential parameters and ionic strengths, it is inferred that increase in the ionic strength contributes to the optical activity induced by the nearest-neighbour interaction between intercalated proflavine and DNA base pairs.

Assessing the Risk of Invasion by Tephritid Fruit Flies: Intraspecific Divergence Matters

PubMed Central

Godefroid, Martin; Cruaud, Astrid; Rossi, Jean-Pierre; Rasplus, Jean-Yves

2015-01-01

Widely distributed species often show strong phylogeographic structure, with lineages potentially adapted to different biotic and abiotic conditions. The success of an invasion process may thus depend on the intraspecific identity of the introduced propagules. However, pest risk analyses are usually performed without accounting for intraspecific diversity. In this study, we developed bioclimatic models using MaxEnt and boosted regression trees approaches, to predict the potential distribution in Europe of six economically important Tephritid pests (Ceratitis fasciventris (Bezzi), Bactrocera oleae (Rossi), Anastrepha obliqua (Macquart), Anastrepha fraterculus (Wiedemann), Rhagoletis pomonella (Walsh) and Bactrocera cucurbitae (Coquillet)). We considered intraspecific diversity in our risk analyses by independently modeling the distributions of conspecific lineages. The six species displayed different potential distributions in Europe. A strong signal of intraspecific climate envelope divergence was observed in most species. In some cases, conspecific lineages differed strongly in potential distributions suggesting that taxonomic resolution should be accounted for in pest risk analyses. No models (lineage- and species-based approaches) predicted high climatic suitability in the entire invaded range of B. oleae—the only species whose intraspecific identity of invading populations has been elucidated—in California. Host availability appears to play the most important role in shaping the geographic range of this specialist pest. However, climatic suitability values predicted by species-based models are correlated with population densities of B. oleae globally reported in California. Our study highlights how classical taxonomic boundaries may lead to under- or overestimation of the potential pest distributions and encourages accounting for intraspecific diversity when assessing the risk of biological invasion. PMID:26274582

Unjamming in models with analytic pairwise potentials

NASA Astrophysics Data System (ADS)

Kooij, Stefan; Lerner, Edan

2017-06-01

Canonical models for studying the unjamming scenario in systems of soft repulsive particles assume pairwise potentials with a sharp cutoff in the interaction range. The sharp cutoff renders the potential nonanalytic but makes it possible to describe many properties of the solid in terms of the coordination number z , which has an unambiguous definition in these cases. Pairwise potentials without a sharp cutoff in the interaction range have not been studied in this context, but should in fact be considered to understand the relevance of the unjamming phenomenology in systems where such a cutoff is not present. In this work we explore two systems with such interactions: an inverse power law and an exponentially decaying pairwise potential, with the control parameters being the exponent (of the inverse power law) for the former and the number density for the latter. Both systems are shown to exhibit the characteristic features of the unjamming transition, among which are the vanishing of the shear-to-bulk modulus ratio and the emergence of an excess of low-frequency vibrational modes. We establish a relation between the pressure-to-bulk modulus ratio and the distance to unjamming in each of our model systems. This allows us to predict the dependence of other key observables on the distance to unjamming. Our results provide the means for a quantitative estimation of the proximity of generic glass-forming models to the unjamming transition in the absence of a clear-cut definition of the coordination number and highlight the general irrelevance of nonaffine contributions to the bulk modulus.

Unjamming in models with analytic pairwise potentials.

PubMed

Kooij, Stefan; Lerner, Edan

2017-06-01

Canonical models for studying the unjamming scenario in systems of soft repulsive particles assume pairwise potentials with a sharp cutoff in the interaction range. The sharp cutoff renders the potential nonanalytic but makes it possible to describe many properties of the solid in terms of the coordination number z, which has an unambiguous definition in these cases. Pairwise potentials without a sharp cutoff in the interaction range have not been studied in this context, but should in fact be considered to understand the relevance of the unjamming phenomenology in systems where such a cutoff is not present. In this work we explore two systems with such interactions: an inverse power law and an exponentially decaying pairwise potential, with the control parameters being the exponent (of the inverse power law) for the former and the number density for the latter. Both systems are shown to exhibit the characteristic features of the unjamming transition, among which are the vanishing of the shear-to-bulk modulus ratio and the emergence of an excess of low-frequency vibrational modes. We establish a relation between the pressure-to-bulk modulus ratio and the distance to unjamming in each of our model systems. This allows us to predict the dependence of other key observables on the distance to unjamming. Our results provide the means for a quantitative estimation of the proximity of generic glass-forming models to the unjamming transition in the absence of a clear-cut definition of the coordination number and highlight the general irrelevance of nonaffine contributions to the bulk modulus.

Ciona as a Simple Chordate Model for Heart Development and Regeneration

PubMed Central

Evans Anderson, Heather; Christiaen, Lionel

2016-01-01

Cardiac cell specification and the genetic determinants that govern this process are highly conserved among Chordates. Recent studies have established the importance of evolutionarily-conserved mechanisms in the study of congenital heart defects and disease, as well as cardiac regeneration. As a basal Chordate, the Ciona model system presents a simple scaffold that recapitulates the basic blueprint of cardiac development in Chordates. Here we will focus on the development and cellular structure of the heart of the ascidian Ciona as compared to other Chordates, principally vertebrates. Comparison of the Ciona model system to heart development in other Chordates presents great potential for dissecting the genetic mechanisms that underlie congenital heart defects and disease at the cellular level and might provide additional insight into potential pathways for therapeutic cardiac regeneration. PMID:27642586

Searching for Majorana Neutrinos in the Like-Sign Dilepton Final State

NASA Astrophysics Data System (ADS)

Clarida, Warren

2010-02-01

The Standard Model can be extended to include massive neutrinos as observed in the recent oscillation experiments. Perhaps the most commonly studied model is the type-I seesaw mechanism. This model introduces a new neutrino with a Majorana nature with an unknown mass. In this study we present the potential for the discovery of a Majorana neutrino during the first year of data collection from the Large Hadron Collider. In the analysis we used muon triggers, muon isolation, jet energy corrections, b-tagging, and an examination of the combinatorial background. We conclude that the discovery potential can be reached in the first year of running at the LHC at 10 TeV startup collision energy with the CMS detector for the Majorana neutrino mass range near 100 GeV. )

Solid rocket exhaust in the stratosphere: Plume diffusion and chemical reactions

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

Denison, M.R.; Lamb, J.J.; Bjorndahl, W.D.

1994-05-01

A model has been developed to examine, on a local scale, the reactions of rocket exhaust from solid rocket motors with stratospheric ozone. The effects were examined at two different altitudes. Results of the modeling study indicate that afterburning chemistry of reactive exhaust products can cause local but transient (on the order of several minutes) loss of ozone. The modeling study included potential heterogeneous reactions at aluminum oxide surfaces. Results indicate that these potential heterogeneous reactions do not have a major impact on the local plume chemistry. Homogeneous reactions appear to be of more consequence during the early dispersion ofmore » the plume. It has also been found that the rate of plume dispersion has a very significant effect on local ozone loss.« less

Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

PubMed

Ni, Boris; Baumketner, Andrij

2013-02-14

Increasingly, theoretical studies of proteins focus on large systems. This trend demands the development of computational models that are fast, to overcome the growing complexity, and accurate, to capture the physically relevant features. To address this demand, we introduce a protein model that uses all-atom architecture to ensure the highest level of chemical detail while employing effective pair potentials to represent the effect of solvent to achieve the maximum speed. The effective potentials are derived for amino acid residues based on the condition that the solvent-free model matches the relevant pair-distribution functions observed in explicit solvent simulations. As a test, the model is applied to alanine polypeptides. For the chain with 10 amino acid residues, the model is found to reproduce properly the native state and its population. Small discrepancies are observed for other folding properties and can be attributed to the approximations inherent in the model. The transferability of the generated effective potentials is investigated in simulations of a longer peptide with 25 residues. A minimal set of potentials is identified that leads to qualitatively correct results in comparison with the explicit solvent simulations. Further tests, conducted for multiple peptide chains, show that the transferable model correctly reproduces the experimentally observed tendency of polyalanines to aggregate into β-sheets more strongly with the growing length of the peptide chain. Taken together, the reported results suggest that the proposed model could be used to succesfully simulate folding and aggregation of small peptides in atomic detail. Further tests are needed to assess the strengths and limitations of the model more thoroughly.

Water quality assessment and apportionment of pollution sources using APCS-MLR and PMF receptor modeling techniques in three major rivers of South Florida.

PubMed

Haji Gholizadeh, Mohammad; Melesse, Assefa M; Reddi, Lakshmi

2016-10-01

In this study, principal component analysis (PCA), factor analysis (FA), and the absolute principal component score-multiple linear regression (APCS-MLR) receptor modeling technique were used to assess the water quality and identify and quantify the potential pollution sources affecting the water quality of three major rivers of South Florida. For this purpose, 15years (2000-2014) dataset of 12 water quality variables covering 16 monitoring stations, and approximately 35,000 observations was used. The PCA/FA method identified five and four potential pollution sources in wet and dry seasons, respectively, and the effective mechanisms, rules and causes were explained. The APCS-MLR apportioned their contributions to each water quality variable. Results showed that the point source pollution discharges from anthropogenic factors due to the discharge of agriculture waste and domestic and industrial wastewater were the major sources of river water contamination. Also, the studied variables were categorized into three groups of nutrients (total kjeldahl nitrogen, total phosphorus, total phosphate, and ammonia-N), water murkiness conducive parameters (total suspended solids, turbidity, and chlorophyll-a), and salt ions (magnesium, chloride, and sodium), and average contributions of different potential pollution sources to these categories were considered separately. The data matrix was also subjected to PMF receptor model using the EPA PMF-5.0 program and the two-way model described was performed for the PMF analyses. Comparison of the obtained results of PMF and APCS-MLR models showed that there were some significant differences in estimated contribution for each potential pollution source, especially in the wet season. Eventually, it was concluded that the APCS-MLR receptor modeling approach appears to be more physically plausible for the current study. It is believed that the results of apportionment could be very useful to the local authorities for the control and management of pollution and better protection of important riverine water quality. Copyright © 2016 Elsevier B.V. All rights reserved.

Pathological Buying Online as a Specific Form of Internet Addiction: A Model-Based Experimental Investigation.

PubMed

Trotzke, Patrick; Starcke, Katrin; Müller, Astrid; Brand, Matthias

2015-01-01

The study aimed to investigate different factors of vulnerability for pathological buying in the online context and to determine whether online pathological buying has parallels to a specific Internet addiction. According to a model of specific Internet addiction by Brand and colleagues, potential vulnerability factors may consist of a predisposing excitability from shopping and as mediating variable, specific Internet use expectancies. Additionally, in line with models on addiction behavior, cue-induced craving should also constitute an important factor for online pathological buying. The theoretical model was tested in this study by investigating 240 female participants with a cue-reactivity paradigm, which was composed of online shopping pictures, to assess excitability from shopping. Craving (before and after the cue-reactivity paradigm) and online shopping expectancies were measured. The tendency for pathological buying and online pathological buying were screened with the Compulsive Buying Scale (CBS) and the Short Internet Addiction Test modified for shopping (s-IATshopping). The results demonstrated that the relationship between individual's excitability from shopping and online pathological buying tendency was partially mediated by specific Internet use expectancies for online shopping (model's R² = .742, p < .001). Furthermore, craving and online pathological buying tendencies were correlated (r = .556, p < .001), and an increase in craving after the cue presentation was observed solely in individuals scoring high for online pathological buying (t(28) = 2.98, p < .01, d = 0.44). Both screening instruments were correlated (r = .517, p < .001), and diagnostic concordances as well as divergences were indicated by applying the proposed cut-off criteria. In line with the model for specific Internet addiction, the study identified potential vulnerability factors for online pathological buying and suggests potential parallels. The presence of craving in individuals with a propensity for online pathological buying emphasizes that this behavior merits potential consideration within the non-substance/behavioral addictions.

T-R Cycle Characterization and Imaging: Advanced Diagnostic Methodology for Petroleum Reservoir and Trap Detection and Delineation

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

Ernest A. Mancini

Characterization of stratigraphic sequences (T-R cycles or sequences) included outcrop studies, well log analysis and seismic reflection interpretation. These studies were performed by researchers at the University of Alabama, Wichita State University and McGill University. The outcrop, well log and seismic characterization studies were used to develop a depositional sequence model, a T-R cycle (sequence) model, and a sequence stratigraphy predictive model. The sequence stratigraphy predictive model developed in this study is based primarily on the modified T-R cycle (sequence) model. The T-R cycle (sequence) model using transgressive and regressive systems tracts and aggrading, backstepping, and infilling intervals or sectionsmore » was found to be the most appropriate sequence stratigraphy model for the strata in the onshore interior salt basins of the Gulf of Mexico to improve petroleum stratigraphic trap and specific reservoir facies imaging, detection and delineation. The known petroleum reservoirs of the Mississippi Interior and North Louisiana Salt Basins were classified using T-R cycle (sequence) terminology. The transgressive backstepping reservoirs have been the most productive of oil, and the transgressive backstepping and regressive infilling reservoirs have been the most productive of gas. Exploration strategies were formulated using the sequence stratigraphy predictive model and the classification of the known petroleum reservoirs utilizing T-R cycle (sequence) terminology. The well log signatures and seismic reflector patterns were determined to be distinctive for the aggrading, backstepping and infilling sections of the T-R cycle (sequence) and as such, well log and seismic data are useful for recognizing and defining potential reservoir facies. The use of the sequence stratigraphy predictive model, in combination with the knowledge of how the distinctive characteristics of the T-R system tracts and their subdivisions are expressed in well log patterns and seismic reflection configurations and terminations, improves the ability to identify and define the limits of potential stratigraphic traps and the stratigraphic component of combination stratigraphic and structural traps and the associated continental, coastal plain and marine potential reservoir facies. The assessment of the underdeveloped and undiscovered reservoirs and resources in the Mississippi Interior and North Louisiana Salt Basins resulted in the confirmation of the Monroe Uplift as a feature characterized by a major regional unconformity, which serves as a combination stratigraphic and structural trap with a significant stratigraphic component, and the characterization of a developing play in southwest Alabama, which involves a stratigraphic trap, located updip near the pinchout of the potential reservoir facies. Potential undiscovered and underdeveloped reservoirs in the onshore interior salt basins are identified as Jurassic and Cretaceous aggrading continental and coastal, backstepping nearshore marine and marine shelf, and infilling fluvial, deltaic, coastal plain and marine shelf.« less

Simulation of action potentials from metabolically impaired cardiac myocytes. Role of ATP-sensitive K+ current.

PubMed

Ferrero, J M; Sáiz, J; Ferrero, J M; Thakor, N V

1996-08-01

The role of the ATP-sensitive K+ current (IK-ATP) and its contribution to electrophysiological changes that occur during metabolic impairment in cardiac ventricular myocytes is still being discussed. The aim of this work was to quantitatively study this issue by using computer modeling. A model of IK-ATP is formulated and incorporated into the Luo-Rudy ionic model of the ventricular action potential. Action potentials under different degrees of activation of IK-ATP are simulated. Our results show that in normal ionic concentrations, only approximately 0.6% of the KATP channels, when open, should account for a 50% reduction in action potential duration. However, increased levels of intracellular Mg2+ counteract this shortening. Under conditions of high [K+]0, such as those found in early ischemia, the activation of only approximately 0.4% of the KATP channels could account for a 50% reduction in action potential duration. Thus, our results suggest that opening of IK-ATP channels should play a significant role in action potential shortening during hypoxic/ischemic episodes, with the fraction of open channels involved being very low ( < 1%). However, the results of the model suggest that activation of IK-ATP alone does not quantitatively account for the observed K+ efflux in metabolically impaired cardiac myocytes. Mechanisms other than KATP channel activation should be responsible for a significant part of the K+ efflux measured in hypoxic/ischemic situations.

Global Potential for Hydro-generated Electricity and Climate Change Impact

NASA Astrophysics Data System (ADS)

Zhou, Y.; Hejazi, M. I.; Leon, C.; Calvin, K. V.; Thomson, A. M.; Li, H. Y.

2014-12-01

Hydropower is a dominant renewable energy source at the global level, accounting for more than 15% of the world's total power supply. It is also very vulnerable to climate change. Improved understanding of climate change impact on hydropower can help develop adaptation measures to increase the resilience of energy system. In this study, we developed a comprehensive estimate of global hydropower potential using runoff and stream flow data derived from a global hydrologic model with a river routing sub-model, along with turbine technology performance, cost assumptions, and environmental consideration (Figure 1). We find that hydropower has the potential to supply a significant portion of the world energy needs, although this potential varies substantially by regions. Resources in a number of countries exceed by multiple folds the total current demand for electricity, e.g., Russia and Indonesia. A sensitivity analysis indicates that hydropower potential can be highly sensitive to a number of parameters including designed flow for capacity, cost and financing, turbine efficiency, and stream flow. The climate change impact on hydropower potential was evaluated by using runoff outputs from 4 climate models (HadCM3, PCM, CGCM2, and CSIRO2). It was found that the climate change on hydropower shows large variation not only by regions, but also climate models, and this demonstrates the importance of incorporating climate change into infrastructure-planning at the regional level though the existing uncertainties.

Computational studies of novel chymase inhibitors against cardiovascular and allergic diseases: mechanism and inhibition.

PubMed

Arooj, Mahreen; Thangapandian, Sundarapandian; John, Shalini; Hwang, Swan; Park, Jong K; Lee, Keun W

2012-12-01

To provide a new idea for drug design, a computational investigation is performed on chymase and its novel 1,4-diazepane-2,5-diones inhibitors that explores the crucial molecular features contributing to binding specificity. Molecular docking studies of inhibitors within the active site of chymase were carried out to rationalize the inhibitory properties of these compounds and understand their inhibition mechanism. The density functional theory method was used to optimize molecular structures with the subsequent analysis of highest occupied molecular orbital, lowest unoccupied molecular orbital, and molecular electrostatic potential maps, which revealed that negative potentials near 1,4-diazepane-2,5-diones ring are essential for effective binding of inhibitors at active site of enzyme. The Bayesian model with receiver operating curve statistic of 0.82 also identified arylsulfonyl and aminocarbonyl as the molecular features favoring and not favoring inhibition of chymase, respectively. Moreover, genetic function approximation was applied to construct 3D quantitative structure-activity relationships models. Two models (genetic function approximation model 1 r(2) = 0.812 and genetic function approximation model 2 r(2) = 0.783) performed better in terms of correlation coefficients and cross-validation analysis. In general, this study is used as example to illustrate how combinational use of 2D/3D quantitative structure-activity relationships modeling techniques, molecular docking, frontier molecular orbital density fields (highest occupied molecular orbital and lowest unoccupied molecular orbital), and molecular electrostatic potential analysis may be useful to gain an insight into the binding mechanism between enzyme and its inhibitors. © 2012 John Wiley & Sons A/S.

Drug and alcohol treatment providers' views about the disease model of addiction and its impact on clinical practice: A systematic review.

PubMed

Barnett, Anthony I; Hall, Wayne; Fry, Craig L; Dilkes-Frayne, Ella; Carter, Adrian

2017-12-14

Addiction treatment providers' views about the disease model of addiction (DMA), and their contemporary views about the brain disease model of addiction (BDMA), remain an understudied area. We systematically reviewed treatment providers' attitudes about the DMA/BDMA, examined factors associated with positive or negative attitudes and assessed their views on the potential clinical impact of both models. Pubmed, EMBASE, PsycINFO, CINAHL Plus and Sociological Abstracts were systematically searched. Original papers on treatment providers' views about the DMA/BDMA and its clinical impact were included. Studies focussing on tobacco, behavioural addictions or non-Western populations were excluded. The 34 included studies were predominantly quantitative and conducted in the USA. Among mixed findings of treatment providers' support for the DMA, strong validity studies indicated treatment providers supported the disease concept and moral, free-will or social models simultaneously. Support for the DMA was positively associated with treatment providers' age, year of qualification, certification status, religious beliefs, being in recovery and Alcoholics Anonymous attendance. Greater education was negatively associated with DMA support. Treatment providers identified potential positive (e.g. reduced stigma) and negative (e.g. increased sense of helplessness) impacts of the DMA on client behaviour. The review suggests treatment providers may endorse disease and other models while strategically deploying the DMA for presumed therapeutic benefits. Varying DMA support across workforces indicated service users may experience multiple and potentially contradictory explanations of addiction. Future policy development will benefit by considering how treatment providers adopt disease concepts in practice. © 2017 Australasian Professional Society on Alcohol and other Drugs.

Parametric models of reflectance spectra for dyed fabrics

NASA Astrophysics Data System (ADS)

Aiken, Daniel C.; Ramsey, Scott; Mayo, Troy; Lambrakos, Samuel G.; Peak, Joseph

2016-05-01

This study examines parametric modeling of NIR reflectivity spectra for dyed fabrics, which provides for both their inverse and direct modeling. The dye considered for prototype analysis is triarylamine dye. The fabrics considered are camouflage textiles characterized by color variations. The results of this study provide validation of the constructed parametric models, within reasonable error tolerances for practical applications, including NIR spectral characteristics in camouflage textiles, for purposes of simulating NIR spectra corresponding to various dye concentrations in host fabrics, and potentially to mixtures of dyes.

[Representation and mathematical analysis of human crystalline lens].

PubMed

Tălu, Stefan; Giovanzana, Stefano; Tălu, Mihai

2011-01-01

The surface of human crystalline lens can be described and analyzed using mathematical models based on parametric representations, used in biomechanical studies and 3D solid modeling of the lens. The mathematical models used in lens biomechanics allow the study and the behavior of crystalline lens on variables and complex dynamic loads. Also, the lens biomechanics has the potential to improve the results in the development of intraocular lenses and cataract surgery. The paper presents the most representative mathematical models currently used for the modeling of human crystalline lens, both optically and biomechanically.

Geographic risk modeling of childhood cancer relative to county-level crops, hazardous air pollutants and population density characteristics in Texas.

PubMed

Thompson, James A; Carozza, Susan E; Zhu, Li

2008-09-25

Childhood cancer has been linked to a variety of environmental factors, including agricultural activities, industrial pollutants and population mixing, but etiologic studies have often been inconclusive or inconsistent when considering specific cancer types. More specific exposure assessments are needed. It would be helpful to optimize future studies to incorporate knowledge of high-risk locations or geographic risk patterns. The objective of this study was to evaluate potential geographic risk patterns in Texas accounting for the possibility that multiple cancers may have similar geographic risks patterns. A spatio-temporal risk modeling approach was used, whereby 19 childhood cancer types were modeled as potentially correlated within county-years. The standard morbidity ratios were modeled as functions of intensive crop production, intensive release of hazardous air pollutants, population density, and rapid population growth. There was supportive evidence for elevated risks for germ cell tumors and "other" gliomas in areas of intense cropping and for hepatic tumors in areas of intense release of hazardous air pollutants. The risk for Hodgkin lymphoma appeared to be reduced in areas of rapidly growing population. Elevated spatial risks included four cancer histotypes, "other" leukemias, Central Nervous System (CNS) embryonal tumors, CNS other gliomas and hepatic tumors with greater than 95% likelihood of elevated risks in at least one county. The Bayesian implementation of the Multivariate Conditional Autoregressive model provided a flexible approach to the spatial modeling of multiple childhood cancer histotypes. The current study identified geographic factors supporting more focused studies of germ cell tumors and "other" gliomas in areas of intense cropping, hepatic cancer near Hazardous Air Pollutant (HAP) release facilities and specific locations with increased risks for CNS embryonal tumors and for "other" leukemias. Further study should be performed to evaluate potentially lower risk for Hodgkin lymphoma and malignant bone tumors in counties with rapidly growing population.

A Rabbit Model for Assessment of Volatile Metabolite Changes Observed from Skin: a Pressure Ulcer Case Study

PubMed Central

Schivo, Michael; Aksenov, Alexander A; Pasamontes, Alberto; Cumeras, Raquel; Weisker, Sandra; Oberbauer, Anita M; Davis, Cristina E

2017-01-01

Human skin presents a large, easily accessible matrix that is potentially useful for diagnostic applications based on whole body metabolite changes – some of which will be volatile and detected using minimally invasive tools. Unfortunately, identifying skin biomarkers that can be reliably linked to a particular condition is challenging due to a large variability of genetics, dietary intake, environmental exposures within human populations. This leads to a paucity of clinically validated volatile skin biomarker compounds. Animal models present a very convenient and attractive way to circumvent many of the variability issues. The rabbit (Leporidae) is a potentially logistically useful model to study the skin metabolome, but very limited knowledge of its skin metabolites exists. Here we present the first comprehensive assessment of the volatile fraction of rabbit skin metabolites using polydimethylsiloxane sorbent patch sampling in conjunction with gas chromatography / mass spectrometry (GC/MS). A collection of compounds that are secreted from rabbit skin was documented, and predominantly acyclic long-chain alkyls and alcohols were detected. We then utilized this animal model to study differences between intact skin and skin with early pressure ulcers, as the latter are a major problem in intensive care units. Four New Zealand female white rabbits underwent ulcer formation on one ear with the other ear as a control. Early-stage ulcers were created with neodymium magnets. Histologic analysis showed acute heterophilic dermatitis, edema, and micro-hemorrhage on the ulcerated ears with normal findings on the control ears. The metabolomic analysis revealed subtle but noticeable differences, with several compounds associated with the oxidative stress-related degradation of lipids found to be present in greater abundances in ulcerated ears. The metabolomic findings correlate with histologic evidence of early-stage ulcers. We postulate that the Leporidae model recapitulated the vascular changes associated with ulcer formation. This study illustrates the potential usefulness of the Leporidae model for skin metabolome studies as illustrated by this study of early-stage ulcer formation. PMID:28068292

Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2 (110) Intermolecular Interaction

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

Yang, Li; Tunega, Daniel; Xu, Lai

2013-08-29

In a previous study (J. Phys. Chem. C 2011, 115, 12403) cluster models for the TiO2 rutile (110) surface and MP2 calculations were used to develop an analytic potential energy function for dimethyl methylphosphonate (DMMP) interacting with this surface. In the work presented here, this analytic potential and MP2 cluster models are compared with DFT "slab" calculations for DMMP interacting with the TiO2 (110) surface and with DFT cluster models for the TiO2 (110) surface. The DFT slab calculations were performed with the PW91 and PBE functionals. The analytic potential gives DMMP/ TiO2 (110) potential energy curves in excellent agreementmore » with those obtained from the slab calculations. The cluster models for the TiO2 (110) surface, used for the MP2 calculations, were extended to DFT calculations with the B3LYP, PW91, and PBE functional. These DFT calculations do not give DMMP/TiO2 (110) interaction energies which agree with those from the DFT slab calculations. Analyses of the wave functions for these cluster models show that they do not accurately represent the HOMO and LUMO for the surface, which should be 2p and 3d orbitals, respectively, and the models also do not give an accurate band gap. The MP2 cluster models do not accurately represent the LUMO and that they give accurate DMMP/TiO2 (110) interaction energies is apparently fortuitous, arising from their highly inaccurate band gaps. Accurate cluster models, consisting of 7, 10, and 15 Ti-atoms and which have the correct HOMO and LUMO properties, are proposed. The work presented here illustrates the care that must be taken in "constructing" cluster models which accurately model surfaces.« less

The Coal-Seq III Consortium. Advancing the Science of CO 2 Sequestration in Coal Seam and Gas Shale Reservoirs

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

Koperna, George

The Coal-Seq consortium is a government-industry collaborative that was initially launched in 2000 as a U.S. Department of Energy sponsored investigation into CO2 sequestration in deep, unmineable coal seams. The consortium’s objective aimed to advancing industry’s understanding of complex coalbed methane and gas shale reservoir behavior in the presence of multi-component gases via laboratory experiments, theoretical model development and field validation studies. Research from this collaborative effort was utilized to produce modules to enhance reservoir simulation and modeling capabilities to assess the technical and economic potential for CO2 storage and enhanced coalbed methane recovery in coal basins. Coal-Seq Phase 3more » expands upon the learnings garnered from Phase 1 & 2, which has led to further investigation into refined model development related to multicomponent equations-of-state, sorption and diffusion behavior, geomechanical and permeability studies, technical and economic feasibility studies for major international coal basins the extension of the work to gas shale reservoirs, and continued global technology exchange. The first research objective assesses changes in coal and shale properties with exposure to CO2 under field replicated conditions. Results indicate that no significant weakening occurs when coal and shale were exposed to CO2, therefore, there was no need to account for mechanical weakening of coal due to the injection of CO2 for modeling. The second major research objective evaluates cleat, Cp, and matrix, Cm, swelling/shrinkage compressibility under field replicated conditions. The experimental studies found that both Cp and Cm vary due to changes in reservoir pressure during injection and depletion under field replicated conditions. Using laboratory data from this study, a compressibility model was developed to predict the pore-volume compressibility, Cp, and the matrix compressibility, Cm, of coal and shale, which was applied to modeling software to enhance model robustness. Research was also conducted to improve algorithms and generalized adsorption models to facilitate realistic simulation of CO2 sequestration in coal seams and shale gas reservoirs. The interaction among water and the adsorbed gases, carbon dioxide (CO2), methane (CH4), and nitrogen (N2) in coalbeds is examined using experimental in situ laboratory techniques to comprehensively model CBM production and CO2 sequestration in coals. An equation of state (EOS) module was developed which is capable of predicting the density of pure components and mixtures involving the wet CBM gases CH4, CO2, and N2 at typical reservoir condition, and is used to inform CO2 injection models. The final research objective examined the effects adsorbed CO2 has on coal strength and permeability. This research studied the weakening or failure of coal by the adsorption of CO2 from empirically derived gas production data to develop models for advanced modeling of permeability changes during CO2 sequestration. The results of this research effort have been used to construct a new and improved model for assessing changes in permeability of coal reservoirs due CO2 injection. The modules developed from these studies and knowledge learned are applied to field validation and basin assessment studies. These data were used to assess the flow and storage of CO2 in a shale reservoir, test newly developed code against large-scale projects, and conduct a basin-oriented review of coal storage potential in the San Juan Basin. The storage potential and flow of CO2 was modeled for shale sequestration of a proprietary Marcellus Shale horizontal gas production well using COMET3 simulation software. Simulation results from five model runs indicate that stored CO2 quantities are linked to the duration of primary production preceding injection. Matrix CO2 saturation is observed to increase in each shale zone after injection with an increase in primary production, and the size of the CO2 plume is also observed to increase in size the longer initial production is sustained. The simulation modules developed around the Coal-Seq experimental work are also incorporated into a pre-existing large-scale numerical simulation model of the Pump Canyon CO2-ECBM pilot in the San Juan Basin. The new model was applied to re-history match the data set to explore the improvements made in permeability prediction against previously published data sets and to validate this module. The assessment of the new data, however, indicates that the impact of the variable Cp is negligible on the overall behavior of the coal for CO2 storage purposes. Applying these new modules, the San Juan Basin and the Marcellus Shale are assessed for their technical ECBM/AGR and CO2 storage potential and the economic potential of these operations. The San Juan Basin was divided into 4 unique geographic zones based on production history, and the Marcellus was divided into nine. Each was assessed based upon each zone’s properties, and simulations were run to assess the potential of full Basin development. Models of a fully developed San Juan Basin suggest the potential for up to 104 Tcf of CO2 storage, and 12.3 Tcf of methane recovery. The Marcellus models suggest 1,248 Tcf of CO2 storage and 924 Tcf of AGR. The economics are deemed favorable where credits cover the cost of CO2 in the San Juan Basin, and in many cases in the Marcellus, but to maximize storage potential, credits need to extend to pay the operator to store CO2.« less

Composition and potential origin of marine debris stranded in the Western Indian Ocean on remote Alphonse Island, Seychelles.

PubMed

Duhec, Aurélie V; Jeanne, Richard F; Maximenko, Nikolai; Hafner, Jan

2015-07-15

The abundance, composition, and potential sources of marine debris were investigated on remote Alphonse Island, during the austral winter 2013. A total of 4743 items, weighing 142 kg, were removed from 1 km of windward beach, facing the prevailing southeasterly trade winds. Our study demonstrates the prevalence of plastic debris as a world-wide marine contaminant. Characteristics of the debris suggest it originated primarily from land-based sources. To determine their potential geographic sources we used the Surface Current from Diagnostic model of near-surface ocean currents, forced by satellite sea level and wind data. While preliminary evidence indicated the Southeast Asia to be the main source of the flotsam, the model highlighted Somalia as another potential primary source. Our study concludes that most of the collected debris entered the sea as a result of inadequate waste management and demonstrates how anthropogenic waste can negatively impact even the most remote environments. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

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

Ardham, Vikram Reddy; Leroy, Frédéric, E-mail: vandervegt@csi.tu-darmstadt.de, E-mail: f.leroy@theo.chemie.tu-darmstadt.de; Deichmann, Gregor

We address the question of how reducing the number of degrees of freedom modifies the interfacial thermodynamic properties of heterogeneous solid-liquid systems. We consider the example of n-hexane interacting with multi-layer graphene which we model both with fully atomistic and coarse-grained (CG) models. The CG models are obtained by means of the conditional reversible work (CRW) method. The interfacial thermodynamics of these models is characterized by the solid-liquid work of adhesion W{sub SL} calculated by means of the dry-surface methodology through molecular dynamics simulations. We find that the CRW potentials lead to values of W{sub SL} that are larger thanmore » the atomistic ones. Clear understanding of the relationship between the structure of n-hexane in the vicinity of the surface and W{sub SL} is elucidated through a detailed study of the energy and entropy components of W{sub SL}. We highlight the crucial role played by the solid-liquid energy fluctuations. Our approach suggests that CG potentials should be designed in such a way that they preserve the range of solid-liquid interaction energies, but also their fluctuations in order to preserve the reference atomistic value of W{sub SL}. Our study thus opens perspectives into deriving CG interaction potentials that preserve the thermodynamics of solid-liquid contacts and will find application in studies that intend to address materials driven by interfaces.« less

Mechanical behavior of cells in microinjection: a minimum potential energy study.

PubMed

Liu, Fei; Wu, Dan; Chen, Ken

2013-08-01

Microinjection is a widely used technique to deliver foreign materials into biological cells. We propose a mathematical model to study the mechanical behavior of a cell in microinjection. Firstly, a cell is modeled by a hyperelastic membrane and interior cytoplasm. Then, based on the fact that the equilibrium configuration of a cell would minimize the potential energy, the energy function during microinjection is analyzed. With Lagrange multiplier and Rayleigh-Ritz technique, we successfully minimize the potential energy and obtain the equilibrium configuration. Upon this model, the injection force, the injection distance, the radius of the microinjector and the membrane stress are studied. The analysis demonstrates that the microinjector radius has a significant influence on the cell mechanical behavior: (1) the larger radius generates larger injection force and larger interior pressure at the same injection distance; (2) the radius determines the place where the membrane is most likely to rupture by governing the membrane stress distribution. For a fine microinjector with radius less than 20% of the cell radius, the most likely rupture point located at the edge of the contact area between the microinjector and the membrane; however, it may move to the middle of the equilibrium configuration as the radius increases. To verify our model, some experiments were conducted on zebrafish egg cells. The results show that the computational analysis agrees with the experimental data, which supports the findings from the theoretical model. Copyright © 2013 Elsevier Ltd. All rights reserved.

Development and test of rural pedestrian safety countermeasures

DOT National Transportation Integrated Search

1983-12-01

Prior to any promulgation by NHTSA of four model traffic regulations for rural pedestrian safety it was the objective of this study to assess, where feasible, the potential effectiveness of these regulations to prevent pedestrian accidents. The model...

Analysis of the dismounted motorist and road-worker model pedestrian safety regulations

DOT National Transportation Integrated Search

1982-08-01

Two pedestrian model regulations previously developed by NHTSA were studied to determine their potential safety benefits. One regulation was concerned with the disabled-vehicle situation and called on motorists to position themselves and their vehicl...

Simulations of the cardiac action potential based on the Hodgkin-Huxley kinetics with the use of Microsoft Excel spreadsheets.

PubMed

Wu, Sheng-Nan

2004-03-31

The purpose of this study was to develop a method to simulate the cardiac action potential using a Microsoft Excel spreadsheet. The mathematical model contained voltage-gated ionic currents that were modeled using either Beeler-Reuter (B-R) or Luo-Rudy (L-R) phase 1 kinetics. The simulation protocol involves the use of in-cell formulas directly typed into a spreadsheet. The capability of spreadsheet iteration was used in these simulations. It does not require any prior knowledge of computer programming, although the use of the macro language can speed up the calculation. The normal configuration of the cardiac ventricular action potential can be well simulated in the B-R model that is defined by four individual ionic currents, each representing the diffusion of ions through channels in the membrane. The contribution of Na+ inward current to the rate of depolarization is reproduced in this model. After removal of Na+ current from the model, a constant current stimulus elicits an oscillatory change in membrane potential. In the L-R phase 1 model where six types of ionic currents were defined, the effect of extracellular K+ concentration on changes both in the time course of repolarization and in the time-independent K+ current can be demonstrated, when the solutions are implemented in Excel. Using the simulation protocols described here, the users can readily study and graphically display the underlying properties of ionic currents to see how changes in these properties determine the behavior of the heart cell. The method employed in these simulation protocols may also be extended or modified to other biological simulation programs.