Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

PubMed

Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P

2016-09-01

One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

PubMed

Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

2015-04-21

We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

Stronger tests of mechanisms underlying geographic gradients of biodiversity: insights from the dimensionality of biodiversity.

PubMed

Stevens, Richard D; Tello, J Sebastián; Gavilanez, María Mercedes

2013-01-01

Inference involving diversity gradients typically is gathered by mechanistic tests involving single dimensions of biodiversity such as species richness. Nonetheless, because traits such as geographic range size, trophic status or phenotypic characteristics are tied to a particular species, mechanistic effects driving broad diversity patterns should manifest across numerous dimensions of biodiversity. We develop an approach of stronger inference based on numerous dimensions of biodiversity and apply it to evaluate one such putative mechanism: the mid-domain effect (MDE). Species composition of 10,000-km(2) grid cells was determined by overlaying geographic range maps of 133 noctilionoid bat taxa. We determined empirical diversity gradients in the Neotropics by calculating species richness and three indices each of phylogenetic, functional and phenetic diversity for each grid cell. We also created 1,000 simulated gradients of each examined metric of biodiversity based on a MDE model to estimate patterns expected if species distributions were randomly placed within the Neotropics. For each simulation run, we regressed the observed gradient onto the MDE-expected gradient. If a MDE drives empirical gradients, then coefficients of determination from such an analysis should be high, the intercept no different from zero and the slope no different than unity. Species richness gradients predicted by the MDE fit empirical patterns. The MDE produced strong spatially structured gradients of taxonomic, phylogenetic, functional and phenetic diversity. Nonetheless, expected values generated from the MDE for most dimensions of biodiversity exhibited poor fit to most empirical patterns. The MDE cannot account for most empirical patterns of biodiversity. Fuller understanding of latitudinal gradients will come from simultaneous examination of relative effects of random, environmental and historical mechanisms to better understand distribution and abundance of the current biota.

Stronger Tests of Mechanisms Underlying Geographic Gradients of Biodiversity: Insights from the Dimensionality of Biodiversity

PubMed Central

Stevens, Richard D.; Tello, J. Sebastián; Gavilanez, María Mercedes

2013-01-01

Inference involving diversity gradients typically is gathered by mechanistic tests involving single dimensions of biodiversity such as species richness. Nonetheless, because traits such as geographic range size, trophic status or phenotypic characteristics are tied to a particular species, mechanistic effects driving broad diversity patterns should manifest across numerous dimensions of biodiversity. We develop an approach of stronger inference based on numerous dimensions of biodiversity and apply it to evaluate one such putative mechanism: the mid-domain effect (MDE). Species composition of 10,000-km2 grid cells was determined by overlaying geographic range maps of 133 noctilionoid bat taxa. We determined empirical diversity gradients in the Neotropics by calculating species richness and three indices each of phylogenetic, functional and phenetic diversity for each grid cell. We also created 1,000 simulated gradients of each examined metric of biodiversity based on a MDE model to estimate patterns expected if species distributions were randomly placed within the Neotropics. For each simulation run, we regressed the observed gradient onto the MDE-expected gradient. If a MDE drives empirical gradients, then coefficients of determination from such an analysis should be high, the intercept no different from zero and the slope no different than unity. Species richness gradients predicted by the MDE fit empirical patterns. The MDE produced strong spatially structured gradients of taxonomic, phylogenetic, functional and phenetic diversity. Nonetheless, expected values generated from the MDE for most dimensions of biodiversity exhibited poor fit to most empirical patterns. The MDE cannot account for most empirical patterns of biodiversity. Fuller understanding of latitudinal gradients will come from simultaneous examination of relative effects of random, environmental and historical mechanisms to better understand distribution and abundance of the current biota. PMID:23451099

Traces on orbifolds: anomalies and one-loop amplitudes

NASA Astrophysics Data System (ADS)

Groot Nibbelink, Stefan

2003-07-01

In the recent literature one can find calculations of various one-loop amplitudes, like anomalies, tadpoles and vacuum energies, on specific types of orbifolds, like S1/Bbb Z2. This work aims to give a general description of such one-loop computations for a large class of orbifold models. In order to achieve a high degree of generality, we formulate these calculations as evaluations of traces of operators over orbifold Hilbert spaces. We find that in general the result is expressed as a sum of traces over hyper surfaces with local projections, and the derivatives perpendicular to these hyper surfaces are rescaled. These local projectors naturally takes into account possible non-periodic boundary conditions. As the examples T6/Bbb Z4 and T4/D4 illustrate, the methods can be applied to non-prime as well as non-abelian orbifolds.

An empirical basis for Mach bands

PubMed Central

Lotto, R. Beau; Williams, S. Mark; Purves, Dale

1999-01-01

Mach bands, the illusory brightness maxima and minima perceived at the initiation and termination of luminance gradients, respectively, are generally considered a direct perceptual manifestation of lateral inhibitory interactions among retinal or other lower order visual neurons. Here we examine an alternative explanation, namely that Mach bands arise as a consequence of real-world luminance gradients. In this first of two companion papers, we analyze the natural sources of luminance gradients, demonstrating that real-world gradients arising from curved surfaces are ordinarily adorned by photometric highlights and lowlights in the position of the illusory bands. The prevalence of such gradients provides an empirical basis for the generation of this perceptual phenomenon. PMID:10220450

Evaluating the generalizability of GEP models for estimating reference evapotranspiration in distant humid and arid locations

NASA Astrophysics Data System (ADS)

Kiafar, Hamed; Babazadeh, Hosssien; Marti, Pau; Kisi, Ozgur; Landeras, Gorka; Karimi, Sepideh; Shiri, Jalal

2017-10-01

Evapotranspiration estimation is of crucial importance in arid and hyper-arid regions, which suffer from water shortage, increasing dryness and heat. A modeling study is reported here to cross-station assessment between hyper-arid and humid conditions. The derived equations estimate ET0 values based on temperature-, radiation-, and mass transfer-based configurations. Using data from two meteorological stations in a hyper-arid region of Iran and two meteorological stations in a humid region of Spain, different local and cross-station approaches are applied for developing and validating the derived equations. The comparison of the gene expression programming (GEP)-based-derived equations with corresponding empirical-semi empirical ET0 estimation equations reveals the superiority of new formulas in comparison with the corresponding empirical equations. Therefore, the derived models can be successfully applied in these hyper-arid and humid regions as well as similar climatic contexts especially in data-lack situations. The results also show that when relying on proper input configurations, cross-station might be a promising alternative for locally trained models for the stations with data scarcity.

Theoretical studies of surface enhanced hyper-Raman spectroscopy: The chemical enhancement mechanism

NASA Astrophysics Data System (ADS)

Valley, Nicholas; Jensen, Lasse; Autschbach, Jochen; Schatz, George C.

2010-08-01

Hyper-Raman spectra for pyridine and pyridine on the surface of a tetrahedral 20 silver atom cluster are calculated using static hyperpolarizability derivatives obtained from time dependent density functional theory. The stability of the results with respect to choice of exchange-correlation functional and basis set is verified by comparison with experiment and with Raman spectra calculated for the same systems using the same methods. Calculated Raman spectra were found to match well with experiment and previous theoretical calculations. The calculated normal and surface enhanced hyper-Raman spectra closely match experimental results. The chemical enhancement factors for hyper-Raman are generally larger than for Raman (102-104 versus 101-102). Integrated hyper-Raman chemical enhancement factors are presented for a set of substituted pyridines. A two-state model is developed to predict these chemical enhancement factors and this was found to work well for the majority of the molecules considered, providing a rationalization for the difference between hyper-Raman and Raman enhancement factors.

Numerical algorithms for scatter-to-attenuation reconstruction in PET: empirical comparison of convergence, acceleration, and the effect of subsets.

PubMed

Berker, Yannick; Karp, Joel S; Schulz, Volkmar

2017-09-01

The use of scattered coincidences for attenuation correction of positron emission tomography (PET) data has recently been proposed. For practical applications, convergence speeds require further improvement, yet there exists a trade-off between convergence speed and the risk of non-convergence. In this respect, a maximum-likelihood gradient-ascent (MLGA) algorithm and a two-branch back-projection (2BP), which was previously proposed, were evaluated. MLGA was combined with the Armijo step size rule; and accelerated using conjugate gradients, Nesterov's momentum method, and data subsets of different sizes. In 2BP, we varied the subset size, an important determinant of convergence speed and computational burden. We used three sets of simulation data to evaluate the impact of a spatial scale factor. The Armijo step size allowed 10-fold increased step sizes compared to native MLGA. Conjugate gradients and Nesterov momentum lead to slightly faster, yet non-uniform convergence; improvements were mostly confined to later iterations, possibly due to the non-linearity of the problem. MLGA with data subsets achieved faster, uniform, and predictable convergence, with a speed-up factor equivalent to the number of subsets and no increase in computational burden. By contrast, 2BP computational burden increased linearly with the number of subsets due to repeated evaluation of the objective function, and convergence was limited to the case of many (and therefore small) subsets, which resulted in high computational burden. Possibilities of improving 2BP appear limited. While general-purpose acceleration methods appear insufficient for MLGA, results suggest that data subsets are a promising way of improving MLGA performance.

Do Quercus ilex woodlands undergo abrupt non-linear functional changes in response to human disturbance along a climatic gradient?

NASA Astrophysics Data System (ADS)

Bochet, Esther; García-Fayos, Patricio; José Molina, Maria; Moreno de las Heras, Mariano; Espigares, Tíscar; Nicolau, Jose Manuel; Monleon, Vicente

2017-04-01

Theoretical models predict that drylands are particularly prone to suffer critical transitions with abrupt non-linear changes in their structure and functions as a result of the existing complex interactions between climatic fluctuations and human disturbances. However, so far, few studies provide empirical data to validate these models. We aim at determining how holm oak (Quercus ilex) woodlands undergo changes in their functions in response to human disturbance along an aridity gradient (from semi-arid to sub-humid conditions), in eastern Spain. For that purpose, we used (a) remote-sensing estimations of precipitation-use-efficiency (PUE) from enhanced vegetation index (EVI) observations performed in 231x231 m plots of the Moderate Resolution Imaging Spectroradiometer (MODIS); (b) biological and chemical soil parameter determinations (extracellular soil enzyme activity, soil respiration, nutrient cycling processes) from soil sampled in the same plots; (c) vegetation parameter determinations (ratio of functional groups) from vegetation surveys performed in the same plots. We analyzed and compared the shape of the functional change (in terms of PUE and soil and vegetation parameters) in response to human disturbance intensity for our holm oak sites along the aridity gradient. Overall, our results evidenced important differences in the shape of the functional change in response to human disturbance between climatic conditions. Semi-arid areas experienced a more accelerated non-linear decrease with an increasing disturbance intensity than sub-humid ones. The proportion of functional groups (herbaceous vs. woody cover) played a relevant role in the shape of the functional response of the holm oak sites to human disturbance.

SES Gradients Among Mexicans in the United States and in Mexico: A New Twist to the Hispanic Paradox?

PubMed Central

Palloni, Alberto; Riosmena, Fernando; Wong, Rebeca

2016-01-01

Recent empirical findings have suggested the existence of a twist in the Hispanic paradox, in which Mexican and other Hispanic foreign-born migrants living in the United States experience shallower socioeconomic status (SES) health disparities than those in the U.S. population. In this article, we seek to replicate this finding and test conjectures that could explain this new observed phenomenon using objective indicators of adult health by educational attainment in several groups: (1) Mexicanborn individuals living in Mexico and in the United States, (2) U.S.-born Mexican Americans, and (3) non-Hispanic American whites. Our analytical strategy improves upon previous research on three fronts. First, we derive four hypotheses from a general framework that has also been used to explain the standard Hispanic paradox. Second, we study biomarkers rather than self-reported health and related conditions. Third, we use a binational data platform that includes both Mexicans living in Mexico (Mexican National Health and Nutrition Survey 2006) and Mexican migrants to the United States (NHANES 1999–2010). We find steep education gradients among Mexicans living in Mexico’s urban areas in five of six biomarkers of metabolic syndrome (MetS) and in the overall MetS score. Mexican migrants living in the United States experience similar patterns to Mexicans living in Mexico in glucose and obesity biomarkers. These results are inconsistent with previous findings, suggesting that Mexican migrants in the United States experience significantly attenuated health gradients relative to the non-Hispanic white U.S. population. Our empirical evidence also contradicts the idea that SES-health gradients in Mexico are shallower than those in the United States and could be invoked to explain shallower gradients among Mexicans living in the United States. PMID:27655408

SES Gradients Among Mexicans in the United States and in Mexico: A New Twist to the Hispanic Paradox?

PubMed

Beltrán-Sánchez, Hiram; Palloni, Alberto; Riosmena, Fernando; Wong, Rebeca

2016-10-01

Recent empirical findings have suggested the existence of a twist in the Hispanic paradox, in which Mexican and other Hispanic foreign-born migrants living in the United States experience shallower socioeconomic status (SES) health disparities than those in the U.S. In this article, we seek to replicate this finding and test conjectures that could explain this new observed phenomenon using objective indicators of adult health by educational attainment in several groups: (1) Mexican-born individuals living in Mexico and in the United States, (2) U.S.-born Mexican Americans, and (3) non-Hispanic American whites. Our analytical strategy improves upon previous research on three fronts. First, we derive four hypotheses from a general framework that has also been used to explain the standard Hispanic paradox. Second, we study biomarkers rather than self-reported health and related conditions. Third, we use a binational data platform that includes both Mexicans living in Mexico (Mexican National Health and Nutrition Survey 2006) and Mexican migrants to the United States (NHANES 1999-2010). We find steep education gradients among Mexicans living in Mexico's urban areas in five of six biomarkers of metabolic syndrome (MetS) and in the overall MetS score. Mexican migrants living in the United States experience similar patterns to Mexicans living in Mexico in glucose and obesity biomarkers. These results are inconsistent with previous findings, suggesting that Mexican migrants in the United States experience significantly attenuated health gradients relative to the non-Hispanic white U.S. Our empirical evidence also contradicts the idea that SES-health gradients in Mexico are shallower than those in the United States and could be invoked to explain shallower gradients among Mexicans living in the United States.

Hyper-Fit: Fitting Linear Models to Multidimensional Data with Multivariate Gaussian Uncertainties

NASA Astrophysics Data System (ADS)

Robotham, A. S. G.; Obreschkow, D.

2015-09-01

Astronomical data is often uncertain with errors that are heteroscedastic (different for each data point) and covariant between different dimensions. Assuming that a set of D-dimensional data points can be described by a (D - 1)-dimensional plane with intrinsic scatter, we derive the general likelihood function to be maximised to recover the best fitting model. Alongside the mathematical description, we also release the hyper-fit package for the R statistical language (http://github.com/asgr/hyper.fit) and a user-friendly web interface for online fitting (http://hyperfit.icrar.org). The hyper-fit package offers access to a large number of fitting routines, includes visualisation tools, and is fully documented in an extensive user manual. Most of the hyper-fit functionality is accessible via the web interface. In this paper, we include applications to toy examples and to real astronomical data from the literature: the mass-size, Tully-Fisher, Fundamental Plane, and mass-spin-morphology relations. In most cases, the hyper-fit solutions are in good agreement with published values, but uncover more information regarding the fitted model.

Disrupted brain network functional dynamics and hyper-correlation of structural and functional connectome topology in patients with breast cancer prior to treatment.

PubMed

Kesler, Shelli R; Adams, Marjorie; Packer, Melissa; Rao, Vikram; Henneghan, Ashley M; Blayney, Douglas W; Palesh, Oxana

2017-03-01

Several previous studies have demonstrated that cancer chemotherapy is associated with brain injury and cognitive dysfunction. However, evidence suggests that cancer pathogenesis alone may play a role, even in non-CNS cancers. Using a multimodal neuroimaging approach, we measured structural and functional connectome topology as well as functional network dynamics in newly diagnosed patients with breast cancer. Our study involved a novel, pretreatment assessment that occurred prior to the initiation of any cancer therapies, including surgery with anesthesia. We enrolled 74 patients with breast cancer age 29-65 and 50 frequency-matched healthy female controls who underwent anatomic and resting-state functional MRI as well as cognitive testing. Compared to controls, patients with breast cancer demonstrated significantly lower functional network dynamics ( p  = .046) and cognitive functioning ( p  < .02, corrected). The breast cancer group also showed subtle alterations in structural local clustering and functional local clustering ( p  < .05, uncorrected) as well as significantly increased correlation between structural global clustering and functional global clustering compared to controls ( p  = .03). This hyper-correlation between structural and functional topologies was significantly associated with cognitive dysfunction ( p  = .005). Our findings could not be accounted for by psychological distress and suggest that non-CNS cancer may directly and/or indirectly affect the brain via mechanisms such as tumor-induced neurogenesis, inflammation, and/or vascular changes, for example. Our results also have broader implications concerning the importance of the balance between structural and functional connectome properties as a potential biomarker of general neurologic deficit.

An Empirical Temperature Variance Source Model in Heated Jets

NASA Technical Reports Server (NTRS)

Khavaran, Abbas; Bridges, James

2012-01-01

An acoustic analogy approach is implemented that models the sources of jet noise in heated jets. The equivalent sources of turbulent mixing noise are recognized as the differences between the fluctuating and Favre-averaged Reynolds stresses and enthalpy fluxes. While in a conventional acoustic analogy only Reynolds stress components are scrutinized for their noise generation properties, it is now accepted that a comprehensive source model should include the additional entropy source term. Following Goldstein s generalized acoustic analogy, the set of Euler equations are divided into two sets of equations that govern a non-radiating base flow plus its residual components. When the base flow is considered as a locally parallel mean flow, the residual equations may be rearranged to form an inhomogeneous third-order wave equation. A general solution is written subsequently using a Green s function method while all non-linear terms are treated as the equivalent sources of aerodynamic sound and are modeled accordingly. In a previous study, a specialized Reynolds-averaged Navier-Stokes (RANS) solver was implemented to compute the variance of thermal fluctuations that determine the enthalpy flux source strength. The main objective here is to present an empirical model capable of providing a reasonable estimate of the stagnation temperature variance in a jet. Such a model is parameterized as a function of the mean stagnation temperature gradient in the jet, and is evaluated using commonly available RANS solvers. The ensuing thermal source distribution is compared with measurements as well as computational result from a dedicated RANS solver that employs an enthalpy variance and dissipation rate model. Turbulent mixing noise predictions are presented for a wide range of jet temperature ratios from 1.0 to 3.20.

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

DOE PAGES

Song, Chenchen; Martinez, Todd J.

2017-08-29

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2017-10-01

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. The resulting energy conservation in micro-canonical AIMD demonstrates that the implementation provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

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

Song, Chenchen; Martinez, Todd J.

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less

Soil moisture gradients and controls on a southern Appalachian hillslope from drought through recharge

Treesearch

J.A. Yeakley; W.T. Swank; L.W. Swift; G.M. Hornberger; H.H. Shugart

1998-01-01

Soil moisture gradients along hillslopes in humid watersheds, although indicated by vegetation gradients and by studies using models, have been difficult to confirm empirically. While soil properties and topographic features are the two general physiographic factors controlling soil moisture on hillslopes, studies have shown conflicting results regarding which factor...

Explorations on High Dimensional Landscapes: Spin Glasses and Deep Learning

NASA Astrophysics Data System (ADS)

Sagun, Levent

This thesis deals with understanding the structure of high-dimensional and non-convex energy landscapes. In particular, its focus is on the optimization of two classes of functions: homogeneous polynomials and loss functions that arise in machine learning. In the first part, the notion of complexity of a smooth, real-valued function is studied through its critical points. Existing theoretical results predict that certain random functions that are defined on high dimensional domains have a narrow band of values whose pre-image contains the bulk of its critical points. This section provides empirical evidence for convergence of gradient descent to local minima whose energies are near the predicted threshold justifying the existing asymptotic theory. Moreover, it is empirically shown that a similar phenomenon may hold for deep learning loss functions. Furthermore, there is a comparative analysis of gradient descent and its stochastic version showing that in high dimensional regimes the latter is a mere speedup. The next study focuses on the halting time of an algorithm at a given stopping condition. Given an algorithm, the normalized fluctuations of the halting time follow a distribution that remains unchanged even when the input data is sampled from a new distribution. Two qualitative classes are observed: a Gumbel-like distribution that appears in Google searches, human decision times, and spin glasses and a Gaussian-like distribution that appears in conjugate gradient method, deep learning with MNIST and random input data. Following the universality phenomenon, the Hessian of the loss functions of deep learning is studied. The spectrum is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. Empirical evidence is presented for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data. Furthermore, an algorithm is proposed such that it would explore such large dimensional, degenerate landscapes to locate a solution with decent generalization properties. Finally, a demonstration of how the new method can explain the empirical success of some of the recent methods that have been proposed for distributed deep learning. In the second part, two applied machine learning problems are studied that are complementary to the machine learning problems of part I. First, US asylum applications cases are studied using random forests on the data of past twenty years. Using only features up to when the case opens, the algorithm can predict the outcome of the case with 80% accuracy. Next, a particular question and answer system has been studied. The questions are collected from Jeopardy! show and they fed to Google, then the results are parsed into a recurrent neural network to come up with a system that would outcome the answer to the original question. Close to 50% accuracy is achieved where human level benchmark is just a little above 60%.

The Green's functions for peridynamic non-local diffusion.

PubMed

Wang, L J; Xu, J F; Wang, J X

2016-09-01

In this work, we develop the Green's function method for the solution of the peridynamic non-local diffusion model in which the spatial gradient of the generalized potential in the classical theory is replaced by an integral of a generalized response function in a horizon. We first show that the general solutions of the peridynamic non-local diffusion model can be expressed as functionals of the corresponding Green's functions for point sources, along with volume constraints for non-local diffusion. Then, we obtain the Green's functions by the Fourier transform method for unsteady and steady diffusions in infinite domains. We also demonstrate that the peridynamic non-local solutions converge to the classical differential solutions when the non-local length approaches zero. Finally, the peridynamic analytical solutions are applied to an infinite plate heated by a Gauss source, and the predicted variations of temperature are compared with the classical local solutions. The peridynamic non-local diffusion model predicts a lower rate of variation of the field quantities than that of the classical theory, which is consistent with experimental observations. The developed method is applicable to general diffusion-type problems.

Fast alternating projection methods for constrained tomographic reconstruction

PubMed Central

Liu, Li; Han, Yongxin

2017-01-01

The alternating projection algorithms are easy to implement and effective for large-scale complex optimization problems, such as constrained reconstruction of X-ray computed tomography (CT). A typical method is to use projection onto convex sets (POCS) for data fidelity, nonnegative constraints combined with total variation (TV) minimization (so called TV-POCS) for sparse-view CT reconstruction. However, this type of method relies on empirically selected parameters for satisfactory reconstruction and is generally slow and lack of convergence analysis. In this work, we use a convex feasibility set approach to address the problems associated with TV-POCS and propose a framework using full sequential alternating projections or POCS (FS-POCS) to find the solution in the intersection of convex constraints of bounded TV function, bounded data fidelity error and non-negativity. The rationale behind FS-POCS is that the mathematically optimal solution of the constrained objective function may not be the physically optimal solution. The breakdown of constrained reconstruction into an intersection of several feasible sets can lead to faster convergence and better quantification of reconstruction parameters in a physical meaningful way than that in an empirical way of trial-and-error. In addition, for large-scale optimization problems, first order methods are usually used. Not only is the condition for convergence of gradient-based methods derived, but also a primal-dual hybrid gradient (PDHG) method is used for fast convergence of bounded TV. The newly proposed FS-POCS is evaluated and compared with TV-POCS and another convex feasibility projection method (CPTV) using both digital phantom and pseudo-real CT data to show its superior performance on reconstruction speed, image quality and quantification. PMID:28253298

Non-linear education gradient across the nutrition transition: mothers' overweight and the population education transition.

PubMed

Jeon, Haram; Salinas, Daniel; Baker, David P

2015-12-01

Previous studies found that developed and developing countries present opposite education-overweight gradients but have not considered the dynamics at different levels of national development. An inverted U-shaped curve is hypothesized to best describe the education-overweight association. It is also hypothesized that as the nutrition transition unfolds within nations the shape of education-overweight curve changes. Multilevel logistic regression was used to estimate the moderating effect of the nutrition transition at the population level on the education-overweight gradient. At the individual level, a non-linear estimate of the education association was used to assess the optimal functional form of the association across the nutrition transition. Twenty-two administrations of the Demographic and Health Survey, collected at different time points across the nutrition transition in nine Latin American/Caribbean countries. Mothers of reproductive age (15-49 years) in each administration (n 143 258). In the pooled sample, a non-linear education gradient on mothers' overweight was found; each additional year of schooling increases the probability of being overweight up to the end of primary schooling, after which each additional year of schooling decreases the probability of overweight. Also, as access to diets high in animal fats and sweeteners increases over time, the curve's critical point moves to lower education levels, the detrimental positive effect of education diminishes, and both occur as the overall risk of overweight increases with greater access to harmful diets. Both hypotheses were supported. As the nutrition transition progresses, the education-overweight curve shifts steadily to a negative linear association with a higher average risk of overweight; and education, at increasingly lower levels, acts as a 'social vaccine' against increasing risk of overweight. These empirical patterns fit the general 'population education transition' curve hypothesis about how education's influences on health risks are contextualized across population transitions.

Non-linear education gradient across the nutrition transition: mothers’ overweight and the population education transition

PubMed Central

Salinas, Daniel; Baker, David P

2015-01-01

Objective Previous studies found that developed and developing countries present opposite education-overweight gradients but have not considered the dynamics at different levels of national development. A U-inverted curve is hypothesized to best describe the education-overweight association. It is also hypothesized that as the nutrition transition unfolds within nations the shape of education-overweight curve change. Design Multi-level logistic regression estimates the moderating effect of the nutrition transition at the population level on education-overweight gradient. At the individual level, a non-linear estimate of the education association assesses the optimal functional form of the association across the nutrition transition. Setting Twenty-two administrations of the Demographic and Health Survey, collected at different time points across the nutrition transition in nine Latin American/Caribbean countries. Subjects Mothers of reproductive age (15–49) in each administration (n 143,258). Results In the pooled sample, a non-linear education gradient on mothers‘ overweight is found; each additional year of schooling increases the probability of being overweight up to the end of primary schooling, after which each additional year of schooling decreases the probability of overweight. Also, as access to diets of high animal fats and sweeteners increases over time, the curve‘s critical point moves to lower education levels, the detrimental positive effect of education diminishes, and both occur as the overall risk of overweight increases with greater access to harmful diets. Conclusions Both hypotheses are supported. As the nutrition transition progresses, the education-overweight curve steadily shifts to a negative linear association with higher average risk of overweight; and education, at increasingly lower levels, acts as a “social vaccine” against increasing risk of overweight. These empirical patterns fit the general “population education transition” (PET) curve hypothesis about how education influences on health risks are contextualized across population transitions. PMID:26054756

Adolescent stalking and risk of violence✩

PubMed Central

Smith-Darden, Joanne P.; Reidy, Dennis E.; Kernsmith, Poco D.

2018-01-01

Stalking perpetration and the associated risk for violence among adolescents has generally been neglected. In the present study, 1236 youth completed surveys assessing empirically established stalking indicators, threats and aggression toward stalking victims, dating violence, and violent delinquency. Latent Profile Analysis identified 3 latent classes of boys: non-perpetrators (NP), hyper-intimate pursuit (HIP), and comprehensive stalking perpetrators (CSP) and, and 2 classes for girls: NP and HIP. Boys in the CSP class were the most violent youth on nearly all indices with boys in the HIP class demonstrating an intermediate level of violence compared to NP boys. Girls in the HIP class were more violent than NP girls on all indices. These findings suggest stalking in adolescence merits attention by violence prevention experts. In particular, juvenile stalking may signify youth at risk for multiple forms of violence perpetrated against multiple types of victims, not just the object of their infatuation. PMID:27641644

Bayesian `hyper-parameters' approach to joint estimation: the Hubble constant from CMB measurements

NASA Astrophysics Data System (ADS)

Lahav, O.; Bridle, S. L.; Hobson, M. P.; Lasenby, A. N.; Sodré, L.

2000-07-01

Recently several studies have jointly analysed data from different cosmological probes with the motivation of estimating cosmological parameters. Here we generalize this procedure to allow freedom in the relative weights of various probes. This is done by including in the joint χ2 function a set of `hyper-parameters', which are dealt with using Bayesian considerations. The resulting algorithm, which assumes uniform priors on the log of the hyper-parameters, is very simple: instead of minimizing \\sum \\chi_j2 (where \\chi_j2 is per data set j) we propose to minimize \\sum Nj (\\chi_j2) (where Nj is the number of data points per data set j). We illustrate the method by estimating the Hubble constant H0 from different sets of recent cosmic microwave background (CMB) experiments (including Saskatoon, Python V, MSAM1, TOCO and Boomerang). The approach can be generalized for combinations of cosmic probes, and for other priors on the hyper-parameters.

The Green’s functions for peridynamic non-local diffusion

PubMed Central

Wang, L. J.; Xu, J. F.

2016-01-01

In this work, we develop the Green’s function method for the solution of the peridynamic non-local diffusion model in which the spatial gradient of the generalized potential in the classical theory is replaced by an integral of a generalized response function in a horizon. We first show that the general solutions of the peridynamic non-local diffusion model can be expressed as functionals of the corresponding Green’s functions for point sources, along with volume constraints for non-local diffusion. Then, we obtain the Green’s functions by the Fourier transform method for unsteady and steady diffusions in infinite domains. We also demonstrate that the peridynamic non-local solutions converge to the classical differential solutions when the non-local length approaches zero. Finally, the peridynamic analytical solutions are applied to an infinite plate heated by a Gauss source, and the predicted variations of temperature are compared with the classical local solutions. The peridynamic non-local diffusion model predicts a lower rate of variation of the field quantities than that of the classical theory, which is consistent with experimental observations. The developed method is applicable to general diffusion-type problems. PMID:27713658

SO(4) algebraic approach to the three-body bound state problem in two dimensions

NASA Astrophysics Data System (ADS)

Dmitrašinović, V.; Salom, Igor

2014-08-01

We use the permutation symmetric hyperspherical three-body variables to cast the non-relativistic three-body Schrödinger equation in two dimensions into a set of (possibly decoupled) differential equations that define an eigenvalue problem for the hyper-radial wave function depending on an SO(4) hyper-angular matrix element. We express this hyper-angular matrix element in terms of SO(3) group Clebsch-Gordan coefficients and use the latter's properties to derive selection rules for potentials with different dynamical/permutation symmetries. Three-body potentials acting on three identical particles may have different dynamical symmetries, in order of increasing symmetry, as follows: (1) S3 ⊗ OL(2), the permutation times rotational symmetry, that holds in sums of pairwise potentials, (2) O(2) ⊗ OL(2), the so-called "kinematic rotations" or "democracy symmetry" times rotational symmetry, that holds in area-dependent potentials, and (3) O(4) dynamical hyper-angular symmetry, that holds in hyper-radial three-body potentials. We show how the different residual dynamical symmetries of the non-relativistic three-body Hamiltonian lead to different degeneracies of certain states within O(4) multiplets.

Single-photon test of hyper-complex quantum theories using a metamaterial.

PubMed

Procopio, Lorenzo M; Rozema, Lee A; Wong, Zi Jing; Hamel, Deny R; O'Brien, Kevin; Zhang, Xiang; Dakić, Borivoje; Walther, Philip

2017-04-21

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. To accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. We show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.

Single-photon test of hyper-complex quantum theories using a metamaterial

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

Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial withmore » a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.« less

Single-photon test of hyper-complex quantum theories using a metamaterial

DOE PAGES

Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing; ...

2017-04-21

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial withmore » a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.« less

Single-photon test of hyper-complex quantum theories using a metamaterial

PubMed Central

Procopio, Lorenzo M.; Rozema, Lee A.; Wong, Zi Jing; Hamel, Deny R.; O'Brien, Kevin; Zhang, Xiang; Dakić, Borivoje; Walther, Philip

2017-01-01

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. To accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. We show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories. PMID:28429711

Individual stellar haloes of massive galaxies measured to 100 kpc at 0.3 < z < 0.5 using Hyper Suprime-Cam

NASA Astrophysics Data System (ADS)

Huang, Song; Leauthaud, Alexie; Greene, Jenny E.; Bundy, Kevin; Lin, Yen-Ting; Tanaka, Masayuki; Miyazaki, Satoshi; Komiyama, Yutaka

2018-04-01

Massive galaxies display extended light profiles that can reach several hundreds of kiloparsecs. We use data from the Hyper Suprime-Cam (HSC) survey that is simultaneously wide (˜100 deg2) and deep (>28.5 mag arcsec-2 in i band) to study the stellar haloes of a sample of ˜7000 massive galaxies at z ˜ 0.4. The depth of the HSC data enables us to measure surface mass density profiles to 100 kpc for individual galaxies without stacking. As in previous work, we find that more massive galaxies exhibit more extended outer profiles than smaller galaxies. When this extended light is not properly accounted for (because of shallow imaging and/or inadequate profile modelling), the derived stellar mass function can be significantly underestimated at the high-mass end. Across our sample, the ellipticity of outer light profile increases substantially with radius. We show for the first time that these ellipticity gradients steepen dramatically as a function of galaxy mass, but we detect no mass dependence in outer colour gradients. Our results support the two-phase formation scenario for massive galaxies in which outer envelopes are built up at a later time from a series of merging events. We provide surface mass density profiles in a convenient tabulated format to facilitate comparisons with predictions from numerical simulations of galaxy formation.

Advanced Materials by Atom Transfer Radical Polymerization.

PubMed

Matyjaszewski, Krzysztof

2018-06-01

Atom transfer radical polymerization (ATRP) has been successfully employed for the preparation of various advanced materials with controlled architecture. New catalysts with strongly enhanced activity permit more environmentally benign ATRP procedures using ppm levels of catalyst. Precise control over polymer composition, topology, and incorporation of site specific functionality enables synthesis of well-defined gradient, block, comb copolymers, polymers with (hyper)branched structures including stars, densely grafted molecular brushes or networks, as well as inorganic-organic hybrid materials and bioconjugates. Examples of specific applications of functional materials include thermoplastic elastomers, nanostructured carbons, surfactants, dispersants, functionalized surfaces, and biorelated materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Food web complexity and stability across habitat connectivity gradients.

PubMed

LeCraw, Robin M; Kratina, Pavel; Srivastava, Diane S

2014-12-01

The effects of habitat connectivity on food webs have been studied both empirically and theoretically, yet the question of whether empirical results support theoretical predictions for any food web metric other than species richness has received little attention. Our synthesis brings together theory and empirical evidence for how habitat connectivity affects both food web stability and complexity. Food web stability is often predicted to be greatest at intermediate levels of connectivity, representing a compromise between the stabilizing effects of dispersal via rescue effects and prey switching, and the destabilizing effects of dispersal via regional synchronization of population dynamics. Empirical studies of food web stability generally support both this pattern and underlying mechanisms. Food chain length has been predicted to have both increasing and unimodal relationships with connectivity as a result of predators being constrained by the patch occupancy of their prey. Although both patterns have been documented empirically, the underlying mechanisms may differ from those predicted by models. In terms of other measures of food web complexity, habitat connectivity has been empirically found to generally increase link density but either reduce or have no effect on connectance, whereas a unimodal relationship is expected. In general, there is growing concordance between empirical patterns and theoretical predictions for some effects of habitat connectivity on food webs, but many predictions remain to be tested over a full connectivity gradient, and empirical metrics of complexity are rarely modeled. Closing these gaps will allow a deeper understanding of how natural and anthropogenic changes in connectivity can affect real food webs.

The potential and flux landscape theory of evolution.

PubMed

Zhang, Feng; Xu, Li; Zhang, Kun; Wang, Erkang; Wang, Jin

2012-08-14

We established the potential and flux landscape theory for evolution. We found explicitly the conventional Wright's gradient adaptive landscape based on the mean fitness is inadequate to describe the general evolutionary dynamics. We show the intrinsic potential as being Lyapunov function(monotonically decreasing in time) does exist and can define the adaptive landscape for general evolution dynamics for studying global stability. The driving force determining the dynamics can be decomposed into gradient of potential landscape and curl probability flux. Non-zero flux causes detailed balance breaking and measures how far the evolution from equilibrium state. The gradient of intrinsic potential and curl flux are perpendicular to each other in zero fluctuation limit resembling electric and magnetic forces on electrons. We quantified intrinsic energy, entropy and free energy of evolution and constructed non-equilibrium thermodynamics. The intrinsic non-equilibrium free energy is a Lyapunov function. Both intrinsic potential and free energy can be used to quantify the global stability and robustness of evolution. We investigated an example of three allele evolutionary dynamics with frequency dependent selection (detailed balance broken). We uncovered the underlying single, triple, and limit cycle attractor landscapes. We found quantitative criterions for stability through landscape topography. We also quantified evolution pathways and found paths do not follow potential gradient and are irreversible due to non-zero flux. We generalized the original Fisher's fundamental theorem to the general (i.e., frequency dependent selection) regime of evolution by linking the adaptive rate with not only genetic variance related to the potential but also the flux. We show there is an optimum potential where curl flux resulting from biotic interactions of individuals within a species or between species can sustain an endless evolution even if the physical environment is unchanged. We offer a theoretical basis for explaining the corresponding Red Queen hypothesis proposed by Van Valen. Our work provides a theoretical foundation for evolutionary dynamics.

Improvement of surface flux calculation: A study based on measurements over alpine meadow in the eastern Tibet Plateau in summer

NASA Astrophysics Data System (ADS)

Li, Sen; Zhong, Zhong

2014-02-01

An improved flux-gradient relationship between momentum φm(ζ) and sensible heat φh(ζ) is obtained by the use of the observational data over an alpine meadow in the eastern Tibet Plateau, in Maqu of China during the period June to August, 2010. The empirical coefficients of Businger—Dyer type function for the cases of unstable and stable stratification are modified. Non-dimensional vertical gradients of wind and potential temperature are calculated by three fitting functions; that is, the log—linear, log—square, and log—cubic functions, respectively. It is found that the von Karman constant approaches 0.4025 and the Prandtl number is about 1.10 based on the measurements in near-neutral conditions, which are within reasonable range proposed in previous studies. The revised flux-gradient profile functions of -1/5 power law for momentum and -1/3 power law for sensible heat are best fitted in unstable stratification conditions. Meanwhile, 2/5 power law, instead of linear functions, is more appropriate in stable stratification cases for momentum and sensible heat. Compared with results from previous studies in which traditional functions are used, the momentum and sensible heat fluxes estimated by the revised profile functions in the current study are much closer to the observations for the unstable and stable stratification conditions.

Non-linear effects of drought under shade: reconciling physiological and ecological models in plant communities.

PubMed

Holmgren, Milena; Gómez-Aparicio, Lorena; Quero, José Luis; Valladares, Fernando

2012-06-01

The combined effects of shade and drought on plant performance and the implications for species interactions are highly debated in plant ecology. Empirical evidence for positive and negative effects of shade on the performance of plants under dry conditions supports two contrasting theoretical models about the role of shade under dry conditions: the trade-off and the facilitation hypotheses. We performed a meta-analysis of field and greenhouse studies evaluating the effects of drought at two or more irradiance levels on nine response variables describing plant physiological condition, growth, and survival. We explored differences in plant response across plant functional types, ecosystem types and methodological approaches. The data were best fit using quadratic models indicating a humped-back shape response to drought along an irradiance gradient for survival, whole plant biomass, maximum photosynthetic capacity, stomatal conductance and maximal photochemical efficiency. Drought effects were ameliorated at intermediate irradiance, becoming more severe at higher or lower light levels. This general pattern was maintained when controlling for potential variations in the strength of the drought treatment among light levels. Our quantitative meta-analysis indicates that dense shade ameliorates drought especially among drought-intolerant and shade-tolerant species. Wet tropical species showed larger negative effects of drought with increasing irradiance than semiarid and cold temperate species. Non-linear responses to irradiance were stronger under field conditions than under controlled greenhouse conditions. Non-linear responses to drought along the irradiance gradient reconciliate opposing views in plant ecology, indicating that facilitation is more likely within certain range of environmental conditions, fading under deep shade, especially for drought-tolerant species.

Global gradient estimates for divergence-type elliptic problems involving general nonlinear operators

NASA Astrophysics Data System (ADS)

Cho, Yumi

2018-05-01

We study nonlinear elliptic problems with nonstandard growth and ellipticity related to an N-function. We establish global Calderón-Zygmund estimates of the weak solutions in the framework of Orlicz spaces over bounded non-smooth domains. Moreover, we prove a global regularity result for asymptotically regular problems which are getting close to the regular problems considered, when the gradient variable goes to infinity.

Gauge and integrable theories in loop spaces

NASA Astrophysics Data System (ADS)

Ferreira, L. A.; Luchini, G.

2012-05-01

We propose an integral formulation of the equations of motion of a large class of field theories which leads in a quite natural and direct way to the construction of conservation laws. The approach is based on generalized non-abelian Stokes theorems for p-form connections, and its appropriate mathematical language is that of loop spaces. The equations of motion are written as the equality of a hyper-volume ordered integral to a hyper-surface ordered integral on the border of that hyper-volume. The approach applies to integrable field theories in (1+1) dimensions, Chern-Simons theories in (2+1) dimensions, and non-abelian gauge theories in (2+1) and (3+1) dimensions. The results presented in this paper are relevant for the understanding of global properties of those theories. As a special byproduct we solve a long standing problem in (3+1)-dimensional Yang-Mills theory, namely the construction of conserved charges, valid for any solution, which are invariant under arbitrary gauge transformations.

Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2014-03-25

The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored in this paper by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the trainingmore » and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. Finally, the range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.« less

MO-G-17A-07: Improved Image Quality in Brain F-18 FDG PET Using Penalized-Likelihood Image Reconstruction Via a Generalized Preconditioned Alternating Projection Algorithm: The First Patient Results

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

Schmidtlein, CR; Beattie, B; Humm, J

2014-06-15

Purpose: To investigate the performance of a new penalized-likelihood PET image reconstruction algorithm using the 1{sub 1}-norm total-variation (TV) sum of the 1st through 4th-order gradients as the penalty. Simulated and brain patient data sets were analyzed. Methods: This work represents an extension of the preconditioned alternating projection algorithm (PAPA) for emission-computed tomography. In this new generalized algorithm (GPAPA), the penalty term is expanded to allow multiple components, in this case the sum of the 1st to 4th order gradients, to reduce artificial piece-wise constant regions (“staircase” artifacts typical for TV) seen in PAPA images penalized with only the 1stmore » order gradient. Simulated data were used to test for “staircase” artifacts and to optimize the penalty hyper-parameter in the root-mean-squared error (RMSE) sense. Patient FDG brain scans were acquired on a GE D690 PET/CT (370 MBq at 1-hour post-injection for 10 minutes) in time-of-flight mode and in all cases were reconstructed using resolution recovery projectors. GPAPA images were compared PAPA and RMSE-optimally filtered OSEM (fully converged) in simulations and to clinical OSEM reconstructions (3 iterations, 32 subsets) with 2.6 mm XYGaussian and standard 3-point axial smoothing post-filters. Results: The results from the simulated data show a significant reduction in the 'staircase' artifact for GPAPA compared to PAPA and lower RMSE (up to 35%) compared to optimally filtered OSEM. A simple power-law relationship between the RMSE-optimal hyper-parameters and the noise equivalent counts (NEC) per voxel is revealed. Qualitatively, the patient images appear much sharper and with less noise than standard clinical images. The convergence rate is similar to OSEM. Conclusions: GPAPA reconstructions using the 1{sub 1}-norm total-variation sum of the 1st through 4th-order gradients as the penalty show great promise for the improvement of image quality over that currently achieved with clinical OSEM reconstructions.« less

Apparent Negative Reflection with the Gradient Acoustic Metasurface by Integrating Supercell Periodicity into the Generalized Law of Reflection.

PubMed

Liu, Bingyi; Zhao, Wenyu; Jiang, Yongyuan

2016-12-05

As the two dimensional version of the functional wavefront manipulation metamaterial, metasurface has become a research hot spot for engineering the wavefront at will with a subwavelength thickness. The wave scattered by the gradient metasurface, which is composed by the periodic supercells, is governed by the generalized Snell's law. However, the critical angle that derived from the generalized Snell's law circles the domain of the incident angles that allow the occurrence of the anomalous reflection and refraction, and no free space scattering waves could exist when the incident angle is beyond the critical angle. Here we theoretically demonstrate that apparent negative reflection can be realized by a gradient acoustic metasurface when the incident angle is beyond the critical angle. The underlying mechanism of the apparent negative reflection is understood as the higher order diffraction arising from the interaction between the local phase modulation and the non-local effects introduced by the supercell periodicity. The apparent negative reflection phenomena has been perfectly verified by the calculated scattered acoustic waves of the reflected gradient acoustic metasurface. This work may provide new freedom in designing functional acoustic signal modulation devices, such as acoustic isolator and acoustic illusion device.

Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

PubMed

Wu, Wei; Wang, Jin

2013-09-28

We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is found to be a Lyapunov functional of the deterministic spatially dependent system. Therefore, the intrinsic potential landscape can characterize the global stability of the deterministic system. The relative entropy functional of the stochastic spatially dependent non-equilibrium system is found to be the Lyapunov functional of the stochastic dynamics of the system. Therefore, the relative entropy functional quantifies the global stability of the stochastic system with finite fluctuations. Our theory offers an alternative general approach to other field-theoretic techniques, to study the global stability and dynamics of spatially dependent non-equilibrium field systems. It can be applied to many physical, chemical, and biological spatially dependent non-equilibrium systems.

What are the Geophysical Fingerprints of hyper-extended Crustal Domains ?

NASA Astrophysics Data System (ADS)

Stanton, N.; Manatschal, G.; Maia, M.; Viana, A.; Tugend, J.; Autin, J.

2012-04-01

The Iberian margin is a well-studied region and presently the best tectonic setting for understanding the dynamic process of margin's formation and evolution. The world largest available dataset enabled to properly constrain the crustal structure and opened new paradigms for passive margins studies. Nevertheless, there are numerous remaining questions, as for example what is the spatial extent of continental inheritance along the margin and what is the role of fluids (serpentinization/magmatism) during margin's formation/deformation? The observation of a hyper-extended crustal domain, now also identified in other margins reveals the highly diverse nature of the crust along rifted margins. What are its physical properties and how do they change laterally? The aim of this study is to explore the physical signature of the serpentinized crust, which composes this hyper-extended domain, to identify the limits of the system and discuss its nature and importance. To investigate the lateral variation of crustal types we use integrated gravity, magnetic, seismic and available geological/well data. Transformations on the potential field data enable us to enhance the horizontal and vertical variations of the crust, and future forward modeling will provide a geological correlation for Iberia. The preliminary results showed that the transitional crust can be subdivided into two zones, regarding their different geophysical signatures: from the necking zone, the continent ward transitional crust displays decreasing gravity anomaly, low horizontal gradient and smooth magnetic anomalies; towards offshore (to the west of the J anomaly) the transitional crust is characterized by a semi-cyclic magnetic anomaly pattern, with increasing gravity, showing a stronger horizontal gradient and rough bathymetry. We associate this transitional domain with an embryonic oceanic type crust. Comparisons with other margins along the North Atlantic, despite the great spatial variation, reveals preliminarily that the hyper-extended crust at the non-volcanic Iberia Margin displays intrinsic characteristics distinct from the more volcanic transitional domains to the north. The physical properties of the different crustal types will be further modeled to properly constrain their characteristics. The final results shall enable us to identify the lateral transition between the different continental-transitional hydrated-oceanic crustal types and potentially would allow us to identify similar domains worldwide.

Perturbative Out of Equilibrium Quantum Field Theory beyond the Gradient Approximation and Generalized Boltzmann Equation

NASA Astrophysics Data System (ADS)

Ozaki, H.

2004-01-01

Using the closed-time-path formalism, we construct perturbative frameworks, in terms of quasiparticle picture, for studying quasiuniform relativistic quantum field systems near equilibrium and non-equilibrium quasistationary systems. We employ the derivative expansion and take in up to the second-order term, i.e., one-order higher than the gradient approximation. After constructing self-energy resummed propagator, we formulated two kinds of mutually equivalent perturbative frameworks: The first one is formulated on the basis of the ``bare'' number density function, and the second one is formulated on the basis of ``physical'' number density function. In the course of construction of the second framework, the generalized Boltzmann equations directly come out, which describe the evolution of the system.

Model fitting for small skin permeability data sets: hyperparameter optimisation in Gaussian Process Regression.

PubMed

Ashrafi, Parivash; Sun, Yi; Davey, Neil; Adams, Roderick G; Wilkinson, Simon C; Moss, Gary Patrick

2018-03-01

The aim of this study was to investigate how to improve predictions from Gaussian Process models by optimising the model hyperparameters. Optimisation methods, including Grid Search, Conjugate Gradient, Random Search, Evolutionary Algorithm and Hyper-prior, were evaluated and applied to previously published data. Data sets were also altered in a structured manner to reduce their size, which retained the range, or 'chemical space' of the key descriptors to assess the effect of the data range on model quality. The Hyper-prior Smoothbox kernel results in the best models for the majority of data sets, and they exhibited significantly better performance than benchmark quantitative structure-permeability relationship (QSPR) models. When the data sets were systematically reduced in size, the different optimisation methods generally retained their statistical quality, whereas benchmark QSPR models performed poorly. The design of the data set, and possibly also the approach to validation of the model, is critical in the development of improved models. The size of the data set, if carefully controlled, was not generally a significant factor for these models and that models of excellent statistical quality could be produced from substantially smaller data sets. © 2018 Royal Pharmaceutical Society.

Adolescent stalking and risk of violence.

PubMed

Smith-Darden, Joanne P; Reidy, Dennis E; Kernsmith, Poco D

2016-10-01

Stalking perpetration and the associated risk for violence among adolescents has generally been neglected. In the present study, 1236 youth completed surveys assessing empirically established stalking indicators, threats and aggression toward stalking victims, dating violence, and violent delinquency. Latent Profile Analysis identified 3 latent classes of boys: non-perpetrators (NP), hyper-intimate pursuit (HIP), and comprehensive stalking perpetrators (CSP) and, and 2 classes for girls: NP and HIP. Boys in the CSP class were the most violent youth on nearly all indices with boys in the HIP class demonstrating an intermediate level of violence compared to NP boys. Girls in the HIP class were more violent than NP girls on all indices. These findings suggest stalking in adolescence merits attention by violence prevention experts. In particular, juvenile stalking may signify youth at risk for multiple forms of violence perpetrated against multiple types of victims, not just the object of their infatuation. Copyright © 2016 The Foundation for Professionals in Services for Adolescents. Published by Elsevier Ltd. All rights reserved.

Computer Center: 2 HyperCard Stacks for Biology.

ERIC Educational Resources Information Center

Duhrkopf, Richard, Ed.

1989-01-01

Two Hypercard stacks are reviewed including "Amino Acids," created to help students associate amino acid names with their structures, and "DNA Teacher," a tutorial on the structure and function of DNA. Availability, functions, hardware requirements, and general comments on these stacks are provided. (CW)

Effect of Fluid Bypassing on the Experimentally Obtained Darcy and Non-Darcy Permeability Parameters of Ceramic Foam Filters

NASA Astrophysics Data System (ADS)

Akbarnejad, Shahin; Saffari Pour, Mohsen; Jonsson, Lage Tord Ingemar; Jönsson, Pӓr Göran

2017-02-01

Ceramic foam filters (CFFs) are used to remove solid particles and inclusions from molten metal. In general, molten metal which is poured on the top of a CFF needs to reach a certain height to build the required pressure (metal head) to prime the filter. To estimate the required metal head, it is necessary to obtain permeability coefficients using permeametry experiments. It has been mentioned in the literature that to avoid fluid bypassing, during permeametry, samples need to be sealed. However, the effect of fluid bypassing on the experimentally obtained pressure gradients seems not to be explored. Therefore, in this research, the focus was on studying the effect of fluid bypassing on the experimentally obtained pressure gradients as well as the empirically obtained Darcy and non-Darcy permeability coefficients. Specifically, the aim of the research was to investigate the effect of fluid bypassing on the liquid permeability of 30, 50, and 80 pores per inch (PPI) commercial alumina CFFs. In addition, the experimental data were compared to the numerically modeled findings. Both studies showed that no sealing results in extremely poor estimates of the pressure gradients and Darcy and non-Darcy permeability coefficients for all studied filters. The average deviations between the pressure gradients of the sealed and unsealed 30, 50, and 80 PPI samples were calculated to be 57.2, 56.8, and 61.3 pct. The deviations between the Darcy coefficients of the sealed and unsealed 30, 50, and 80 PPI samples found to be 9, 20, and 31 pct. The deviations between the non-Darcy coefficients of the sealed and unsealed 30, 50, and 80 PPI samples were calculated to be 59, 58, and 63 pct.

Quest for the Best Non-Cognitive Predictor of Academic Achievement

ERIC Educational Resources Information Center

Stankov, Lazar; Lee, Jihyun

2014-01-01

This is a review of five studies that reported new empirical data relevant for the predictability gradient hypothesis. This hypothesis is focused on within-person psychological variables typically collected in background questionnaires that examine the role of non-cognitive influences on students' academic achievement. Broad measures of…

Soil roughness, slope and surface storage relationship for impervious areas

NASA Astrophysics Data System (ADS)

Borselli, Lorenzo; Torri, Dino

2010-11-01

SummaryThe study of the relationships between surface roughness, local slope gradient and maximum volume of water storage in surface depressions is a fundamental element in the development of hydrological models to be used in soil and water conservation strategies. Good estimates of the maximum volume of water storage are important for runoff assessment during rainfall events. Some attempts to link surface storage to parameters such as indices of surface roughness and, more rarely, local gradient have been proposed by several authors with empirical equations often conflicting between them and usually based on a narrow range of slope gradients. This suggests care in selecting any of the proposed equations or models and invites one to verify the existence of more realistic experimental relationships, based on physical models of the surfaces and valid for a larger range of gradients. The aim of this study is to develop such a relation for predicting/estimating the maximum volume of water that a soil surface, with given roughness characteristics and local slope gradient, can store. Experimental work has been carried out in order to reproduce reliable rough surfaces able to maintain the following properties during the experimental activity: (a) impervious surface to avoid biased storage determination; (b) stable, un-erodible surfaces to avoid changes of retention volume during tests; (c) absence of hydrophobic behaviour. To meet the conditions a-c we generate physical surfaces with various roughness magnitude using plasticine (emulsion of non-expansible clay and oil). The plasticine surface, reproducing surfaces of arable soils, was then wetted and dirtied with a very fine timber sawdust. This reduced the natural hydrophobic behaviour of the plasticine to an undetectable value. Storage experiments were conducted with plasticine rough surfaces on top of large rigid polystyrene plates inclined at different slope gradient: 2%, 5%, 10%, 20%, 30%. Roughness data collected on the generated plasticine surfaces were successfully compared with roughness data collected on real soil surfaces for similar conditions. A set of roughness indices was computed for each surface using roughness profiles measured with a laser profile meter. Roughness indices included quantiles of the Abbot-Firestone curve, which is used in surface metrology for industrial application to characterize surface roughness in a non-parametric approach ( Whitehouse, 1994). Storage data were fitted with an empirical equation (double negative exponential of roughness and slope). Several roughness indices resulted well related to storage. The better results were obtained using the Abbot-Firestone curve parameter P100. Beside this storage empirical model (SEM) a geometrical model was also developed, trying to give a more physical basis to the result obtained so far. Depression geometry was approximated with spherical cups. A general physical model was derived (storage cup model - SCM). The cup approximation identifies where roughness elevation comes in and how it relates to slope gradient in defining depression volume. Moreover, the exponential decay used for assessing slope effect on storage volume in the empirical model of Eqs. (8) and (9) emerges as consistent with distribution of cup sizes.

Quantum corrections to non-Abelian SUSY theories on orbifolds

NASA Astrophysics Data System (ADS)

Groot Nibbelink, Stefan; Hillenbach, Mark

2006-07-01

We consider supersymmetric non-Abelian gauge theories coupled to hyper multiplets on five and six dimensional orbifolds, S/Z and T/Z, respectively. We compute the bulk and local fixed point renormalizations of the gauge couplings. To this end we extend supergraph techniques to these orbifolds by defining orbifold compatible delta functions. We develop their properties in detail. To cancel the bulk one-loop divergences the bulk gauge kinetic terms and dimension six higher derivative operators are required. The gauge couplings renormalize at the Z fixed points due to vector multiplet self interactions; the hyper multiplet renormalizes only non- Z fixed points. In 6D the Wess-Zumino-Witten term and a higher derivative analogue have to renormalize in the bulk as well to preserve 6D gauge invariance.

Exchange potential from the common energy denominator approximation for the Kohn-Sham Green's function: Application to (hyper)polarizabilities of molecular chains

NASA Astrophysics Data System (ADS)

Grüning, M.; Gritsenko, O. V.; Baerends, E. J.

2002-04-01

An approximate Kohn-Sham (KS) exchange potential vxσCEDA is developed, based on the common energy denominator approximation (CEDA) for the static orbital Green's function, which preserves the essential structure of the density response function. vxσCEDA is an explicit functional of the occupied KS orbitals, which has the Slater vSσ and response vrespσCEDA potentials as its components. The latter exhibits the characteristic step structure with "diagonal" contributions from the orbital densities |ψiσ|2, as well as "off-diagonal" ones from the occupied-occupied orbital products ψiσψj(≠1)σ*. Comparison of the results of atomic and molecular ground-state CEDA calculations with those of the Krieger-Li-Iafrate (KLI), exact exchange (EXX), and Hartree-Fock (HF) methods show, that both KLI and CEDA potentials can be considered as very good analytical "closure approximations" to the exact KS exchange potential. The total CEDA and KLI energies nearly coincide with the EXX ones and the corresponding orbital energies ɛiσ are rather close to each other for the light atoms and small molecules considered. The CEDA, KLI, EXX-ɛiσ values provide the qualitatively correct order of ionizations and they give an estimate of VIPs comparable to that of the HF Koopmans' theorem. However, the additional off-diagonal orbital structure of vxσCEDA appears to be essential for the calculated response properties of molecular chains. KLI already considerably improves the calculated (hyper)polarizabilities of the prototype hydrogen chains Hn over local density approximation (LDA) and standard generalized gradient approximations (GGAs), while the CEDA results are definitely an improvement over the KLI ones. The reasons of this success are the specific orbital structures of the CEDA and KLI response potentials, which produce in an external field an ultranonlocal field-counteracting exchange potential.

Apparent Negative Reflection with the Gradient Acoustic Metasurface by Integrating Supercell Periodicity into the Generalized Law of Reflection

PubMed Central

Liu, Bingyi; Zhao, Wenyu; Jiang, Yongyuan

2016-01-01

As the two dimensional version of the functional wavefront manipulation metamaterial, metasurface has become a research hot spot for engineering the wavefront at will with a subwavelength thickness. The wave scattered by the gradient metasurface, which is composed by the periodic supercells, is governed by the generalized Snell’s law. However, the critical angle that derived from the generalized Snell’s law circles the domain of the incident angles that allow the occurrence of the anomalous reflection and refraction, and no free space scattering waves could exist when the incident angle is beyond the critical angle. Here we theoretically demonstrate that apparent negative reflection can be realized by a gradient acoustic metasurface when the incident angle is beyond the critical angle. The underlying mechanism of the apparent negative reflection is understood as the higher order diffraction arising from the interaction between the local phase modulation and the non-local effects introduced by the supercell periodicity. The apparent negative reflection phenomena has been perfectly verified by the calculated scattered acoustic waves of the reflected gradient acoustic metasurface. This work may provide new freedom in designing functional acoustic signal modulation devices, such as acoustic isolator and acoustic illusion device. PMID:27917909

Enabling quaternion derivatives: the generalized HR calculus

PubMed Central

Xu, Dongpo; Jahanchahi, Cyrus; Took, Clive C.; Mandic, Danilo P.

2015-01-01

Quaternion derivatives exist only for a very restricted class of analytic (regular) functions; however, in many applications, functions of interest are real-valued and hence not analytic, a typical case being the standard real mean square error objective function. The recent HR calculus is a step forward and provides a way to calculate derivatives and gradients of both analytic and non-analytic functions of quaternion variables; however, the HR calculus can become cumbersome in complex optimization problems due to the lack of rigorous product and chain rules, a consequence of the non-commutativity of quaternion algebra. To address this issue, we introduce the generalized HR (GHR) derivatives which employ quaternion rotations in a general orthogonal system and provide the left- and right-hand versions of the quaternion derivative of general functions. The GHR calculus also solves the long-standing problems of product and chain rules, mean-value theorem and Taylor's theorem in the quaternion field. At the core of the proposed GHR calculus is quaternion rotation, which makes it possible to extend the principle to other functional calculi in non-commutative settings. Examples in statistical learning theory and adaptive signal processing support the analysis. PMID:26361555

Enabling quaternion derivatives: the generalized HR calculus.

PubMed

Xu, Dongpo; Jahanchahi, Cyrus; Took, Clive C; Mandic, Danilo P

2015-08-01

Quaternion derivatives exist only for a very restricted class of analytic (regular) functions; however, in many applications, functions of interest are real-valued and hence not analytic, a typical case being the standard real mean square error objective function. The recent HR calculus is a step forward and provides a way to calculate derivatives and gradients of both analytic and non-analytic functions of quaternion variables; however, the HR calculus can become cumbersome in complex optimization problems due to the lack of rigorous product and chain rules, a consequence of the non-commutativity of quaternion algebra. To address this issue, we introduce the generalized HR (GHR) derivatives which employ quaternion rotations in a general orthogonal system and provide the left- and right-hand versions of the quaternion derivative of general functions. The GHR calculus also solves the long-standing problems of product and chain rules, mean-value theorem and Taylor's theorem in the quaternion field. At the core of the proposed GHR calculus is quaternion rotation, which makes it possible to extend the principle to other functional calculi in non-commutative settings. Examples in statistical learning theory and adaptive signal processing support the analysis.

Non-Asymptotic Oracle Inequalities for the High-Dimensional Cox Regression via Lasso.

PubMed

Kong, Shengchun; Nan, Bin

2014-01-01

We consider finite sample properties of the regularized high-dimensional Cox regression via lasso. Existing literature focuses on linear models or generalized linear models with Lipschitz loss functions, where the empirical risk functions are the summations of independent and identically distributed (iid) losses. The summands in the negative log partial likelihood function for censored survival data, however, are neither iid nor Lipschitz.We first approximate the negative log partial likelihood function by a sum of iid non-Lipschitz terms, then derive the non-asymptotic oracle inequalities for the lasso penalized Cox regression using pointwise arguments to tackle the difficulties caused by lacking iid Lipschitz losses.

Non-Asymptotic Oracle Inequalities for the High-Dimensional Cox Regression via Lasso

PubMed Central

Kong, Shengchun; Nan, Bin

2013-01-01

We consider finite sample properties of the regularized high-dimensional Cox regression via lasso. Existing literature focuses on linear models or generalized linear models with Lipschitz loss functions, where the empirical risk functions are the summations of independent and identically distributed (iid) losses. The summands in the negative log partial likelihood function for censored survival data, however, are neither iid nor Lipschitz.We first approximate the negative log partial likelihood function by a sum of iid non-Lipschitz terms, then derive the non-asymptotic oracle inequalities for the lasso penalized Cox regression using pointwise arguments to tackle the difficulties caused by lacking iid Lipschitz losses. PMID:24516328

Spectral characterization and calibration of AOTF spectrometers and hyper-spectral imaging system

NASA Astrophysics Data System (ADS)

Katrašnik, Jaka; Pernuš, Franjo; Likar, Boštjan

2010-02-01

The goal of this article is to present a novel method for spectral characterization and calibration of spectrometers and hyper-spectral imaging systems based on non-collinear acousto-optical tunable filters. The method characterizes the spectral tuning curve (frequency-wavelength characteristic) of the AOTF (Acousto-Optic Tunable Filter) filter by matching the acquired and modeled spectra of the HgAr calibration lamp, which emits line spectrum that can be well modeled via AOTF transfer function. In this way, not only tuning curve characterization and corresponding spectral calibration but also spectral resolution assessment is performed. The obtained results indicated that the proposed method is efficient, accurate and feasible for routine calibration of AOTF spectrometers and hyper-spectral imaging systems and thereby a highly competitive alternative to the existing calibration methods.

Generalized Wall Function for Complex Turbulent Flows

NASA Technical Reports Server (NTRS)

Shih, Tsan-Hsing; Povinelli, Louis A.; Liu, Nan-Suey; Chen, Kuo-Huey

2000-01-01

A generalized wall function was proposed by Shih et al., (1999). It accounts the effect of pressure gradients on the flow near the wall. Theory shows that the effect of pressure gradients on the flow in the inertial sublayer is very significant and the standard wall function should be replaced by a generalized wall function. Since the theory is also valid for boundary layer flows toward separation, the generalized wall function may be applied to complex turbulent flows with acceleration, deceleration, separation and recirculation. This paper is to verify the generalized wall function with numerical simulations for boundary layer flows with various adverse and favorable pressure gradients, including flows about to separate. Furthermore, a general procedure of implementation of the generalized wall function for National Combustion Code (NCC) is described, it can be applied to both structured and unstructured CFD codes.

Probable alpha and 14C cluster emission from hyper Ac nuclei

NASA Astrophysics Data System (ADS)

Santhosh, K. P.

2013-10-01

A systematic study on the probability for the emission of 4He and 14C cluster from hyper {Λ/207-234}Ac and non-strange normal 207-234Ac nuclei are performed for the first time using our fission model, the Coulomb and proximity potential model (CPPM). The predicted half lives show that hyper {Λ/207-234}Ac nuclei are unstable against 4He emission and 14C emission from hyper {Λ/217-228}Ac are favorable for measurement. Our study also show that hyper {Λ/207-234}Ac are stable against hyper {Λ/4}He and {Λ/14}C emission. The role of neutron shell closure ( N = 126) in hyper {Λ/214}Fr daughter and role of proton/neutron shell closure ( Z ≈ 82, N = 126) in hyper {Λ/210}Bi daughter are also revealed. As hyper-nuclei decays to normal nuclei by mesonic/non-mesonic decay and since most of the predicted half lives for 4He and 14C emission from normal Ac nuclei are favourable for measurement, we presume that alpha and 14C cluster emission from hyper Ac nuclei can be detected in laboratory in a cascade (two-step) process.

Globally efficient non-parametric inference of average treatment effects by empirical balancing calibration weighting

PubMed Central

Chan, Kwun Chuen Gary; Yam, Sheung Chi Phillip; Zhang, Zheng

2015-01-01

Summary The estimation of average treatment effects based on observational data is extremely important in practice and has been studied by generations of statisticians under different frameworks. Existing globally efficient estimators require non-parametric estimation of a propensity score function, an outcome regression function or both, but their performance can be poor in practical sample sizes. Without explicitly estimating either functions, we consider a wide class calibration weights constructed to attain an exact three-way balance of the moments of observed covariates among the treated, the control, and the combined group. The wide class includes exponential tilting, empirical likelihood and generalized regression as important special cases, and extends survey calibration estimators to different statistical problems and with important distinctions. Global semiparametric efficiency for the estimation of average treatment effects is established for this general class of calibration estimators. The results show that efficiency can be achieved by solely balancing the covariate distributions without resorting to direct estimation of propensity score or outcome regression function. We also propose a consistent estimator for the efficient asymptotic variance, which does not involve additional functional estimation of either the propensity score or the outcome regression functions. The proposed variance estimator outperforms existing estimators that require a direct approximation of the efficient influence function. PMID:27346982

Globally efficient non-parametric inference of average treatment effects by empirical balancing calibration weighting.

PubMed

Chan, Kwun Chuen Gary; Yam, Sheung Chi Phillip; Zhang, Zheng

2016-06-01

The estimation of average treatment effects based on observational data is extremely important in practice and has been studied by generations of statisticians under different frameworks. Existing globally efficient estimators require non-parametric estimation of a propensity score function, an outcome regression function or both, but their performance can be poor in practical sample sizes. Without explicitly estimating either functions, we consider a wide class calibration weights constructed to attain an exact three-way balance of the moments of observed covariates among the treated, the control, and the combined group. The wide class includes exponential tilting, empirical likelihood and generalized regression as important special cases, and extends survey calibration estimators to different statistical problems and with important distinctions. Global semiparametric efficiency for the estimation of average treatment effects is established for this general class of calibration estimators. The results show that efficiency can be achieved by solely balancing the covariate distributions without resorting to direct estimation of propensity score or outcome regression function. We also propose a consistent estimator for the efficient asymptotic variance, which does not involve additional functional estimation of either the propensity score or the outcome regression functions. The proposed variance estimator outperforms existing estimators that require a direct approximation of the efficient influence function.

Mean Excess Function as a method of identifying sub-exponential tails: Application to extreme daily rainfall

NASA Astrophysics Data System (ADS)

Nerantzaki, Sofia; Papalexiou, Simon Michael

2017-04-01

Identifying precisely the distribution tail of a geophysical variable is tough, or, even impossible. First, the tail is the part of the distribution for which we have the less empirical information available; second, a universally accepted definition of tail does not and cannot exist; and third, a tail may change over time due to long-term changes. Unfortunately, the tail is the most important part of the distribution as it dictates the estimates of exceedance probabilities or return periods. Fortunately, based on their tail behavior, probability distributions can be generally categorized into two major families, i.e., sub-exponentials (heavy-tailed) and hyper-exponentials (light-tailed). This study aims to update the Mean Excess Function (MEF), providing a useful tool in order to asses which type of tail better describes empirical data. The MEF is based on the mean value of a variable over a threshold and results in a zero slope regression line when applied for the Exponential distribution. Here, we construct slope confidence intervals for the Exponential distribution as functions of sample size. The validation of the method using Monte Carlo techniques on four theoretical distributions covering major tail cases (Pareto type II, Log-normal, Weibull and Gamma) revealed that it performs well especially for large samples. Finally, the method is used to investigate the behavior of daily rainfall extremes; thousands of rainfall records were examined, from all over the world and with sample size over 100 years, revealing that heavy-tailed distributions can describe more accurately rainfall extremes.

Controlling chimeras

NASA Astrophysics Data System (ADS)

Bick, Christian; Martens, Erik A.

2015-03-01

Coupled phase oscillators model a variety of dynamical phenomena in nature and technological applications. Non-local coupling gives rise to chimera states which are characterized by a distinct part of phase-synchronized oscillators while the remaining ones move incoherently. Here, we apply the idea of control to chimera states: using gradient dynamics to exploit drift of a chimera, it will attain any desired target position. Through control, chimera states become functionally relevant; for example, the controlled position of localized synchrony may encode information and perform computations. Since functional aspects are crucial in (neuro-)biology and technology, the localized synchronization of a chimera state becomes accessible to develop novel applications. Based on gradient dynamics, our control strategy applies to any suitable observable and can be generalized to arbitrary dimensions. Thus, the applicability of chimera control goes beyond chimera states in non-locally coupled systems.

a Fractal Permeability Model Coupling Boundary-Layer Effect for Tight Oil Reservoirs

NASA Astrophysics Data System (ADS)

Wang, Fuyong; Liu, Zhichao; Jiao, Liang; Wang, Congle; Guo, Hu

A fractal permeability model coupling non-flowing boundary-layer effect for tight oil reservoirs was proposed. Firstly, pore structures of tight formations were characterized with fractal theory. Then, with the empirical equation of boundary-layer thickness, Hagen-Poiseuille equation and fractal theory, a fractal torturous capillary tube model coupled with boundary-layer effect was developed, and verified with experimental data. Finally, the parameters influencing effective liquid permeability were quantitatively investigated. The research results show that effective liquid permeability of tight formations is not only decided by pore structures, but also affected by boundary-layer distributions, and effective liquid permeability is the function of fluid type, fluid viscosity, pressure gradient, fractal dimension, tortuosity fractal dimension, minimum pore radius and maximum pore radius. For the tight formations dominated with nanoscale pores, boundary-layer effect can significantly reduce effective liquid permeability, especially under low pressure gradient.

Shape optimization using a NURBS-based interface-enriched generalized FEM

DOE PAGES

Najafi, Ahmad R.; Safdari, Masoud; Tortorelli, Daniel A.; ...

2016-11-26

This study presents a gradient-based shape optimization over a fixed mesh using a non-uniform rational B-splines-based interface-enriched generalized finite element method, applicable to multi-material structures. In the proposed method, non-uniform rational B-splines are used to parameterize the design geometry precisely and compactly by a small number of design variables. An analytical shape sensitivity analysis is developed to compute derivatives of the objective and constraint functions with respect to the design variables. Subtle but important new terms involve the sensitivity of shape functions and their spatial derivatives. As a result, verification and illustrative problems are solved to demonstrate the precision andmore » capability of the method.« less

Stacking dependence of carrier transport properties in multilayered black phosphorous

NASA Astrophysics Data System (ADS)

Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.

2016-02-01

We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

Application of the Hyper-Poisson Generalized Linear Model for Analyzing Motor Vehicle Crashes.

PubMed

Khazraee, S Hadi; Sáez-Castillo, Antonio Jose; Geedipally, Srinivas Reddy; Lord, Dominique

2015-05-01

The hyper-Poisson distribution can handle both over- and underdispersion, and its generalized linear model formulation allows the dispersion of the distribution to be observation-specific and dependent on model covariates. This study's objective is to examine the potential applicability of a newly proposed generalized linear model framework for the hyper-Poisson distribution in analyzing motor vehicle crash count data. The hyper-Poisson generalized linear model was first fitted to intersection crash data from Toronto, characterized by overdispersion, and then to crash data from railway-highway crossings in Korea, characterized by underdispersion. The results of this study are promising. When fitted to the Toronto data set, the goodness-of-fit measures indicated that the hyper-Poisson model with a variable dispersion parameter provided a statistical fit as good as the traditional negative binomial model. The hyper-Poisson model was also successful in handling the underdispersed data from Korea; the model performed as well as the gamma probability model and the Conway-Maxwell-Poisson model previously developed for the same data set. The advantages of the hyper-Poisson model studied in this article are noteworthy. Unlike the negative binomial model, which has difficulties in handling underdispersed data, the hyper-Poisson model can handle both over- and underdispersed crash data. Although not a major issue for the Conway-Maxwell-Poisson model, the effect of each variable on the expected mean of crashes is easily interpretable in the case of this new model. © 2014 Society for Risk Analysis.

Learning Incoherent Sparse and Low-Rank Patterns from Multiple Tasks

PubMed Central

Chen, Jianhui; Liu, Ji; Ye, Jieping

2013-01-01

We consider the problem of learning incoherent sparse and low-rank patterns from multiple tasks. Our approach is based on a linear multi-task learning formulation, in which the sparse and low-rank patterns are induced by a cardinality regularization term and a low-rank constraint, respectively. This formulation is non-convex; we convert it into its convex surrogate, which can be routinely solved via semidefinite programming for small-size problems. We propose to employ the general projected gradient scheme to efficiently solve such a convex surrogate; however, in the optimization formulation, the objective function is non-differentiable and the feasible domain is non-trivial. We present the procedures for computing the projected gradient and ensuring the global convergence of the projected gradient scheme. The computation of projected gradient involves a constrained optimization problem; we show that the optimal solution to such a problem can be obtained via solving an unconstrained optimization subproblem and an Euclidean projection subproblem. We also present two projected gradient algorithms and analyze their rates of convergence in details. In addition, we illustrate the use of the presented projected gradient algorithms for the proposed multi-task learning formulation using the least squares loss. Experimental results on a collection of real-world data sets demonstrate the effectiveness of the proposed multi-task learning formulation and the efficiency of the proposed projected gradient algorithms. PMID:24077658

Learning Incoherent Sparse and Low-Rank Patterns from Multiple Tasks.

PubMed

Chen, Jianhui; Liu, Ji; Ye, Jieping

2012-02-01

We consider the problem of learning incoherent sparse and low-rank patterns from multiple tasks. Our approach is based on a linear multi-task learning formulation, in which the sparse and low-rank patterns are induced by a cardinality regularization term and a low-rank constraint, respectively. This formulation is non-convex; we convert it into its convex surrogate, which can be routinely solved via semidefinite programming for small-size problems. We propose to employ the general projected gradient scheme to efficiently solve such a convex surrogate; however, in the optimization formulation, the objective function is non-differentiable and the feasible domain is non-trivial. We present the procedures for computing the projected gradient and ensuring the global convergence of the projected gradient scheme. The computation of projected gradient involves a constrained optimization problem; we show that the optimal solution to such a problem can be obtained via solving an unconstrained optimization subproblem and an Euclidean projection subproblem. We also present two projected gradient algorithms and analyze their rates of convergence in details. In addition, we illustrate the use of the presented projected gradient algorithms for the proposed multi-task learning formulation using the least squares loss. Experimental results on a collection of real-world data sets demonstrate the effectiveness of the proposed multi-task learning formulation and the efficiency of the proposed projected gradient algorithms.

HyperCard--A Science Teaching Tool.

ERIC Educational Resources Information Center

Parker, Carol

1992-01-01

Discussion of new technological resources available for science instruction focuses on the use of the HyperCard software for the Macintosh to design customized materials. Topics addressed include general features of HyperCard, designing HyperCard stacks, graphics, and designing buttons (i.e., links for moving through the stacks). Several sample…

Vector calculus in non-integer dimensional space and its applications to fractal media

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-02-01

We suggest a generalization of vector calculus for the case of non-integer dimensional space. The first and second orders operations such as gradient, divergence, the scalar and vector Laplace operators for non-integer dimensional space are defined. For simplification we consider scalar and vector fields that are independent of angles. We formulate a generalization of vector calculus for rotationally covariant scalar and vector functions. This generalization allows us to describe fractal media and materials in the framework of continuum models with non-integer dimensional space. As examples of application of the suggested calculus, we consider elasticity of fractal materials (fractal hollow ball and fractal cylindrical pipe with pressure inside and outside), steady distribution of heat in fractal media, electric field of fractal charged cylinder. We solve the correspondent equations for non-integer dimensional space models.

Stochastic Spectral Descent for Discrete Graphical Models

DOE PAGES

Carlson, David; Hsieh, Ya-Ping; Collins, Edo; ...

2015-12-14

Interest in deep probabilistic graphical models has in-creased in recent years, due to their state-of-the-art performance on many machine learning applications. Such models are typically trained with the stochastic gradient method, which can take a significant number of iterations to converge. Since the computational cost of gradient estimation is prohibitive even for modestly sized models, training becomes slow and practically usable models are kept small. In this paper we propose a new, largely tuning-free algorithm to address this problem. Our approach derives novel majorization bounds based on the Schatten- norm. Intriguingly, the minimizers of these bounds can be interpreted asmore » gradient methods in a non-Euclidean space. We thus propose using a stochastic gradient method in non-Euclidean space. We both provide simple conditions under which our algorithm is guaranteed to converge, and demonstrate empirically that our algorithm leads to dramatically faster training and improved predictive ability compared to stochastic gradient descent for both directed and undirected graphical models.« less

Responses of leaf traits to climatic gradients: adaptive variation versus compositional shifts

NASA Astrophysics Data System (ADS)

Meng, T.-T.; Wang, H.; Harrison, S. P.; Prentice, I. C.; Ni, J.; Wang, G.

2015-09-01

Dynamic global vegetation models (DGVMs) typically rely on plant functional types (PFTs), which are assigned distinct environmental tolerances and replace one another progressively along environmental gradients. Fixed values of traits are assigned to each PFT; modelled trait variation along gradients is thus driven by PFT replacement. But empirical studies have revealed "universal" scaling relationships (quantitative trait variations with climate that are similar within and between species, PFTs and communities); and continuous, adaptive trait variation has been proposed to replace PFTs as the basis for next-generation DGVMs. Here we analyse quantitative leaf-trait variation on long temperature and moisture gradients in China with a view to understanding the relative importance of PFT replacement vs. continuous adaptive variation within PFTs. Leaf area (LA), specific leaf area (SLA), leaf dry matter content (LDMC) and nitrogen content of dry matter were measured on all species at 80 sites ranging from temperate to tropical climates and from dense forests to deserts. Chlorophyll fluorescence traits and carbon, phosphorus and potassium contents were measured at 47 sites. Generalized linear models were used to relate log-transformed trait values to growing-season temperature and moisture indices, with or without PFT identity as a predictor, and to test for differences in trait responses among PFTs. Continuous trait variation was found to be ubiquitous. Responses to moisture availability were generally similar within and between PFTs, but biophysical traits (LA, SLA and LDMC) of forbs and grasses responded differently from woody plants. SLA and LDMC responses to temperature were dominated by the prevalence of evergreen PFTs with thick, dense leaves at the warm end of the gradient. Nutrient (N, P and K) responses to climate gradients were generally similar within all PFTs. Area-based nutrients generally declined with moisture; Narea and Karea declined with temperature, but Parea increased with temperature. Although the adaptive nature of many of these trait-climate relationships is understood qualitatively, a key challenge for modelling is to predict them quantitatively. Models must take into account that community-level responses to climatic gradients can be influenced by shifts in PFT composition, such as the replacement of deciduous by evergreen trees, which may run either parallel or counter to trait variation within PFTs. The importance of PFT shifts varies among traits, being important for biophysical traits but less so for physiological and chemical traits. Finally, models should take account of the diversity of trait values that is found in all sites and PFTs, representing the "pool" of variation that is locally available for the natural adaptation of ecosystem function to environmental change.

Average-atom model for two-temperature states and ionic transport properties of aluminum in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Hou, Yong; Fu, Yongsheng; Bredow, Richard; Kang, Dongdong; Redmer, Ronald; Yuan, Jianmin

2017-03-01

The average-atom model combined with the hyper-netted chain approximation is an efficient tool for electronic and ionic structure calculations for warm dense matter. Here we generalize this method in order to describe non-equilibrium states with different electron and ion temperature as produced in laser-matter interactions on ultra-short time scales. In particular, the electron-ion and ion-ion correlation effects are considered when calculating the electron structure. We derive an effective ion-ion pair-potential using the electron densities in the framework of temperature-depended density functional theory. Using this ion-ion potential we perform molecular dynamics simulations in order to determine the ionic transport properties such as the ionic diffusion coefficient and the shear viscosity through the ionic velocity autocorrelation functions.

A hyper-robust sauropodomorph dinosaur ilium from the Upper Triassic-Lower Jurassic Elliot Formation of South Africa: Implications for the functional diversity of basal Sauropodomorpha

NASA Astrophysics Data System (ADS)

McPhee, Blair W.; Choiniere, Jonah N.

2016-11-01

It has generally been held that the locomotory habits of sauropodomorph dinosaurs moved in a relatively linear evolutionary progression from bipedal through "semi-bipedal" to the fully quadrupedal gait of Sauropoda. However, there is now a growing appreciation of the range of locomotory strategies practiced amongst contemporaneous taxa of the latest Triassic and earliest Jurassic. Here we present on the anatomy of a hyper-robust basal sauropodomorph ilium from the Late Triassic-Early Jurassic Elliot Formation of South Africa. This element, in addition to highlighting the unexpected range of bauplan diversity throughout basal Sauropodomorpha, also has implications for our understanding of the relevance of "robusticity" to sauropodomorph evolution beyond generalized limb scaling relationships. Possibly representing a unique form of hindlimb stabilization during phases of bipedal locomotion, the autapomorphic morphology of this newly rediscovered ilium provides additional insight into the myriad ways in which basal Sauropodomorpha managed the inherited behavioural and biomechanical challenges of increasing body-size, hyper-herbivory, and a forelimb primarily adapted for use in a bipedal context.

Out-of-Sample Extensions for Non-Parametric Kernel Methods.

PubMed

Pan, Binbin; Chen, Wen-Sheng; Chen, Bo; Xu, Chen; Lai, Jianhuang

2017-02-01

Choosing suitable kernels plays an important role in the performance of kernel methods. Recently, a number of studies were devoted to developing nonparametric kernels. Without assuming any parametric form of the target kernel, nonparametric kernel learning offers a flexible scheme to utilize the information of the data, which may potentially characterize the data similarity better. The kernel methods using nonparametric kernels are referred to as nonparametric kernel methods. However, many nonparametric kernel methods are restricted to transductive learning, where the prediction function is defined only over the data points given beforehand. They have no straightforward extension for the out-of-sample data points, and thus cannot be applied to inductive learning. In this paper, we show how to make the nonparametric kernel methods applicable to inductive learning. The key problem of out-of-sample extension is how to extend the nonparametric kernel matrix to the corresponding kernel function. A regression approach in the hyper reproducing kernel Hilbert space is proposed to solve this problem. Empirical results indicate that the out-of-sample performance is comparable to the in-sample performance in most cases. Experiments on face recognition demonstrate the superiority of our nonparametric kernel method over the state-of-the-art parametric kernel methods.

A general approach-avoidance hypothesis of oxytocin: accounting for social and non-social effects of oxytocin.

PubMed

Harari-Dahan, Osnat; Bernstein, Amit

2014-11-01

We critically reexamine extant theory and empirical study of Oxytocin. We question whether OT is, in fact, a "social neuropeptide" as argued in dominant theories of OT. We critically review human and animal research on the social and non-social effects of Oxytocin, including behavioral, psychophysiological, neurobiological, and neuroimaging studies. We find that extant (social) theories of Oxytocin do not account for well-documented non-social effects of Oxytocin. Furthermore, we find a range of evidence that social and non-social effects of Oxytocin may be mediated by core approach-avoidance motivational processes. We propose a General Approach-avoidance Hypothesis of Oxytocin (GAAO). We argue that the GAAO may provide a parsimonious account of established social and non-social effects of Oxytocin. We thus re-conceptualize the basic function(s) and mechanism(s) of action of Oxytocin. Finally, we highlight implications of the GAAO for basic and clinical research in humans

Amygdala Reactivity to Emotional Faces in the Prediction of General and Medication-Specific Responses to Antidepressant Treatment in the Randomized iSPOT-D Trial.

PubMed

Williams, Leanne M; Korgaonkar, Mayuresh S; Song, Yun C; Paton, Rebecca; Eagles, Sarah; Goldstein-Piekarski, Andrea; Grieve, Stuart M; Harris, Anthony W F; Usherwood, Tim; Etkin, Amit

2015-09-01

Although the cost of poor treatment outcomes of depression is staggering, we do not yet have clinically useful methods for selecting the most effective antidepressant for each depressed person. Emotional brain activation is altered in major depressive disorder (MDD) and implicated in treatment response. Identifying which aspects of emotional brain activation are predictive of general and specific responses to antidepressants may help clinicians and patients when making treatment decisions. We examined whether amygdala activation probed by emotion stimuli is a general or differential predictor of response to three commonly prescribed antidepressants, using functional magnetic resonance imaging (fMRI). A test-retest design was used to assess patients with MDD in an academic setting as part of the International Study to Predict Optimized Treatment in Depression. A total of 80 MDD outpatients were scanned prior to treatment and 8 weeks after randomization to the selective serotonin reuptake inhibitors escitalopram and sertraline and the serotonin-norepinephrine reuptake inhibitor, venlafaxine-extended release (XR). A total of 34 matched controls were scanned at the same timepoints. We quantified the blood oxygen level-dependent signal of the amygdala during subliminal and supraliminal viewing of facial expressions of emotion. Response to treatment was defined by ⩾50% symptom improvement on the 17-item Hamilton Depression Rating Scale. Pre-treatment amygdala hypo-reactivity to subliminal happy and threat was a general predictor of treatment response, regardless of medication type (Cohen's d effect size 0.63 to 0.77; classification accuracy, 75%). Responders showed hypo-reactivity compared to controls at baseline, and an increase toward 'normalization' post-treatment. Pre-treatment amygdala reactivity to subliminal sadness was a differential moderator of non-response to venlafaxine-XR (Cohen's d effect size 1.5; classification accuracy, 81%). Non-responders to venlafaxine-XR showed pre-treatment hyper-reactivity, which progressed to hypo-reactivity rather than normalization post-treatment, and hypo-reactivity post-treatment was abnormal compared to controls. Impaired amygdala activation has not previously been highlighted in the general vs differential prediction of antidepressant outcomes. Amygdala hypo-reactivity to emotions signaling reward and threat predicts the general capacity to respond to antidepressants. Amygdala hyper-reactivity to sad emotion is involved in a specific non-response to a serotonin-norepinephrine reuptake inhibitor. The findings suggest amygdala probes may help inform the personal selection of antidepressant treatments.

Hyper-mobility of water around actin filaments revealed using pulse-field gradient spin-echo {sup 1}H NMR and fluorescence spectroscopy

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

Wazawa, Tetsuichi; CREST, JST, 4-1-8, Honcho, Kawaguchi, Saitama 332-0012; Sagawa, Takashi

2011-01-28

Research highlights: {yields} Translationally hyper-mobile water has been detected around actin filaments. {yields} Translationally hyper-mobile water is formed upon polymerization of actin. {yields} Low water viscosity was found around F-actin using fluorescence anisotropy. {yields} Formation of hyper-mobile water may explain endothermic actin polymerization. -- Abstract: This paper reports that water molecules around F-actin, a polymerized form of actin, are more mobile than those around G-actin or in bulk water. A measurement using pulse-field gradient spin-echo {sup 1}H NMR showed that the self-diffusion coefficient of water in aqueous F-actin solution increased with actin concentration by {approx}5%, whereas that in G-actin solutionmore » was close to that of pure water. This indicates that an F-actin/water interaction is responsible for the high self-diffusion of water. The local viscosity around actin was also investigated by fluorescence measurements of Cy3, a fluorescent dye, conjugated to Cys 374 of actin. The steady-state fluorescence anisotropy of Cy3 attached to F-actin was 0.270, which was lower than that for G-actin, 0.334. Taking into account the fluorescence lifetimes of the Cy3 bound to actin, their rotational correlation times were estimated to be 3.8 and 9.1 ns for F- and G-actin, respectively. This indicates that Cy3 bound to F-actin rotates more freely than that bound to G-actin, and therefore the local water viscosity is lower around F-actin than around G-actin.« less

Color image encryption based on hybrid hyper-chaotic system and cellular automata

NASA Astrophysics Data System (ADS)

Yaghouti Niyat, Abolfazl; Moattar, Mohammad Hossein; Niazi Torshiz, Masood

2017-03-01

This paper proposes an image encryption scheme based on Cellular Automata (CA). CA is a self-organizing structure with a set of cells in which each cell is updated by certain rules that are dependent on a limited number of neighboring cells. The major disadvantages of cellular automata in cryptography include limited number of reversal rules and inability to produce long sequences of states by these rules. In this paper, a non-uniform cellular automata framework is proposed to solve this problem. This proposed scheme consists of confusion and diffusion steps. In confusion step, the positions of the original image pixels are replaced by chaos mapping. Key image is created using non-uniform cellular automata and then the hyper-chaotic mapping is used to select random numbers from the image key for encryption. The main contribution of the paper is the application of hyper chaotic functions and non-uniform CA for robust key image generation. Security analysis and experimental results show that the proposed method has a very large key space and is resistive against noise and attacks. The correlation between adjacent pixels in the encrypted image is reduced and the amount of entropy is equal to 7.9991 which is very close to 8 which is ideal.

Optical properties and progressive sterical hindering in pyridinium phenoxides

NASA Astrophysics Data System (ADS)

Boeglin, A.; Barsella, A.; Fort, A.; Mançois, F.; Rodriguez, V.; Diemer, V.; Chaumeil, H.; Defoin, A.; Jacques, P.; Carré, C.

2007-07-01

Pyridinium phenoxides are model compounds associating large dipole moments with high optical nonlinearities. A progression of sterically hindered forms of such zwitterions has been synthesized in order to investigate their structure/property relationships. Their UV-vis absorption in acetonitrile has been analyzed as a function of concentration in order to assess the presence of aggregates and the level of protonation. The quadratic optical properties have been measured by the EFISH and hyper-Rayleigh techniques and are interpreted via semi-empirical calculations. The solvation model used leads to results that agree with our experimental findings indicating an increased response for intermediate twist angles.

HyperART: non-invasive quantification of leaf traits using hyperspectral absorption-reflectance-transmittance imaging.

PubMed

Bergsträsser, Sergej; Fanourakis, Dimitrios; Schmittgen, Simone; Cendrero-Mateo, Maria Pilar; Jansen, Marcus; Scharr, Hanno; Rascher, Uwe

2015-01-01

Combined assessment of leaf reflectance and transmittance is currently limited to spot (point) measurements. This study introduces a tailor-made hyperspectral absorption-reflectance-transmittance imaging (HyperART) system, yielding a non-invasive determination of both reflectance and transmittance of the whole leaf. We addressed its applicability for analysing plant traits, i.e. assessing Cercospora beticola disease severity or leaf chlorophyll content. To test the accuracy of the obtained data, these were compared with reflectance and transmittance measurements of selected leaves acquired by the point spectroradiometer ASD FieldSpec, equipped with the FluoWat device. The working principle of the HyperART system relies on the upward redirection of transmitted and reflected light (range of 400 to 2500 nm) of a plant sample towards two line scanners. By using both the reflectance and transmittance image, an image of leaf absorption can be calculated. The comparison with the dynamically high-resolution ASD FieldSpec data showed good correlation, underlying the accuracy of the HyperART system. Our experiments showed that variation in both leaf chlorophyll content of four different crop species, due to different fertilization regimes during growth, and fungal symptoms on sugar beet leaves could be accurately estimated and monitored. The use of leaf reflectance and transmittance, as well as their sum (by which the non-absorbed radiation is calculated) obtained by the HyperART system gave considerably improved results in classification of Cercospora leaf spot disease and determination of chlorophyll content. The HyperART system offers the possibility for non-invasive and accurate mapping of leaf transmittance and absorption, significantly expanding the applicability of reflectance, based on mapping spectroscopy, in plant sciences. Therefore, the HyperART system may be readily employed for non-invasive determination of the spatio-temporal dynamics of various plant properties.

Distribution of greenhouse gases in hyper-arid and arid areas of northern Chile and the contribution of the high altitude wetland microbiome (Salar de Huasco, Chile).

PubMed

Molina, Verónica; Eissler, Yoanna; Cornejo, Marcela; Galand, Pierre E; Dorador, Cristina; Hengst, Martha; Fernandez, Camila; Francois, Jean Pierre

2018-04-06

Northern Chile harbors different bioclimatic zones including hyper-arid and arid ecosystems and hotspots of microbial life, such as high altitude wetlands, which may contribute differentially to greenhouse gases (GHG) such as carbon dioxide (CO 2 ), methane (CH 4 ) and nitrous oxide (N 2 O). In this study, we explored ground level GHG distribution and the potential role of a wetland situated at 3800 m.a.s.l, and characterized by high solar radiation < 1600 W m -2 , extreme temperature ranges (-12 to 24 °C) and wind stress (< 17 m s -1 ). The water source of the wetland is mainly groundwater springs, which generates streams and ponds surrounded by peatlands. These sites support a rich microbial aquatic life including diverse bacteria and archaea communities, which transiently form more complex structures, such as microbial mats. In this study, GHG were measured in the water and above ground level air at the wetland site and along an elevation gradient in different bioclimatic areas from arid to hyper-arid zones. The microbiome from the water and sediments was described by high-throughput sequencing 16S rRNA and rDNA genes. The results indicate that GHG at ground level were variable along the elevation gradient potentially associated with different bioclimatic zones, reaching high values at the high Andean steppe and variable but lower values in the Atacama Desert and at the wetland. The water areas of the wetland presented high concentrations of CH 4 and CO 2 , particularly at the spring areas and in air bubbles below microbial mats. The microbial community was rich (> 40 phyla), including archaea and bacteria potentially active in the different matrices studied (water, sediments and mats). Functional microbial groups associated with GHG recycling were detected at low frequency, i.e., < 2.5% of total sequences. Our results indicate that hyper-arid and arid areas of northern Chile are sites of GHG exchange associated with various bioclimatic zones and particularly in aquatic areas of the wetland where this ecosystem could represent a net sink of N 2 O and a source for CH 4 and CO 2 .

Justifying quasiparticle self-consistent schemes via gradient optimization in Baym-Kadanoff theory.

PubMed

Ismail-Beigi, Sohrab

2017-09-27

The question of which non-interacting Green's function 'best' describes an interacting many-body electronic system is both of fundamental interest as well as of practical importance in describing electronic properties of materials in a realistic manner. Here, we study this question within the framework of Baym-Kadanoff theory, an approach where one locates the stationary point of a total energy functional of the one-particle Green's function in order to find the total ground-state energy as well as all one-particle properties such as the density matrix, chemical potential, or the quasiparticle energy spectrum and quasiparticle wave functions. For the case of the Klein functional, our basic finding is that minimizing the length of the gradient of the total energy functional over non-interacting Green's functions yields a set of self-consistent equations for quasiparticles that is identical to those of the quasiparticle self-consistent GW (QSGW) (van Schilfgaarde et al 2006 Phys. Rev. Lett. 96 226402-4) approach, thereby providing an a priori justification for such an approach to electronic structure calculations. In fact, this result is general, applies to any self-energy operator, and is not restricted to any particular approximation, e.g., the GW approximation for the self-energy. The approach also shows that, when working in the basis of quasiparticle states, solving the diagonal part of the self-consistent Dyson equation is of primary importance while the off-diagonals are of secondary importance, a common observation in the electronic structure literature of self-energy calculations. Finally, numerical tests and analytical arguments show that when the Dyson equation produces multiple quasiparticle solutions corresponding to a single non-interacting state, minimizing the length of the gradient translates into choosing the solution with largest quasiparticle weight.

Prediction of plant lncRNA by ensemble machine learning classifiers.

PubMed

Simopoulos, Caitlin M A; Weretilnyk, Elizabeth A; Golding, G Brian

2018-05-02

In plants, long non-protein coding RNAs are believed to have essential roles in development and stress responses. However, relative to advances on discerning biological roles for long non-protein coding RNAs in animal systems, this RNA class in plants is largely understudied. With comparatively few validated plant long non-coding RNAs, research on this potentially critical class of RNA is hindered by a lack of appropriate prediction tools and databases. Supervised learning models trained on data sets of mostly non-validated, non-coding transcripts have been previously used to identify this enigmatic RNA class with applications largely focused on animal systems. Our approach uses a training set comprised only of empirically validated long non-protein coding RNAs from plant, animal, and viral sources to predict and rank candidate long non-protein coding gene products for future functional validation. Individual stochastic gradient boosting and random forest classifiers trained on only empirically validated long non-protein coding RNAs were constructed. In order to use the strengths of multiple classifiers, we combined multiple models into a single stacking meta-learner. This ensemble approach benefits from the diversity of several learners to effectively identify putative plant long non-coding RNAs from transcript sequence features. When the predicted genes identified by the ensemble classifier were compared to those listed in GreeNC, an established plant long non-coding RNA database, overlap for predicted genes from Arabidopsis thaliana, Oryza sativa and Eutrema salsugineum ranged from 51 to 83% with the highest agreement in Eutrema salsugineum. Most of the highest ranking predictions from Arabidopsis thaliana were annotated as potential natural antisense genes, pseudogenes, transposable elements, or simply computationally predicted hypothetical protein. Due to the nature of this tool, the model can be updated as new long non-protein coding transcripts are identified and functionally verified. This ensemble classifier is an accurate tool that can be used to rank long non-protein coding RNA predictions for use in conjunction with gene expression studies. Selection of plant transcripts with a high potential for regulatory roles as long non-protein coding RNAs will advance research in the elucidation of long non-protein coding RNA function.

Investigating the roots of successful IT adoption processes - an empirical study exploring the shared awareness-knowledge of Directors of Nursing and Chief Information Officers.

PubMed

Liebe, J D; Hüsers, J; Hübner, U

2016-01-27

The majority of health IT adoption research focuses on the later stages of the IT adoption process: namely on the implementation phase. The first stage, however, which is defined as the knowledge-stage, remains widely unobserved. Following Rogers' Diffusion of Innovation Theory (DOI) this paper presents a research framework to examine the possible lack of shared IT awareness-knowledge, i.e. an information gradient, of two crucial stakeholders, the Chief Information Officer (CIO) and the Director of Nursing (DoN). This study shall answer the following research questions: (1.) Does this gradient exist? (2.) Which direction does it have? (3.) Are certain health IT (HIT) attributes associated with a potential gradient? (4.) Which determinants of diffusion go along with this gradient? Results of two surveys that focused on the topic "IT support of clinical workflows" from the viewpoint of CIOs and DoNs with corresponding datasets from 75 hospitals were used in a secondary data analysis. The gradient was operationalised by measuring the disagreement of CIOs and DoNs on the availability and implementation status of 29 IT functions. HIT attributes tested were relevance and market penetration of the IT functions, determinants of diffusion were inter-professional leadership and IT service density. The analysis revealed a significant disagreement on the availability of 9 out of 29 HIT functions. In 23 HIT functions, the CIOs reported a higher implementation status than the DoNs, which pointed to a trend for a unidirectional gradient. The disagreement was significantly lower when the relevance of the IT function was high. Both determinants of diffusion correlated significantly negative with the degree of disagreement. This is the first study to empirically examine shared awareness-knowledge of two IT-stakeholders that are crucial for triggering IT adoption on the frontline level in hospitals. It could be shown that a gradient and thus a lack of shared awareness-knowledge existed and was associated with certain factors. In conclusion, hospitals should implement improved cooperation between IT staff and clinicians and IT service density when establishing the prerequisites for successful IT adoption processes.

Interval Predictor Models with a Formal Characterization of Uncertainty and Reliability

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Giesy, Daniel P.; Kenny, Sean P.

2014-01-01

This paper develops techniques for constructing empirical predictor models based on observations. By contrast to standard models, which yield a single predicted output at each value of the model's inputs, Interval Predictors Models (IPM) yield an interval into which the unobserved output is predicted to fall. The IPMs proposed prescribe the output as an interval valued function of the model's inputs, render a formal description of both the uncertainty in the model's parameters and of the spread in the predicted output. Uncertainty is prescribed as a hyper-rectangular set in the space of model's parameters. The propagation of this set through the empirical model yields a range of outputs of minimal spread containing all (or, depending on the formulation, most) of the observations. Optimization-based strategies for calculating IPMs and eliminating the effects of outliers are proposed. Outliers are identified by evaluating the extent by which they degrade the tightness of the prediction. This evaluation can be carried out while the IPM is calculated. When the data satisfies mild stochastic assumptions, and the optimization program used for calculating the IPM is convex (or, when its solution coincides with the solution to an auxiliary convex program), the model's reliability (that is, the probability that a future observation would be within the predicted range of outputs) can be bounded rigorously by a non-asymptotic formula.

Response of general practitioners to computer-generated critiques of hypertension therapy.

PubMed

van der Lei, J; van der Does, E; Man in 't Veld, A J; Musen, M A; van Bemmel, J H

1993-04-01

We recently have shown that a computer system, known as HyperCritic, can successfully audit general practitioners' treatment of hypertension by analyzing computer-based patient records. HyperCritic reviews the electronic medical records and offers unsolicited advice. To determine which unsolicited advice might be perceived as inappropriate, builders of programs such as HyperCritic need insight into providers' responses to computer-generated critique of their patient care. Twenty medical charts, describing in total 243 visits of patients with hypertension, were audited by 8 human reviewers and by the critiquing-system HyperCritic. A panel of 14 general practitioners subsequently judged the relevance of those critiques on a five-point scale ranging from relevant critique to erroneous or harmful critique. The panel judged reviewers' comments to be either relevant or somewhat relevant in 61 to 68% of cases, and either erroneous or possibly erroneous in 15 to 18%; the panel judged HyperCritic's comments to be either relevant or somewhat relevant in 65% of cases, and either erroneous or possibly erroneous in 16%. Comparison of individual members of the panel showed large differences; for example, the portion of HyperCritic's comments judged relevant ranged from 0 to 82%. We conclude that, from the perspective of general practitioners, critiques generated by the critiquing system HyperCritic are perceived equally beneficial as critiques generated by human reviewers. Different general practitioners, however, judge the critiques differently. Before auditing systems based on computer-based patient records that are acceptable to practitioners can be introduced, additional studies are needed to evaluate the reasons a physician may have for judging critiques to be irrelevant, and to evaluate the effect of critiques on physician behavior.

The mechanism of double-exponential growth in hyper-inflation

NASA Astrophysics Data System (ADS)

Mizuno, T.; Takayasu, M.; Takayasu, H.

2002-05-01

Analyzing historical data of price indices, we find an extraordinary growth phenomenon in several examples of hyper-inflation in which, price changes are approximated nicely by double-exponential functions of time. In order to explain such behavior we introduce the general coarse-graining technique in physics, the Monte Carlo renormalization group method, to the price dynamics. Starting from a microscopic stochastic equation describing dealers’ actions in open markets, we obtain a macroscopic noiseless equation of price consistent with the observation. The effect of auto-catalytic shortening of characteristic time caused by mob psychology is shown to be responsible for the double-exponential behavior.

Association of Hippocampal Substructure Resting-State Functional Connectivity with Memory Performance in Older Adults.

PubMed

Smagula, Stephen F; Karim, Helmet T; Rangarajan, Anusha; Santos, Fernando Pasquini; Wood, Sossena C; Santini, Tales; Jakicic, John M; Reynolds, Charles F; Cameron, Judy L; Vallejo, Abbe N; Butters, Meryl A; Rosano, Caterina; Ibrahim, Tamer S; Erickson, Kirk I; Aizenstein, Howard J

2018-06-01

Hippocampal hyperactivation marks preclinical dementia pathophysiology, potentially due to differences in the connectivity of specific medial temporal lobe structures. Our aims were to characterize the resting-state functional connectivity of medial temporal lobe sub-structures in older adults, and evaluate whether specific substructural (rather than global) functional connectivity relates to memory function. In 15 adults (mean age: 69 years), we evaluated the resting state functional connectivity of medial temporal lobe substructures: dentate/Cornu Ammonis (CA) 4, CA1, CA2/3, subiculum, the molecular layer, entorhinal cortex, and parahippocampus. We used 7-Tesla susceptibility weighted imaging and magnetization-prepared rapid gradient echo sequences to segment substructures of the hippocampus, which were used as structural seeds for examining functional connectivity in a resting BOLD sequence. We then assessed correlations between functional connectivity with memory performance (short and long delay free recall on the California Verbal Learning Test [CVLT]). All the seed regions had significant connectivity within the temporal lobe (including the fusiform, temporal, and lingual gyri). The left CA1 was the only seed with significant functional connectivity to the amygdala. The left entorhinal cortex was the only seed to have significant functional connectivity with frontal cortex (anterior cingulate and superior frontal gyrus). Only higher left dentate-left lingual connectivity was associated with poorer CVLT performance (Spearman r = -0.81, p = 0.0003, Benjamini-Hochberg false discovery rate: 0.01) after multiple comparison correction. Rather than global hyper-connectivity of the medial temporal lobe, left dentate-lingual connectivity may provide a specific assay of medial temporal lobe hyper-connectivity relevant to memory in aging. Copyright © 2018 American Association for Geriatric Psychiatry. Published by Elsevier Inc. All rights reserved.

An in vitro hepatic zonation model with a continuous oxygen gradient in a microdevice.

PubMed

Sato, Asako; Kadokura, Kanae; Uchida, Hideyuki; Tsukada, Kosuke

2014-10-31

In a hepatic lobule, different sets of metabolic enzymes are expressed in the periportal (PP) and pericentral (PC) regions, forming a functional zonation, and the oxygen gradient is considered a determinant of zone formation. It is desirable to reproduce lobular microenvironment in vitro, but incubation of primary hepatocytes in conventional culture dishes has been limited at fixed oxygen concentrations due to technical difficulties. We designed a cell culture microdevice with an oxygen gradient to reproduce the hepatic microenvironment in vitro. The oxygen gradient during cell culture was monitored using a laser-assisted phosphorescence quenching method, and the cellular oxygen consumption rate could be estimated from changes in the gradient. Culture medium was continuously exchanged through microchannels installed in the device to maintain the oxygen gradient for a long term without transient hyper-oxygenation. The oxygen consumption rates of hepatocytes at 70.0mmHg and 31.4mmHg of partial oxygen pressure, which correspond to PP and PC regions in the microdevice, were 3.67×10(-10) and 3.15×10(-10)mol/s/10(6) cells, respectively. Antimycin A changed the oxygen gradient profile, indicating that cellular respiration can be estimated during cell culture. RT-PCR analysis of hepatocytes cultured under the oxygen gradient showed that mRNA expression of PEPCK and GK significantly increased in culture areas corresponding to PP and PC regions, respectively. These results indicate that the developed microdevice can reproduce the hepatic lobular microenvironment. The oxygen gradient in the microdevice can be closely controlled by changing the sizes of gas channels and the ambient oxygen concentration around the device; therefore, it could be expected to mimic the oxygen gradient of various organs, and it may be applicable to other pathological models. Copyright © 2014 Elsevier Inc. All rights reserved.

Numerical study of suspensions of deformable particles.

NASA Astrophysics Data System (ADS)

Brandt, Luca; Rosti, Marco Edoardo

2017-11-01

We consider a model non-Newtonian fluid consisting of a suspension of deformable particles in a Newtonian solvent. Einstein showed in his pioneering work that the relative increase in effective viscosity is a linear function of the particle volume fraction for dilute suspensions of rigid particles. Inertia has been shown to introduce deviations from the behaviour predicted by the different empirical fits, an effect that can be related to an increase of the effective volume fraction. We here focus on the effect of elasticity, i.e. visco-elastic deformable particles. To tackle the problem at hand, we perform three-dimensional Direct Numerical Simulation of a plane Couette flow with a suspension of neutrally buoyant deformable viscous hyper-elastic particles. We show that elasticity produces a shear-thinning effect in elastic suspensions (in comparison to rigid ones) and that it can be understood in terms of a reduction of the effective volume fraction of the suspension. The deformation modifies the particle motion reducing the level of mutual interaction. Normal stress differences will also be considered. European Research Council, Grant No. ERC-2013-CoG- 616186, TRITOS; SNIC (the Swedish National Infrastructure for Computing).

Six-hourly time series of horizontal troposphere gradients in VLBI analyis

NASA Astrophysics Data System (ADS)

Landskron, Daniel; Hofmeister, Armin; Mayer, David; Böhm, Johannes

2016-04-01

Consideration of horizontal gradients is indispensable for high-precision VLBI and GNSS analysis. As a rule of thumb, all observations below 15 degrees elevation need to be corrected for the influence of azimuthal asymmetry on the delay times, which is mainly a product of the non-spherical shape of the atmosphere and ever-changing weather conditions. Based on the well-known gradient estimation model by Chen and Herring (1997), we developed an augmented gradient model with additional parameters which are determined from ray-traced delays for the complete history of VLBI observations. As input to the ray-tracer, we used operational and re-analysis data from the European Centre for Medium-Range Weather Forecasts. Finally, we applied those a priori gradient parameters to VLBI analysis along with other empirical gradient models and assessed their impact on baseline length repeatabilities as well as on celestial and terrestrial reference frames.

A hyper-spherical adaptive sparse-grid method for high-dimensional discontinuity detection

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

Zhang, Guannan; Webster, Clayton G.; Gunzburger, Max D.

This work proposes and analyzes a hyper-spherical adaptive hierarchical sparse-grid method for detecting jump discontinuities of functions in high-dimensional spaces is proposed. The method is motivated by the theoretical and computational inefficiencies of well-known adaptive sparse-grid methods for discontinuity detection. Our novel approach constructs a function representation of the discontinuity hyper-surface of an N-dimensional dis- continuous quantity of interest, by virtue of a hyper-spherical transformation. Then, a sparse-grid approximation of the transformed function is built in the hyper-spherical coordinate system, whose value at each point is estimated by solving a one-dimensional discontinuity detection problem. Due to the smoothness of themore » hyper-surface, the new technique can identify jump discontinuities with significantly reduced computational cost, compared to existing methods. Moreover, hierarchical acceleration techniques are also incorporated to further reduce the overall complexity. Rigorous error estimates and complexity analyses of the new method are provided as are several numerical examples that illustrate the effectiveness of the approach.« less

DEVELOPMENT OF BIO-BASED MOLECULAR TECHNOLOGIES FOR REMOVAL AND REAL-TIME MONITORING OF TOXIC METALS

EPA Science Inventory

Transformation of heavy-metal related genes from a hyper-accumulator to a high-biomass species is expected to promote a zinc hyper-accumulating phenotype in the normally non-hyper-accumulating poplar. Coupling fluorescence with heavy metal proteins is anticipated to allow ...

Osmoregulation in the Hawaiian anchialine shrimp Halocaridina rubra (Crustacea: Atyidae): expression of ion transporters, mitochondria-rich cell proliferation and hemolymph osmolality during salinity transfers.

PubMed

Havird, Justin C; Santos, Scott R; Henry, Raymond P

2014-07-01

Studies of euryhaline crustaceans have identified conserved osmoregulatory adaptions allowing hyper-osmoregulation in dilute waters. However, previous studies have mainly examined decapod brachyurans with marine ancestries inhabiting estuaries or tidal creeks on a seasonal basis. Here, we describe osmoregulation in the atyid Halocaridina rubra, an endemic Hawaiian shrimp of freshwater ancestry from the islands' anchialine ecosystem (coastal ponds with subsurface freshwater and seawater connections) that encounters near-continuous spatial and temporal salinity changes. Given this, survival and osmoregulatory responses were examined over a wide salinity range. In the laboratory, H. rubra tolerated salinities of ~0-56‰, acting as both a hyper- and hypo-osmoregulator and maintaining a maximum osmotic gradient of ~868 mOsm kg(-1) H2O in freshwater. Furthermore, hemolymph osmolality was more stable during salinity transfers relative to other crustaceans. Silver nitrate and vital mitochondria-rich cell staining suggest all gills are osmoregulatory, with a large proportion of each individual gill functioning in ion transport (including when H. rubra acts as an osmoconformer in seawater). Additionally, expression of ion transporters and supporting enzymes that typically undergo upregulation during salinity transfer in osmoregulatory gills (i.e. Na(+)/K(+)-ATPase, carbonic anhydrase, Na(+)/K(+)/2Cl(-) cotransporter, V-type H(+)-ATPase and arginine kinase) were generally unaltered in H. rubra during similar transfers. These results suggest H. rubra (and possibly other anchialine species) maintains high, constitutive levels of gene expression and ion transport capability in the gills as a means of potentially coping with the fluctuating salinities that are encountered in anchialine habitats. Thus, anchialine taxa represent an interesting avenue for future physiological research. © 2014. Published by The Company of Biologists Ltd.

Performance evaluation of matrix gradient coils.

PubMed

Jia, Feng; Schultz, Gerrit; Testud, Frederik; Welz, Anna Masako; Weber, Hans; Littin, Sebastian; Yu, Huijun; Hennig, Jürgen; Zaitsev, Maxim

2016-02-01

In this paper, we present a new performance measure of a matrix coil (also known as multi-coil) from the perspective of efficient, local, non-linear encoding without explicitly considering target encoding fields. An optimization problem based on a joint optimization for the non-linear encoding fields is formulated. Based on the derived objective function, a figure of merit of a matrix coil is defined, which is a generalization of a previously known resistive figure of merit for traditional gradient coils. A cylindrical matrix coil design with a high number of elements is used to illustrate the proposed performance measure. The results are analyzed to reveal novel features of matrix coil designs, which allowed us to optimize coil parameters, such as number of coil elements. A comparison to a scaled, existing multi-coil is also provided to demonstrate the use of the proposed performance parameter. The assessment of a matrix gradient coil profits from using a single performance parameter that takes the local encoding performance of the coil into account in relation to the dissipated power.

Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2017-12-01

The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger and Grmela, Phys. Rev. E 56(6), 6633 (1997)). In this context, the resulting models are inherently spatially strongly non-local (i.e., functional) and non-isothermal in character. They are applicable in particular to the modeling of phase transitions as well as mass and heat transport in multiphase, multicomponent solids. In the last part of the work, the strongly non-local model formulation is reduced to weakly non-local form with the help of generalized gradient approximation of the energy and entropy functionals. On this basis, the current model formulation is shown to be consistent with and reduce to a recent non-isothermal generalization (Gladkov et al., J. Non-Equilib. Thermodyn. 41(2), 131 (2016)) of the well-known phase-field models of Cahn and Hilliard (J. Chem. Phys. 28(2), 258 (1958)) for conservative dynamics and of Allen and Cahn (Acta Metall. 27(6), 1085 (1979)) for non-conservative dynamics. Finally, the current approach is applied to derive a non-isothermal generalization of a phase-field crystal model for binary alloys (see, e.g., Elder et al., Phys. Rev. B 75(6), 064107 (2007)).

An empirical examination of consumer effects across twenty degrees of latitude.

PubMed

Lavender, James T; Dafforn, Katherine A; Bishop, Melanie J; Johnston, Emma L

2017-09-01

The strength and importance of consumer effects are predicted to increase toward low latitudes, but this hypothesis has rarely been tested using a spatially consistent methodology. In a consumer-exclusion experiment spanning twenty degrees of latitude along the east Australian coast, the magnitude of consumer effects on sub-tidal sessile assemblage composition was not greater at low than high latitudes. Across caged and control assemblages, Shannon's diversity, Pielou's evenness, and richness of functional groups decreased with increasing latitude, but the magnitude of consumer effects on these metrics did not display consistent latitudinal gradients. Instead, latitudinal gradients in consumer effects were apparent for individual functional groups. Solitary ascidians displayed the pattern consistent with predictions of greater direct effects of predators at low than high latitude. As consumers reduced the biomass of this and other competitive dominants, groups less prone to predation (e.g., hydroids, various groups of bryozoans) were able to take advantage of freed space in the presence of consumers and show increased abundances there. This large-scale empirical study demonstrates the complexity of species interactions, and the failure of assemblage-level metrics to adequately capture consumer effects over large spatial gradients. © 2017 by the Ecological Society of America.

Cover of coastal vegetation as an indicator of eutrophication along environmental gradients.

PubMed

Wikström, Sofia A; Carstensen, Jacob; Blomqvist, Mats; Krause-Jensen, Dorte

2016-01-01

Coastal vegetation communities are important for primary production, biodiversity, coastal protection, carbon and nutrient cycling which, in combination with their sensitivity to eutrophication, render them potential indicators of environmental status for environmental policies like the EU Water and Marine Strategy Framework Directives. We evaluated one potential indicator for coastal vegetation, the cumulative cover at depths where the vegetation is light limited, by investigating its response to eutrophication along gradients in natural conditions. We used a large data set covering the Swedish coastline, spanning broad gradients in nutrient level, water clarity, seabed substrate, physical exposure and climate in addition to a salinity gradient from 0.5 to 30.5. Macroalgal cover increased significantly along gradients of declining nutrient concentration and increasing water clarity when we had accounted for diver effects, spatio-temporal sampling variability, salinity gradients, wave exposure and latitude. The developed empirical model explained 79% of the variation in algal cover across 130 areas. Based on this, we identified macroalgal cover as a promising indicator across the Baltic Sea, Kattegat and Skagerrak. A parallel analysis of soft-substrate macrophytes similarly identified significant increases in cover with decreasing concentrations of total nitrogen and increasing salinity, but the resulting empirical model explained only 52% of the variation in cover, probably due to the spatially more variable nature of soft-substrate vegetation. The identified general responses of vegetation cover to gradients of eutrophication across wide ranges in environmental settings may be useful for monitoring and management of marine vegetation in areas with strong environmental gradients.

Nonparametric tests for equality of psychometric functions.

PubMed

García-Pérez, Miguel A; Núñez-Antón, Vicente

2017-12-07

Many empirical studies measure psychometric functions (curves describing how observers' performance varies with stimulus magnitude) because these functions capture the effects of experimental conditions. To assess these effects, parametric curves are often fitted to the data and comparisons are carried out by testing for equality of mean parameter estimates across conditions. This approach is parametric and, thus, vulnerable to violations of the implied assumptions. Furthermore, testing for equality of means of parameters may be misleading: Psychometric functions may vary meaningfully across conditions on an observer-by-observer basis with no effect on the mean values of the estimated parameters. Alternative approaches to assess equality of psychometric functions per se are thus needed. This paper compares three nonparametric tests that are applicable in all situations of interest: The existing generalized Mantel-Haenszel test, a generalization of the Berry-Mielke test that was developed here, and a split variant of the generalized Mantel-Haenszel test also developed here. Their statistical properties (accuracy and power) are studied via simulation and the results show that all tests are indistinguishable as to accuracy but they differ non-uniformly as to power. Empirical use of the tests is illustrated via analyses of published data sets and practical recommendations are given. The computer code in MATLAB and R to conduct these tests is available as Electronic Supplemental Material.

Elevational Gradients in Fish Diversity in the Himalaya: Water Discharge Is the Key Driver of Distribution Patterns

PubMed Central

Bhatt, Jay P.; Manish, Kumar; Pandit, Maharaj K.

2012-01-01

Background Studying diversity and distribution patterns of species along elevational gradients and understanding drivers behind these patterns is central to macroecology and conservation biology. A number of studies on biogeographic gradients are available for terrestrial ecosystems, but freshwater ecosystems remain largely neglected. In particular, we know very little about the species richness gradients and their drivers in the Himalaya, a global biodiversity hotspot. Methodology/Principal Findings We collated taxonomic and distribution data of fish species from 16 freshwater Himalayan rivers and carried out empirical studies on environmental drivers and fish diversity and distribution in the Teesta river (Eastern Himalaya). We examined patterns of fish species richness along the Himalayan elevational gradients (50–3800 m) and sought to understand the drivers behind the emerging patterns. We used generalized linear models (GLM) and generalized additive models (GAM) to examine the richness patterns; GLM was used to investigate relationship between fish species richness and various environmental variables. Regression modelling involved stepwise procedures, including elimination of collinear variables, best model selection, based on the least Akaike’s information criterion (AIC) and the highest percentage of deviance explained (D2). This maiden study on the Himalayan fishes revealed that total and non-endemic fish species richness monotonously decrease with increasing elevation, while endemics peaked around mid elevations (700–1500 m). The best explanatory model (synthetic model) indicated that water discharge is the best predictor of fish species richness patterns in the Himalayan rivers. Conclusions/Significance This study, carried out along one of the longest bioclimatic elevation gradients of the world, lends support to Rapoport’s elevational rule as opposed to mid domain effect hypothesis. We propose a species-discharge model and contradict species-area model in predicting fish species richness. We suggest that drivers of richness gradients in terrestrial and aquatic ecosystems are likely to be different. These studies are crucial in context of the impacts of unprecedented on-going river regulation on fish diversity and distribution in the Himalaya. PMID:23029444

Surface drift prediction in the Adriatic Sea using hyper-ensemble statistics on atmospheric, ocean and wave models: Uncertainties and probability distribution areas

USGS Publications Warehouse

Rixen, M.; Ferreira-Coelho, E.; Signell, R.

2008-01-01

Despite numerous and regular improvements in underlying models, surface drift prediction in the ocean remains a challenging task because of our yet limited understanding of all processes involved. Hence, deterministic approaches to the problem are often limited by empirical assumptions on underlying physics. Multi-model hyper-ensemble forecasts, which exploit the power of an optimal local combination of available information including ocean, atmospheric and wave models, may show superior forecasting skills when compared to individual models because they allow for local correction and/or bias removal. In this work, we explore in greater detail the potential and limitations of the hyper-ensemble method in the Adriatic Sea, using a comprehensive surface drifter database. The performance of the hyper-ensembles and the individual models are discussed by analyzing associated uncertainties and probability distribution maps. Results suggest that the stochastic method may reduce position errors significantly for 12 to 72??h forecasts and hence compete with pure deterministic approaches. ?? 2007 NATO Undersea Research Centre (NURC).

Implications of discontinuous elevation gradients on fragmentation and restoration in patterned wetlands

USGS Publications Warehouse

Zweig, Christa L.; Reichert, Brian E.; Kitchens, Wiley M.

2011-01-01

Large wetlands around the world face the possibility of degradation, not only from complete conversion, but also from subtle changes in their structure and function. While fragmentation and isolation of wetlands within heterogeneous landscapes has received much attention, the disruption of spatial patterns/processes within large wetland systems and the resulting fragmentation of community components are less well documented. A greater understanding of pattern/process relationships and landscape gradients, and what occurs when they are altered, could help avoid undesirable consequences of restoration actions. The objective of this study is to determine the amount of fragmentation of sawgrass ridges due to artificial impoundment of water and how that may be differentially affected by spatial position relative to north and south levees. We also introduce groundbreaking evidence of landscape-level discontinuous elevation gradients within WCA3AS by comparing generalized linear and generalized additive models. These relatively abrupt breaks in elevation may have non-linear effects on hydrology and vegetation communities and would be crucial in restoration considerations. Modeling suggests there are abrupt breaks in elevation as a function of northing (Y-coordinate). Fragmentation indices indicate that fragmentation is a function of elevation and easting (X-coordinate), and that fragmentation has increased from 1988-2002. When landscapes change and the changes are compounded by non-linear landscape variables that are described herein, the maintenance processes change with them, creating a degraded feedback loop that alters the system's response to structuring variables and diminishes our ability to predict the effects of restoration projects or climate change. Only when these landscape variables and linkages are clearly defined can we predict the response to potential perturbations and apply the knowledge to other landscape-level wetland systems in need of future restoration.

Nested Conjugate Gradient Algorithm with Nested Preconditioning for Non-linear Image Restoration.

PubMed

Skariah, Deepak G; Arigovindan, Muthuvel

2017-06-19

We develop a novel optimization algorithm, which we call Nested Non-Linear Conjugate Gradient algorithm (NNCG), for image restoration based on quadratic data fitting and smooth non-quadratic regularization. The algorithm is constructed as a nesting of two conjugate gradient (CG) iterations. The outer iteration is constructed as a preconditioned non-linear CG algorithm; the preconditioning is performed by the inner CG iteration that is linear. The inner CG iteration, which performs preconditioning for outer CG iteration, itself is accelerated by an another FFT based non-iterative preconditioner. We prove that the method converges to a stationary point for both convex and non-convex regularization functionals. We demonstrate experimentally that proposed method outperforms the well-known majorization-minimization method used for convex regularization, and a non-convex inertial-proximal method for non-convex regularization functional.

High-resolution, time-resolved MRA provides superior definition of lower-extremity arterial segments compared to 2D time-of-flight imaging.

PubMed

Thornton, F J; Du, J; Suleiman, S A; Dieter, R; Tefera, G; Pillai, K R; Korosec, F R; Mistretta, C A; Grist, T M

2006-08-01

To evaluate a novel time-resolved contrast-enhanced (CE) projection reconstruction (PR) magnetic resonance angiography (MRA) method for identifying potential bypass graft target vessels in patients with Class II-IV peripheral vascular disease. Twenty patients (M:F = 15:5, mean age = 58 years, range = 48-83 years), were recruited from routine MRA referrals. All imaging was performed on a 1.5 T MRI system with fast gradients (Signa LX; GE Healthcare, Waukesha, WI). Images were acquired with a novel technique that combined undersampled PR with a time-resolved acquisition to yield an MRA method with high temporal and spatial resolution. The method is called PR hyper time-resolved imaging of contrast kinetics (PR-hyperTRICKS). Quantitative and qualitative analyses were used to compare two-dimensional (2D) time-of-flight (TOF) and PR-hyperTRICKS in 13 arterial segments per lower extremity. Statistical analysis was performed with the Wilcoxon signed-rank test. Fifteen percent (77/517) of the vessels were scored as missing or nondiagnostic with 2D TOF, but were scored as diagnostic with PR-hyperTRICKS. Image quality was superior with PR-hyperTRICKS vs. 2D TOF (on a four-point scale, mean rank = 3.3 +/- 1.2 vs. 2.9 +/- 1.2, P < 0.0001). PR-hyperTRICKS produced images with high contrast-to-noise ratios (CNR) and high spatial and temporal resolution. 2D TOF images were of inferior quality due to moderate spatial resolution, inferior CNR, greater flow-related artifacts, and absence of temporal resolution. PR-hyperTRICKS provides superior preoperative assessment of lower limb ischemia compared to 2D TOF.

A uniplanar three-axis gradient set for in vivo magnetic resonance microscopy.

PubMed

Demyanenko, Andrey V; Zhao, Lin; Kee, Yun; Nie, Shuyi; Fraser, Scott E; Tyszka, J Michael

2009-09-01

We present an optimized uniplanar magnetic resonance gradient design specifically tailored for MR imaging applications in developmental biology and histology. Uniplanar gradient designs sacrifice gradient uniformity for high gradient efficiency and slew rate, and are attractive for surface imaging applications where open access from one side of the sample is required. However, decreasing the size of the uniplanar gradient set presents several unique engineering challenges, particularly for heat dissipation and thermal insulation of the sample from gradient heating. We demonstrate a new three-axis, target-field optimized uniplanar gradient coil design that combines efficient cooling and insulation to significantly reduce sample heating at sample-gradient distances of less than 5mm. The instrument is designed for microscopy in horizontal bore magnets. Empirical gradient current efficiencies in the prototype coils lie between 3.75G/cm/A and 4.5G/cm/A with current and heating-limited maximum gradient strengths between 235G/cm and 450G/cm at a 2% duty cycle. The uniplanar gradient prototype is demonstrated with non-linearity corrections for both high-resolution structural imaging of tissue slices and for long time-course imaging of live, developing amphibian embryos in a horizontal bore 7T magnet.

Amygdala Reactivity to Emotional Faces in the Prediction of General and Medication-Specific Responses to Antidepressant Treatment in the Randomized iSPOT-D Trial

PubMed Central

Williams, Leanne M; Korgaonkar, Mayuresh S; Song, Yun C; Paton, Rebecca; Eagles, Sarah; Goldstein-Piekarski, Andrea; Grieve, Stuart M; Harris, Anthony W F; Usherwood, Tim; Etkin, Amit

2015-01-01

Although the cost of poor treatment outcomes of depression is staggering, we do not yet have clinically useful methods for selecting the most effective antidepressant for each depressed person. Emotional brain activation is altered in major depressive disorder (MDD) and implicated in treatment response. Identifying which aspects of emotional brain activation are predictive of general and specific responses to antidepressants may help clinicians and patients when making treatment decisions. We examined whether amygdala activation probed by emotion stimuli is a general or differential predictor of response to three commonly prescribed antidepressants, using functional magnetic resonance imaging (fMRI). A test–retest design was used to assess patients with MDD in an academic setting as part of the International Study to Predict Optimized Treatment in Depression. A total of 80 MDD outpatients were scanned prior to treatment and 8 weeks after randomization to the selective serotonin reuptake inhibitors escitalopram and sertraline and the serotonin–norepinephrine reuptake inhibitor, venlafaxine-extended release (XR). A total of 34 matched controls were scanned at the same timepoints. We quantified the blood oxygen level-dependent signal of the amygdala during subliminal and supraliminal viewing of facial expressions of emotion. Response to treatment was defined by ⩾50% symptom improvement on the 17-item Hamilton Depression Rating Scale. Pre-treatment amygdala hypo-reactivity to subliminal happy and threat was a general predictor of treatment response, regardless of medication type (Cohen's d effect size 0.63 to 0.77; classification accuracy, 75%). Responders showed hypo-reactivity compared to controls at baseline, and an increase toward ‘normalization' post-treatment. Pre-treatment amygdala reactivity to subliminal sadness was a differential moderator of non-response to venlafaxine-XR (Cohen's d effect size 1.5; classification accuracy, 81%). Non-responders to venlafaxine-XR showed pre-treatment hyper-reactivity, which progressed to hypo-reactivity rather than normalization post-treatment, and hypo-reactivity post-treatment was abnormal compared to controls. Impaired amygdala activation has not previously been highlighted in the general vs differential prediction of antidepressant outcomes. Amygdala hypo-reactivity to emotions signaling reward and threat predicts the general capacity to respond to antidepressants. Amygdala hyper-reactivity to sad emotion is involved in a specific non-response to a serotonin–norepinephrine reuptake inhibitor. The findings suggest amygdala probes may help inform the personal selection of antidepressant treatments. PMID:25824424

Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method

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

Lutsker, V.; Niehaus, T. A., E-mail: thomas.niehaus@physik.uni-regensburg.de; Aradi, B.

2015-11-14

Bridging the gap between first principles methods and empirical schemes, the density functional based tight-binding method (DFTB) has become a versatile tool in predictive atomistic simulations over the past years. One of the major restrictions of this method is the limitation to local or gradient corrected exchange-correlation functionals. This excludes the important class of hybrid or long-range corrected functionals, which are advantageous in thermochemistry, as well as in the computation of vibrational, photoelectron, and optical spectra. The present work provides a detailed account of the implementation of DFTB for a long-range corrected functional in generalized Kohn-Sham theory. We apply themore » method to a set of organic molecules and compare ionization potentials and electron affinities with the original DFTB method and higher level theory. The new scheme cures the significant overpolarization in electric fields found for local DFTB, which parallels the functional dependence in first principles density functional theory (DFT). At the same time, the computational savings with respect to full DFT calculations are not compromised as evidenced by numerical benchmark data.« less

Compressive and rarefactive double layers in non-uniform plasma with q-nonextensive distributed electrons

NASA Astrophysics Data System (ADS)

Shan, S. Ali; Saleem, H.

2018-05-01

Electrostatic solitary waves and double layers (DLs) formed by the coupled ion acoustic (IA) and drift waves have been investigated in non-uniform plasma using q-nonextensive distribution function for the electrons and assuming ions to be cold Ti< Te. It is found that both compressive and rarefactive nonlinear structures (solitary waves and DLs) are possible in such a system. The steeper gradients are supportive for compressive solitary (and double layers) and destructive for rarefactive ones. The q-nonextensivity parameter q and the magnitudes of gradient scale lengths of density and temperature have significant effects on the amplitude of the double layers (and double layers) as well as on the speed of these structures. This theoretical model is general which has been applied here to the F-region ionosphere for illustration.

States of phage T3/T7 capsids: buoyant density centrifugation and cryo-EM.

PubMed

Serwer, Philip; Wright, Elena T; Demeler, Borries; Jiang, Wen

2018-04-01

Mature double-stranded DNA bacteriophages have capsids with symmetrical shells that typically resist disruption, as they must to survive in the wild. However, flexibility and associated dynamism assist function. We describe biochemistry-oriented procedures used to find previously obscure flexibility for capsids of the related phages, T3 and T7. The primary procedures are hydration-based buoyant density ultracentrifugation and purified particle-based cryo-electron microscopy (cryo-EM). We review the buoyant density centrifugation in detail. The mature, stable T3/T7 capsid is a shell flexibility-derived conversion product of an initially assembled procapsid (capsid I). During DNA packaging, capsid I expands and loses a scaffolding protein to form capsid II. The following are observations made with capsid II. (1) The in vivo DNA packaging of wild type T3 generates capsid II that has a slight (1.4%), cryo-EM-detected hyper-expansion relative to the mature phage capsid. (2) DNA packaging in some altered conditions generates more extensive hyper-expansion of capsid II, initially detected by hydration-based preparative buoyant density centrifugation in Nycodenz density gradients. (3) Capsid contraction sometimes occurs, e.g., during quantized leakage of DNA from mature T3 capsids without a tail.

Renormalizability of the gradient flow in the 2D O(N) non-linear sigma model

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Suzuki, Hiroshi

2015-03-01

It is known that the gauge field and its composite operators evolved by the Yang-Mills gradient flow are ultraviolet (UV) finite without any multiplicative wave function renormalization. In this paper, we prove that the gradient flow in the 2D O(N) non-linear sigma model possesses a similar property: The flowed N-vector field and its composite operators are UV finite without multiplicative wave function renormalization. Our proof in all orders of perturbation theory uses a (2+1)-dimensional field theoretical representation of the gradient flow, which possesses local gauge invariance without gauge field. As an application of the UV finiteness of the gradient flow, we construct the energy-momentum tensor in the lattice formulation of the O(N) non-linear sigma model that automatically restores the correct normalization and the conservation law in the continuum limit.

Diagnostic Suite for HyperV Coaxial Plasma Gun Development for the PLX- α Project

NASA Astrophysics Data System (ADS)

Case, Andrew; Brockington, Sam; Witherspoon, F. Douglas

2015-11-01

We present the diagnostic suite to be used during development of the coaxial guns HyperV will deliver to LANL in support of the ARPA-E Accelerating Low-Cost Plasma Heating And Assembly (ALPHA) program. For plasma jet diagnostics this includes fast photodiodes for velocimetry, a ballistic pendulum for measuring total plasmoid momentum, interferometry for line integrated plasma density, deflectometry for line integrated perpendicular density gradient measurements, and spectroscopy, both time resolved high resolution spectroscopy using a novel detector developed by HyperV and time integrated survey spectroscopy, for measurements of velocity and temperature as well as impurities. In addition, we plan to use fast pressure probes for stagnation pressure, a Faraday cup for density, fast imaging for plume geometry and time integrated imaging for overall light emission. A novel low resolution long record length camera developed by HyperV will also be used for plume diagnostics. For diagnostics of gun operation, we will use Rogowski coils to measure current, voltage dividers for voltages, B-dot probes for magnetic field, and time resolved fast photodiodes to measure plasmoid velocity inside the accelerator. This work supported by the ARPA-E ALPHA program.

Generalized massive optimal data compression

NASA Astrophysics Data System (ADS)

Alsing, Justin; Wandelt, Benjamin

2018-05-01

In this paper, we provide a general procedure for optimally compressing N data down to n summary statistics, where n is equal to the number of parameters of interest. We show that compression to the score function - the gradient of the log-likelihood with respect to the parameters - yields n compressed statistics that are optimal in the sense that they preserve the Fisher information content of the data. Our method generalizes earlier work on linear Karhunen-Loéve compression for Gaussian data whilst recovering both lossless linear compression and quadratic estimation as special cases when they are optimal. We give a unified treatment that also includes the general non-Gaussian case as long as mild regularity conditions are satisfied, producing optimal non-linear summary statistics when appropriate. As a worked example, we derive explicitly the n optimal compressed statistics for Gaussian data in the general case where both the mean and covariance depend on the parameters.

Moving forward on facilitation research: response to changing environments and effects on the diversity, functioning and evolution of plant communities

PubMed Central

Soliveres, Santiago; Smit, Christian; Maestre, Fernando T.

2015-01-01

Once seen as anomalous, facilitative interactions among plants and their importance for community structure and functioning are now widely recognized. The growing body of modelling, descriptive and experimental studies on facilitation covers a wide variety of terrestrial and aquatic systems throughout the globe. However, the lack of a general body of theory linking facilitation among different types of organisms and biomes and their responses to environmental changes prevents further advances in our knowledge regarding the evolutionary and ecological implications of facilitation in plant communities. Moreover, insights gathered from alternative lines of inquiry may substantially improve our understanding of facilitation, but these have been largely neglected thus far. Despite over 15 years of research and debate on this topic, there is no consensus on the degree to which plant–plant interactions change predictably along environmental gradients (i.e. the stress-gradient hypothesis), and this hinders our ability to predict how plant–plant interactions may affect the response of plant communities to ongoing global environmental change. The existing controversies regarding the response of plant–plant interactions across environmental gradients can be reconciled when clearly considering and determining the species-specificity of the response, the functional or individual stress type, and the scale of interest (pairwise interactions or community-level response). Here, we introduce a theoretical framework to do this, supported by multiple lines of empirical evidence. We also discuss current gaps in our knowledge regarding how plant–plant interactions change along environmental gradients. These include the existence of thresholds in the amount of species-specific stress that a benefactor can alleviate, the linearity or non-linearity of the response of pairwise interactions across distance from the ecological optimum of the beneficiary, and the need to explore further how frequent interactions among multiple species are and how they change across different environments. We review the latest advances in these topics and provide new approaches to fill current gaps in our knowledge. We also apply our theoretical framework to advance our knowledge on the evolutionary aspects of plant facilitation, and the relative importance of facilitation, in comparison with other ecological processes, for maintaining ecosystem structure, functioning and dynamics. We build links between these topics and related fields, such as ecological restoration, woody encroachment, invasion ecology, ecological modelling and biodiversity–ecosystem-functioning relationships. By identifying commonalities and insights from alternative lines of research, we further advance our understanding of facilitation and provide testable hypotheses regarding the role of (positive) biotic interactions in the maintenance of biodiversity and the response of ecological communities to ongoing environmental changes. PMID:24774563

Moving forward on facilitation research: response to changing environments and effects on the diversity, functioning and evolution of plant communities.

PubMed

Soliveres, Santiago; Smit, Christian; Maestre, Fernando T

2015-02-01

Once seen as anomalous, facilitative interactions among plants and their importance for community structure and functioning are now widely recognized. The growing body of modelling, descriptive and experimental studies on facilitation covers a wide variety of terrestrial and aquatic systems throughout the globe. However, the lack of a general body of theory linking facilitation among different types of organisms and biomes and their responses to environmental changes prevents further advances in our knowledge regarding the evolutionary and ecological implications of facilitation in plant communities. Moreover, insights gathered from alternative lines of inquiry may substantially improve our understanding of facilitation, but these have been largely neglected thus far. Despite over 15 years of research and debate on this topic, there is no consensus on the degree to which plant-plant interactions change predictably along environmental gradients (i.e. the stress-gradient hypothesis), and this hinders our ability to predict how plant-plant interactions may affect the response of plant communities to ongoing global environmental change. The existing controversies regarding the response of plant-plant interactions across environmental gradients can be reconciled when clearly considering and determining the species-specificity of the response, the functional or individual stress type, and the scale of interest (pairwise interactions or community-level response). Here, we introduce a theoretical framework to do this, supported by multiple lines of empirical evidence. We also discuss current gaps in our knowledge regarding how plant-plant interactions change along environmental gradients. These include the existence of thresholds in the amount of species-specific stress that a benefactor can alleviate, the linearity or non-linearity of the response of pairwise interactions across distance from the ecological optimum of the beneficiary, and the need to explore further how frequent interactions among multiple species are and how they change across different environments. We review the latest advances in these topics and provide new approaches to fill current gaps in our knowledge. We also apply our theoretical framework to advance our knowledge on the evolutionary aspects of plant facilitation, and the relative importance of facilitation, in comparison with other ecological processes, for maintaining ecosystem structure, functioning and dynamics. We build links between these topics and related fields, such as ecological restoration, woody encroachment, invasion ecology, ecological modelling and biodiversity-ecosystem-functioning relationships. By identifying commonalities and insights from alternative lines of research, we further advance our understanding of facilitation and provide testable hypotheses regarding the role of (positive) biotic interactions in the maintenance of biodiversity and the response of ecological communities to ongoing environmental changes. © 2014 The Authors. Biological Reviews © 2014 Cambridge Philosophical Society.

Serum AMH Level to Predict the Hyper Response in Women with PCOS and Non-PCOS Undergoing Controlled Ovarian Stimulation in ART.

PubMed

Vembu, Radha; Reddy, Nellepalli Sanjeeva

2017-01-01

It is essential to determine the cut-off value of serum anti-Mullerian hormone (AMH) to predict the hyper response in assisted reproductive technology (ART). There are few studies mentioning the cut-off value for the hyper response in infertile women but not specifically for polycystic ovary syndrome (PCOS) and non-PCOS groups. With this in background, this study was conducted. To determine the cut-off value of serum AMH to predict the hyper response in women with PCOS and non-PCOS undergoing a controlled ovarian stimulation (COS) in ART. To compare the outcome of stimulation in PCOS and non-PCOS groups. All 246 women enrolled for Intra Cytoplasmic Sperm Injection (ICSI) fulfilling the selection criteria were recruited. On the day 3 of the cycle, the serum AMH, Follicle Stimulating Hormone (FSH), Luteinizing Hormone (LH), estradiol and antral follicle count (AFC) were measured. They underwent COS as per the unit protocol. They were divided into PCOS and non-PCOS groups as per the Rotterdam's criteria. The mean age, duration of infertility, Body Mass Index (BMI), Ovarian reserve markers and outcome of stimulation were compared. Using the Statistical Package for the Social Sciences version 16.0 software, the significant difference was measured by multivariate analysis, as well as a one-way analysis of variance with Tukey's post-hoc test was used. Among 246 women, 31.3% were in PCOS group, and 68.7% were in non-PCOS group. Comparison of PCOS and non-PCOS groups showed a significant difference in the age with the mean age being 29.2 and 31.5 years, respectively. The mean AMH and AFC were 2-fold higher in PCOS group. The mean number of follicles, oocytes retrieved, MII and oocytes fertilised were significantly higher in PCOS group. The pregnancy rate was 52.6% in PCOS and 30.9% in non-PCOS group. In the PCOS group, 22.1% had ovarian hyper stimulation syndrome (OHSS), and only 4.7% had OHSS in non-PCOS group ( P = 0.0005). Receiving Operator Curve (ROC) curve was plotted to predict the hyper response, which showed a cut-off value of 6.85 ng/ml with a sensitivity of 66.7% and a specificity of 68.7% for PCOS group and 4.85 ng/ml with a sensitivity of 85.7% and a specificity of 89.7% in non-PCOS group. The cut-off value of serum AMH to predict the hyper response in PCOS group is 6.85 ng/ml and in non-PCOS group is 4.85 ng/ml.

Scattering and cloaking of binary hyper-particles in metamaterials.

PubMed

Alexopoulos, A; Yau, K S B

2010-09-13

We derive the d-dimensional scattering cross section for homogeneous and composite hyper-particles inside a metamaterial. The polarizability of the hyper-particles is expressed in multi-dimensional form and is used in order to examine various scattering characteristics. We introduce scattering bounds that display interesting results when d --> ∞ and in particular consider the special limit of hyper-particle cloaking in some detail. We demonstrate cloaking via resonance for homogeneous particles and show that composite hyper-particles can be used in order to obtain electromagnetic cloaking with either negative or all positive constitutive parameters respectively. Our approach not only considers cloaking of particles of integer dimension but also particles with non-integer dimension such as fractals. Theoretical results are compared to full-wave numerical simulations for two interacting hyper-particles in a medium.

First-order approximation for the pressure-flow relationship of spontaneously contracting lymphangions.

PubMed

Quick, Christopher M; Venugopal, Arun M; Dongaonkar, Ranjeet M; Laine, Glen A; Stewart, Randolph H

2008-05-01

To return lymph to the great veins of the neck, it must be actively pumped against a pressure gradient. Mean lymph flow in a portion of a lymphatic network has been characterized by an empirical relationship (P(in) - P(out) = -P(p) + R(L)Q(L)), where P(in) - P(out) is the axial pressure gradient and Q(L) is mean lymph flow. R(L) and P(p) are empirical parameters characterizing the effective lymphatic resistance and pump pressure, respectively. The relation of these global empirical parameters to the properties of lymphangions, the segments of a lymphatic vessel bounded by valves, has been problematic. Lymphangions have a structure like blood vessels but cyclically contract like cardiac ventricles; they are characterized by a contraction frequency (f) and the slopes of the end-diastolic pressure-volume relationship [minimum value of resulting elastance (E(min))] and end-systolic pressure-volume relationship [maximum value of resulting elastance (E(max))]. Poiseuille's law provides a first-order approximation relating the pressure-flow relationship to the fundamental properties of a blood vessel. No analogous formula exists for a pumping lymphangion. We therefore derived an algebraic formula predicting lymphangion flow from fundamental physical principles and known lymphangion properties. Quantitative analysis revealed that lymph inertia and resistance to lymph flow are negligible and that lymphangions act like a series of interconnected ventricles. For a single lymphangion, P(p) = P(in) (E(max) - E(min))/E(min) and R(L) = E(max)/f. The formula was tested against a validated, realistic mathematical model of a lymphangion and found to be accurate. Predicted flows were within the range of flows measured in vitro. The present work therefore provides a general solution that makes it possible to relate fundamental lymphangion properties to lymphatic system function.

Toward the Application of the Maximum Entropy Production Principle to a Broader Range of Far From Equilibrium Dissipative Systems

NASA Astrophysics Data System (ADS)

Lineweaver, C. H.

2005-12-01

The principle of Maximum Entropy Production (MEP) is being usefully applied to a wide range of non-equilibrium processes including flows in planetary atmospheres and the bioenergetics of photosynthesis. Our goal of applying the principle of maximum entropy production to an even wider range of Far From Equilibrium Dissipative Systems (FFEDS) depends on the reproducibility of the evolution of the system from macro-state A to macro-state B. In an attempt to apply the principle of MEP to astronomical and cosmological structures, we investigate the problematic relationship between gravity and entropy. In the context of open and non-equilibrium systems, we use a generalization of the Gibbs free energy to include the sources of free energy extracted by non-living FFEDS such as hurricanes and convection cells. Redox potential gradients and thermal and pressure gradients provide the free energy for a broad range of FFEDS, both living and non-living. However, these gradients have to be within certain ranges. If the gradients are too weak, FFEDS do not appear. If the gradients are too strong FFEDS disappear. Living and non-living FFEDS often have different source gradients (redox potential gradients vs thermal and pressure gradients) and when they share the same gradient, they exploit different ranges of the gradient. In a preliminary attempt to distinguish living from non-living FFEDS, we investigate the parameter space of: type of gradient and steepness of gradient.

The Dropout Learning Algorithm

PubMed Central

Baldi, Pierre; Sadowski, Peter

2014-01-01

Dropout is a recently introduced algorithm for training neural network by randomly dropping units during training to prevent their co-adaptation. A mathematical analysis of some of the static and dynamic properties of dropout is provided using Bernoulli gating variables, general enough to accommodate dropout on units or connections, and with variable rates. The framework allows a complete analysis of the ensemble averaging properties of dropout in linear networks, which is useful to understand the non-linear case. The ensemble averaging properties of dropout in non-linear logistic networks result from three fundamental equations: (1) the approximation of the expectations of logistic functions by normalized geometric means, for which bounds and estimates are derived; (2) the algebraic equality between normalized geometric means of logistic functions with the logistic of the means, which mathematically characterizes logistic functions; and (3) the linearity of the means with respect to sums, as well as products of independent variables. The results are also extended to other classes of transfer functions, including rectified linear functions. Approximation errors tend to cancel each other and do not accumulate. Dropout can also be connected to stochastic neurons and used to predict firing rates, and to backpropagation by viewing the backward propagation as ensemble averaging in a dropout linear network. Moreover, the convergence properties of dropout can be understood in terms of stochastic gradient descent. Finally, for the regularization properties of dropout, the expectation of the dropout gradient is the gradient of the corresponding approximation ensemble, regularized by an adaptive weight decay term with a propensity for self-consistent variance minimization and sparse representations. PMID:24771879

HyperCard as a Text Analysis Tool for the Qualitative Researcher.

ERIC Educational Resources Information Center

Handler, Marianne G.; Turner, Sandra V.

HyperCard is a general-purpose program for the Macintosh computer that allows multiple ways of viewing and accessing a large body of information. Two ways in which HyperCard can be used as a research tool are illustrated. One way is to organize and analyze qualitative data from observations, interviews, surveys, and other documents. The other way…

Recent developments in LIBXC - A comprehensive library of functionals for density functional theory

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J. T.; Marques, Miguel A. L.

2018-01-01

LIBXC is a library of exchange-correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities.

The influence of pressure relaxation on the structure of an axial vortex

NASA Astrophysics Data System (ADS)

Ash, Robert L.; Zardadkhan, Irfan; Zuckerwar, Allan J.

2011-07-01

Governing equations including the effects of pressure relaxation have been utilized to study an incompressible, steady-state viscous axial vortex with specified far-field circulation. When sound generation is attributed to a velocity gradient tensor-pressure gradient product, the modified conservation of momentum equations that result yield an exact solution for a steady, incompressible axial vortex. The vortex velocity profile has been shown to closely approximate experimental vortex measurements in air and water over a wide range of circulation-based Reynolds numbers. The influence of temperature and humidity on the pressure relaxation coefficient in air has been examined using theoretical and empirical approaches, and published axial vortex experiments have been employed to estimate the pressure relaxation coefficient in water. Non-equilibrium pressure gradient forces have been shown to balance the viscous stresses in the vortex core region, and the predicted pressure deficits that result from this non-equilibrium balance can be substantially larger than the pressure deficits predicted using a Bernoulli equation approach. Previously reported pressure deficit distributions for dust devils and tornados have been employed to validate the non-equilibrium pressure deficit predictions.

Fast Solar Wind from Slowly Expanding Magnetic Flux Tubes (P54)

NASA Astrophysics Data System (ADS)

Srivastava, A. K.; Dwivedi, B. N.

2006-11-01

aks.astro.itbhu@gmail.com We present an empirical model of the fast solar wind, emanating from radially oriented slowly expanding magnetic flux tubes. We consider a single-fluid, steady state model in which the flow is driven by thermal and non-thermal pressure gradients. We apply a non-Alfvénic energy correction at the coronal base and find that specific relations correlate solar wind speed and non-thermal energy flux with the aerial expansion factor. The results are compared with the previously reported ones.

Generalized wall function and its application to compressible turbulent boundary layer over a flat plate

NASA Astrophysics Data System (ADS)

Liu, J.; Wu, S. P.

2017-04-01

Wall function boundary conditions including the effects of compressibility and heat transfer are improved for compressible turbulent boundary flows. Generalized wall function formulation at zero-pressure gradient is proposed based on coupled velocity and temperature profiles in the entire near-wall region. The parameters in the generalized wall function are well revised. The proposed boundary conditions are integrated into Navier-Stokes computational fluid dynamics code that includes the shear stress transport turbulence model. Numerical results are presented for a compressible boundary layer over a flat plate at zero-pressure gradient. Compared with experimental data, the computational results show that the generalized wall function reduces the first grid spacing in the directed normal to the wall and proves the feasibility and effectivity of the generalized wall function method.

The generalized Hill model: A kinematic approach towards active muscle contraction

NASA Astrophysics Data System (ADS)

Göktepe, Serdar; Menzel, Andreas; Kuhl, Ellen

2014-12-01

Excitation-contraction coupling is the physiological process of converting an electrical stimulus into a mechanical response. In muscle, the electrical stimulus is an action potential and the mechanical response is active contraction. The classical Hill model characterizes muscle contraction though one contractile element, activated by electrical excitation, and two non-linear springs, one in series and one in parallel. This rheology translates into an additive decomposition of the total stress into a passive and an active part. Here we supplement this additive decomposition of the stress by a multiplicative decomposition of the deformation gradient into a passive and an active part. We generalize the one-dimensional Hill model to the three-dimensional setting and constitutively define the passive stress as a function of the total deformation gradient and the active stress as a function of both the total deformation gradient and its active part. We show that this novel approach combines the features of both the classical stress-based Hill model and the recent active-strain models. While the notion of active stress is rather phenomenological in nature, active strain is micro-structurally motivated, physically measurable, and straightforward to calibrate. We demonstrate that our model is capable of simulating excitation-contraction coupling in cardiac muscle with its characteristic features of wall thickening, apical lift, and ventricular torsion.

Finite Volume Numerical Methods for Aeroheating Rate Calculations from Infrared Thermographic Data

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.

2003-01-01

The use of multi-dimensional finite volume numerical techniques with finite thickness models for calculating aeroheating rates from measured global surface temperatures on hypersonic wind tunnel models was investigated. Both direct and inverse finite volume techniques were investigated and compared with the one-dimensional semi -infinite technique. Global transient surface temperatures were measured using an infrared thermographic technique on a 0.333-scale model of the Hyper-X forebody in the Langley Research Center 20-Inch Mach 6 Air tunnel. In these tests the effectiveness of vortices generated via gas injection for initiating hypersonic transition on the Hyper-X forebody were investigated. An array of streamwise orientated heating striations were generated and visualized downstream of the gas injection sites. In regions without significant spatial temperature gradients, one-dimensional techniques provided accurate aeroheating rates. In regions with sharp temperature gradients due to the striation patterns two-dimensional heat transfer techniques were necessary to obtain accurate heating rates. The use of the one-dimensional technique resulted in differences of 20% in the calculated heating rates because it did not account for lateral heat conduction in the model.

A Procedure for Structural Weight Estimation of Single Stage to Orbit Launch Vehicles (Interim User's Manual)

NASA Technical Reports Server (NTRS)

Martinovic, Zoran N.; Cerro, Jeffrey A.

2002-01-01

This is an interim user's manual for current procedures used in the Vehicle Analysis Branch at NASA Langley Research Center, Hampton, Virginia, for launch vehicle structural subsystem weight estimation based on finite element modeling and structural analysis. The process is intended to complement traditional methods of conceptual and early preliminary structural design such as the application of empirical weight estimation or application of classical engineering design equations and criteria on one dimensional "line" models. Functions of two commercially available software codes are coupled together. Vehicle modeling and analysis are done using SDRC/I-DEAS, and structural sizing is performed with the Collier Research Corp. HyperSizer program.

A study on the unsteady flow of two immiscible micropolar and Newtonian fluids through a horizontal channel: A numerical approach

NASA Astrophysics Data System (ADS)

Devakar, M.; Raje, Ankush

2018-05-01

The unsteady flow of two immiscible micropolar and Newtonian fluids through a horizontal channel is considered. In addition to the classical no-slip and hyper-stick conditions at the boundary, it is assumed that the fluid velocities and shear stresses are continuous across the fluid-fluid interface. Three cases for the applied pressure gradient are considered to study the problem: one with constant pressure gradient and the other two cases with time-dependent pressure gradients, viz. periodic and decaying pressure gradient. The Crank-Nicolson approach has been used to obtain numerical solutions for fluid velocity and microrotation for diverse sets of fluid parameters. The nature of fluid velocities and microrotation with various values of pressure gradient, Reynolds number, ratio of viscosities, micropolarity parameter and time is illustrated through graphs. It has been observed that micropolarity parameter and ratio of viscosities reduce the fluid velocities.

Understanding differences between DELFT3D and empirical predictions of alongshore sediment transport gradients

USGS Publications Warehouse

List, Jeffrey; Benedet, Lindino; Hanes, Daniel M.; Ruggiero, Peter

2009-01-01

Predictions of alongshore transport gradients are critical for forecasting shoreline change. At the previous ICCE conference, it was demonstrated that alongshore transport gradients predicted by the empirical CERC equation can differ substantially from predictions made by the hydrodynamics-based model Delft3D in the case of a simulated borrow pit on the shoreface. Here we use the Delft3D momentum balance to examine the reason for this difference. Alongshore advective flow accelerations in our Delft3D simulation are mainly driven by pressure gradients resulting from alongshore variations in wave height and setup, and Delft3D transport gradients are controlled by these flow accelerations. The CERC equation does not take this process into account, and for this reason a second empirical transport term is sometimes added when alongshore gradients in wave height are thought to be significant. However, our test case indicates that this second term does not properly predict alongshore transport gradients.

HYPERCLIPS

NASA Technical Reports Server (NTRS)

Hill, R. W.

1994-01-01

The integration of CLIPS into HyperCard combines the intuitive, interactive user interface of the Macintosh with the powerful symbolic computation of an expert system interpreter. HyperCard is an excellent environment for quickly developing the front end of an application with buttons, dialogs, and pictures, while the CLIPS interpreter provides a powerful inference engine for complex problem solving and analysis. In order to understand the benefit of integrating HyperCard and CLIPS, consider the following: HyperCard is an information storage and retrieval system which exploits the use of the graphics and user interface capabilities of the Apple Macintosh computer. The user can easily define buttons, dialog boxes, information templates, pictures, and graphic displays through the use of the HyperCard tools and scripting language. What is generally lacking in this environment is a powerful reasoning engine for complex problem solving, and this is where CLIPS plays a role. CLIPS 5.0 (C Language Integrated Production System, v5.0) was developed at the Johnson Space Center Software Technology Branch to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 5.0 supports forward chaining rule systems, object-oriented language, and procedural programming for the construction of expert systems. It features incremental reset, seven conflict resolution stategies, truth maintenance, and user-defined external functions. Since CLIPS is implemented in the C language it is highly portable; in addition, it is embeddable as a callable routine from a program written in another language such as Ada or Fortran. By integrating HyperCard and CLIPS the advantages and uses of both packages are made available for a wide range of applications: rapid prototyping of knowledge-based expert systems, interactive simulations of physical systems and intelligent control of hypertext processes, to name a few. HyperCLIPS 2.0 is written in C-Language (54%) and Pascal (46%) for Apple Macintosh computers running Macintosh System 6.0.2 or greater. HyperCLIPS requires HyperCard 1.2 or higher and at least 2Mb of RAM are recommended to run. An executable is provided. To compile the source code, the Macintosh Programmer's Workshop (MPW) version 3.0, CLIPS 5.0 (MSC-21927), and the MPW C-Language compiler are also required. NOTE: Installing this program under Macintosh System 7 requires HyperCard v2.1. This program is distributed on a 3.5 inch Macintosh format diskette. A copy of the program documentation is included on the diskette, but may be purchased separately. HyperCLIPS was developed in 1990 and version 2.0 was released in 1991. HyperCLIPS is a copyrighted work with all copyright vested in NASA. Apple, Macintosh, MPW, and HyperCard are registered trademarks of Apple Computer, Inc.

Gradient descent for robust kernel-based regression

NASA Astrophysics Data System (ADS)

Guo, Zheng-Chu; Hu, Ting; Shi, Lei

2018-06-01

In this paper, we study the gradient descent algorithm generated by a robust loss function over a reproducing kernel Hilbert space (RKHS). The loss function is defined by a windowing function G and a scale parameter σ, which can include a wide range of commonly used robust losses for regression. There is still a gap between theoretical analysis and optimization process of empirical risk minimization based on loss: the estimator needs to be global optimal in the theoretical analysis while the optimization method can not ensure the global optimality of its solutions. In this paper, we aim to fill this gap by developing a novel theoretical analysis on the performance of estimators generated by the gradient descent algorithm. We demonstrate that with an appropriately chosen scale parameter σ, the gradient update with early stopping rules can approximate the regression function. Our elegant error analysis can lead to convergence in the standard L 2 norm and the strong RKHS norm, both of which are optimal in the mini-max sense. We show that the scale parameter σ plays an important role in providing robustness as well as fast convergence. The numerical experiments implemented on synthetic examples and real data set also support our theoretical results.

A Routine 'Top-Down' Approach to Analysis of the Human Serum Proteome.

PubMed

D'Silva, Arlene M; Hyett, Jon A; Coorssen, Jens R

2017-06-06

Serum provides a rich source of potential biomarker proteoforms. One of the major obstacles in analysing serum proteomes is detecting lower abundance proteins owing to the presence of hyper-abundant species (e.g., serum albumin and immunoglobulins). Although depletion methods have been used to address this, these can lead to the concomitant removal of non-targeted protein species, and thus raise issues of specificity, reproducibility, and the capacity for meaningful quantitative analyses. Altering the native stoichiometry of the proteome components may thus yield a more complex series of issues than dealing directly with the inherent complexity of the sample. Hence, here we targeted method refinements so as to ensure optimum resolution of serum proteomes via a top down two-dimensional gel electrophoresis (2DE) approach that enables the routine assessment of proteoforms and is fully compatible with subsequent mass spectrometric analyses. Testing included various fractionation and non-fractionation approaches. The data show that resolving 500 µg protein on 17 cm 3-10 non-linear immobilised pH gradient strips in the first dimension followed by second dimension resolution on 7-20% gradient gels with a combination of lithium dodecyl sulfate (LDS) and sodium dodecyl sulfate (SDS) detergents markedly improves the resolution and detection of proteoforms in serum. In addition, well established third dimension electrophoretic separations in combination with deep imaging further contributed to the best available resolution, detection, and thus quantitative top-down analysis of serum proteomes.

4D Hyperspherical Harmonic (HyperSPHARM) Representation of Surface Anatomy: A Holistic Treatment of Multiple Disconnected Anatomical Structures

PubMed Central

Hosseinbor, A. Pasha; Chung, Moo K.; Koay, Cheng Guan; Schaefer, Stacey M.; van Reekum, Carien M.; Schmitz, Lara Peschke; Sutterer, Matt; Alexander, Andrew L.; Davidson, Richard J.

2015-01-01

Image-based parcellation of the brain often leads to multiple disconnected anatomical structures, which pose significant challenges for analyses of morphological shapes. Existing shape models, such as the widely used spherical harmonic (SPHARM) representation, assume topological invariance, so are unable to simultaneously parameterize multiple disjoint structures. In such a situation, SPHARM has to be applied separately to each individual structure. We present a novel surface parameterization technique using 4D hyperspherical harmonics in representing multiple disjoint objects as a single analytic function, terming it HyperSPHARM. The underlying idea behind Hyper-SPHARM is to stereographically project an entire collection of disjoint 3D objects onto the 4D hypersphere and subsequently simultaneously parameterize them with the 4D hyperspherical harmonics. Hence, HyperSPHARM allows for a holistic treatment of multiple disjoint objects, unlike SPHARM. In an imaging dataset of healthy adult human brains, we apply HyperSPHARM to the hippocampi and amygdalae. The HyperSPHARM representations are employed as a data smoothing technique, while the HyperSPHARM coefficients are utilized in a support vector machine setting for object classification. HyperSPHARM yields nearly identical results as SPHARM, as will be shown in the paper. Its key advantage over SPHARM lies computationally; Hyper-SPHARM possess greater computational efficiency than SPHARM because it can parameterize multiple disjoint structures using much fewer basis functions and stereographic projection obviates SPHARM's burdensome surface flattening. In addition, HyperSPHARM can handle any type of topology, unlike SPHARM, whose analysis is confined to topologically invariant structures. PMID:25828650

Systematics for T2K/Hyper-K (Review Talk)

NASA Astrophysics Data System (ADS)

Shah, Raj

Hyper-Kamiokande is a proposed next generation underground water Cherenkov detector. Presented here is a review of sensitivities and dominant uncertainties associated with measurements of CP violation and non-maximal mixing in the 2-3 sector.

Constraints on trait combinations explain climatic drivers of biodiversity: the importance of trait covariance in community assembly.

PubMed

Dwyer, John M; Laughlin, Daniel C

2017-07-01

Trade-offs maintain diversity and structure communities along environmental gradients. Theory indicates that if covariance among functional traits sets a limit on the number of viable trait combinations in a given environment, then communities with strong multidimensional trait constraints should exhibit low species diversity. We tested this prediction in winter annual plant assemblages along an aridity gradient using multilevel structural equation modelling. Univariate and multivariate functional diversity measures were poorly explained by aridity, and were surprisingly poor predictors of community richness. By contrast, the covariance between maximum height and seed mass strengthened along the aridity gradient, and was strongly associated with richness declines. Community richness had a positive effect on local neighbourhood richness, indicating that climate effects on trait covariance indirectly influence diversity at local scales. We present clear empirical evidence that declines in species richness along gradients of environmental stress can be due to increasing constraints on multidimensional phenotypes. © 2017 John Wiley & Sons Ltd/CNRS.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

NASA Astrophysics Data System (ADS)

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-01

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 1010 choices carved out of a functional space of almost 1040 possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.

Establishing Functional Relationships between Abiotic Environment, Macrophyte Coverage, Resource Gradients and the Distribution of Mytilus trossulus in a Brackish Non-Tidal Environment.

PubMed

Kotta, Jonne; Oganjan, Katarina; Lauringson, Velda; Pärnoja, Merli; Kaasik, Ants; Rohtla, Liisa; Kotta, Ilmar; Orav-Kotta, Helen

2015-01-01

Benthic suspension feeding mussels are an important functional guild in coastal and estuarine ecosystems. To date we lack information on how various environmental gradients and biotic interactions separately and interactively shape the distribution patterns of mussels in non-tidal environments. Opposing to tidal environments, mussels inhabit solely subtidal zone in non-tidal waterbodies and, thereby, driving factors for mussel populations are expected to differ from the tidal areas. In the present study, we used the boosted regression tree modelling (BRT), an ensemble method for statistical techniques and machine learning, in order to explain the distribution and biomass of the suspension feeding mussel Mytilus trossulus in the non-tidal Baltic Sea. BRT models suggested that (1) distribution patterns of M. trossulus are largely driven by separate effects of direct environmental gradients and partly by interactive effects of resource gradients with direct environmental gradients. (2) Within its suitable habitat range, however, resource gradients had an important role in shaping the biomass distribution of M. trossulus. (3) Contrary to tidal areas, mussels were not competitively superior over macrophytes with patterns indicating either facilitative interactions between mussels and macrophytes or co-variance due to common stressor. To conclude, direct environmental gradients seem to define the distribution pattern of M. trossulus, and within the favourable distribution range, resource gradients in interaction with direct environmental gradients are expected to set the biomass level of mussels.

Establishing Functional Relationships between Abiotic Environment, Macrophyte Coverage, Resource Gradients and the Distribution of Mytilus trossulus in a Brackish Non-Tidal Environment

PubMed Central

Kotta, Jonne; Oganjan, Katarina; Lauringson, Velda; Pärnoja, Merli; Kaasik, Ants; Rohtla, Liisa; Kotta, Ilmar; Orav-Kotta, Helen

2015-01-01

Benthic suspension feeding mussels are an important functional guild in coastal and estuarine ecosystems. To date we lack information on how various environmental gradients and biotic interactions separately and interactively shape the distribution patterns of mussels in non-tidal environments. Opposing to tidal environments, mussels inhabit solely subtidal zone in non-tidal waterbodies and, thereby, driving factors for mussel populations are expected to differ from the tidal areas. In the present study, we used the boosted regression tree modelling (BRT), an ensemble method for statistical techniques and machine learning, in order to explain the distribution and biomass of the suspension feeding mussel Mytilus trossulus in the non-tidal Baltic Sea. BRT models suggested that (1) distribution patterns of M. trossulus are largely driven by separate effects of direct environmental gradients and partly by interactive effects of resource gradients with direct environmental gradients. (2) Within its suitable habitat range, however, resource gradients had an important role in shaping the biomass distribution of M. trossulus. (3) Contrary to tidal areas, mussels were not competitively superior over macrophytes with patterns indicating either facilitative interactions between mussels and macrophytes or co-variance due to common stressor. To conclude, direct environmental gradients seem to define the distribution pattern of M. trossulus, and within the favourable distribution range, resource gradients in interaction with direct environmental gradients are expected to set the biomass level of mussels. PMID:26317668

Hyperunified field theory and gravitational gauge-geometry duality

NASA Astrophysics Data System (ADS)

Wu, Yue-Liang

2018-01-01

A hyperunified field theory is built in detail based on the postulates of gauge invariance and coordinate independence along with the conformal scaling symmetry. All elementary particles are merged into a single hyper-spinor field and all basic forces are unified into a fundamental interaction governed by the hyper-spin gauge symmetry SP(1, D_h-1). The dimension D_h of hyper-spacetime is conjectured to have a physical origin in correlation with the hyper-spin charge of elementary particles. The hyper-gravifield fiber bundle structure of biframe hyper-spacetime appears naturally with the globally flat Minkowski hyper-spacetime as a base spacetime and the locally flat hyper-gravifield spacetime as a fiber that is viewed as a dynamically emerged hyper-spacetime characterized by a non-commutative geometry. The gravitational origin of gauge symmetry is revealed with the hyper-gravifield that plays an essential role as a Goldstone-like field. The gauge-gravity and gravity-geometry correspondences bring about the gravitational gauge-geometry duality. The basic properties of hyperunified field theory and the issue on the fundamental scale are analyzed within the framework of quantum field theory, which allows us to describe the laws of nature in deriving the gauge gravitational equation with the conserved current and the geometric gravitational equations of Einstein-like type and beyond.

A General, Synthetic Model for Predicting Biodiversity Gradients from Environmental Geometry.

PubMed

Gross, Kevin; Snyder-Beattie, Andrew

2016-10-01

Latitudinal and elevational biodiversity gradients fascinate ecologists, and have inspired dozens of explanations. The geometry of the abiotic environment is sometimes thought to contribute to these gradients, yet evaluations of geometric explanations are limited by a fragmented understanding of the diversity patterns they predict. This article presents a mathematical model that synthesizes multiple pathways by which environmental geometry can drive diversity gradients. The model characterizes species ranges by their environmental niches and limits on range sizes and places those ranges onto the simplified geometries of a sphere or cone. The model predicts nuanced and realistic species-richness gradients, including latitudinal diversity gradients with tropical plateaus and mid-latitude inflection points and elevational diversity gradients with low-elevation diversity maxima. The model also illustrates the importance of a mid-environment effect that augments species richness at locations with intermediate environments. Model predictions match multiple empirical biodiversity gradients, depend on ecological traits in a testable fashion, and formally synthesize elements of several geometric models. Together, these results suggest that previous assessments of geometric hypotheses should be reconsidered and that environmental geometry may play a deeper role in driving biodiversity gradients than is currently appreciated.

Gradient optimization and nonlinear control

NASA Technical Reports Server (NTRS)

Hasdorff, L.

1976-01-01

The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

Large Airborne Full Tensor Gradient Data Inversion Based on a Non-Monotone Gradient Method

NASA Astrophysics Data System (ADS)

Sun, Yong; Meng, Zhaohai; Li, Fengting

2018-03-01

Following the development of gravity gradiometer instrument technology, the full tensor gravity (FTG) data can be acquired on airborne and marine platforms. Large-scale geophysical data can be obtained using these methods, making such data sets a number of the "big data" category. Therefore, a fast and effective inversion method is developed to solve the large-scale FTG data inversion problem. Many algorithms are available to accelerate the FTG data inversion, such as conjugate gradient method. However, the conventional conjugate gradient method takes a long time to complete data processing. Thus, a fast and effective iterative algorithm is necessary to improve the utilization of FTG data. Generally, inversion processing is formulated by incorporating regularizing constraints, followed by the introduction of a non-monotone gradient-descent method to accelerate the convergence rate of FTG data inversion. Compared with the conventional gradient method, the steepest descent gradient algorithm, and the conjugate gradient algorithm, there are clear advantages of the non-monotone iterative gradient-descent algorithm. Simulated and field FTG data were applied to show the application value of this new fast inversion method.

Hyper-luminous dust-obscured galaxies discovered by the Hyper Suprime-Cam on Subaru and WISE

NASA Astrophysics Data System (ADS)

Toba, Yoshiki; Nagao, Tohru; Strauss, Michael A.; Aoki, Kentaro; Goto, Tomotsugu; Imanishi, Masatoshi; Kawaguchi, Toshihiro; Terashima, Yuichi; Ueda, Yoshihiro; Bosch, James; Bundy, Kevin; Doi, Yoshiyuki; Inami, Hanae; Komiyama, Yutaka; Lupton, Robert H.; Matsuhara, Hideo; Matsuoka, Yoshiki; Miyazaki, Satoshi; Morokuma, Tomoki; Nakata, Fumiaki; Oi, Nagisa; Onoue, Masafusa; Oyabu, Shinki; Price, Paul; Tait, Philip J.; Takata, Tadafumi; Tanaka, Manobu M.; Terai, Tsuyoshi; Turner, Edwin L.; Uchida, Tomohisa; Usuda, Tomonori; Utsumi, Yousuke; Yamada, Yoshihiko; Wang, Shiang-Yu

2015-10-01

We present the photometric properties of a sample of infrared (IR) bright dust-obscured galaxies (DOGs). Combining wide and deep optical images obtained with the Hyper Suprime-Cam on the Subaru Telescope and all-sky mid-IR (MIR) images taken with Wide-Field Infrared Survey Explorer, we discovered 48 DOGs with i - Ks > 1.2 and i - [22] > 7.0, where i, Ks, and [22] represent AB magnitude in the i-band, Ks-band, and 22 μm, respectively, in the GAMA 14 hr field (˜ 9 deg2). Among these objects, 31 (˜ 65%) show power-law spectral energy distributions (SEDs) in the near-IR (NIR) and MIR regime, while the remainder show an NIR bump in their SEDs. Assuming that the redshift distribution for our DOGs sample is Gaussian, with mean and sigma z = 1.99 ± 0.45, we calculated their total IR luminosity using an empirical relation between 22 μm luminosity and total IR luminosity. The average value of the total IR luminosity is (3.5 ± 1.1) × 1013 L⊙, which classifies them as hyper-luminous infrared galaxies. We also derived the total IR luminosity function (LF) and IR luminosity density (LD) for a flux-limited subsample of 18 DOGs with 22 μm flux greater than 3.0 mJy and with i-band magnitude brighter than 24 AB magnitude. The derived space density for this subsample is log φ = -6.59 ± 0.11 [Mpc-3]. The IR LF for DOGs including data obtained from the literature is fitted well by a double-power law. The derived lower limit for the IR LD for our sample is ρIR ˜ 3.8 × 107 [L⊙ Mpc-3] and its contributions to the total IR LD, IR LD of all ultra-luminous infrared galaxies, and that of all DOGs are > 3%, > 9%, and > 15%, respectively.

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme.

PubMed

Li, Shaohong L; Truhlar, Donald G

2015-07-14

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme

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

Li, Shaohong L.; Truhlar, Donald G.

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less

Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme

DOE PAGES

Li, Shaohong L.; Truhlar, Donald G.

2015-05-22

Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations andmore » atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.« less

Structural stability, elastic and thermodynamic properties of Au-Cu alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Kong, Ge-Xing; Ma, Xiao-Juan; Liu, Qi-Jun; Li, Yong; Liu, Zheng-Tang

2018-03-01

Using first-principles calculations method based on density functional theory (DFT) with the Perdew-Burke-Ernzerhof (PBE) implementation of the generalized gradient approximation (GGA), we investigate the structural, elastic and thermodynamic properties of gold-copper intermetallic compounds (Au-Cu ICs). The calculated lattice parameters are in excellent agreement with experimental data. The elastic constants show that all the investigated Au-Cu alloys are mechanically stable. Elastic properties, including the shear modulus, Young's modulus, Poisson's ratio and Pugh's indicator, of the intermetallic compounds are evaluated and discussed, with special attention to the remarkable anisotropy displayed by Au-Cu ICs. Thermodynamic and transport properties including the Debye temperature, thermal conductivity and melting point are predicted from the averaged sound velocity and elastic moduli, using semi-empirical formulas.

A non-linear regression analysis program for describing electrophysiological data with multiple functions using Microsoft Excel.

PubMed

Brown, Angus M

2006-04-01

The objective of this present study was to demonstrate a method for fitting complex electrophysiological data with multiple functions using the SOLVER add-in of the ubiquitous spreadsheet Microsoft Excel. SOLVER minimizes the difference between the sum of the squares of the data to be fit and the function(s) describing the data using an iterative generalized reduced gradient method. While it is a straightforward procedure to fit data with linear functions, and we have previously demonstrated a method of non-linear regression analysis of experimental data based upon a single function, it is more complex to fit data with multiple functions, usually requiring specialized expensive computer software. In this paper we describe an easily understood program for fitting experimentally acquired data, in this case the stimulus-evoked compound action potential from the mouse optic nerve, with multiple Gaussian functions. The program is flexible and can be applied to describe data with a wide variety of user-input functions.

Contrasting distribution patterns of invasive and naturalized non-native species along environmental gradients in a semi-arid montane ecosystem

Treesearch

Kelly M. Andersen; Bridgett J. Naylor; Bryan A. Endress; Catherine G. Parks

2015-01-01

Questions: Mountain systems have high abiotic heterogeneity over local spatial scales, offering natural experiments for examining plant species invasions. We ask whether functional groupings explain non-native species spread into native vegetation and up elevation gradients.We examine whether non-native species distribution patterns are related to environmental...

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

PubMed

Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

2015-09-08

We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

Numerical optimization in Hilbert space using inexact function and gradient evaluations

NASA Technical Reports Server (NTRS)

Carter, Richard G.

1989-01-01

Trust region algorithms provide a robust iterative technique for solving non-convex unstrained optimization problems, but in many instances it is prohibitively expensive to compute high accuracy function and gradient values for the method. Of particular interest are inverse and parameter estimation problems, since function and gradient evaluations involve numerically solving large systems of differential equations. A global convergence theory is presented for trust region algorithms in which neither function nor gradient values are known exactly. The theory is formulated in a Hilbert space setting so that it can be applied to variational problems as well as the finite dimensional problems normally seen in trust region literature. The conditions concerning allowable error are remarkably relaxed: relative errors in the gradient error condition is automatically satisfied if the error is orthogonal to the gradient approximation. A technique for estimating gradient error and improving the approximation is also presented.

Propulsion System Airframe Integration Issues and Aerodynamic Database Development for the Hyper-X Flight Research Vehicle

NASA Technical Reports Server (NTRS)

Engelund, Walter C.; Holland, Scott D.; Cockrell, Charles E., Jr.; Bittner, Robert D.

1999-01-01

NASA's Hyper-X Research Vehicle will provide a unique opportunity to obtain data on an operational airframe integrated scramjet propulsion system at true flight conditions. The airframe integrated nature of the scramjet engine with the Hyper-X vehicle results in a strong coupling effect between the propulsion system operation and the airframe s basic aerodynamic characteristics. Comments on general airframe integrated scramjet propulsion system effects on vehicle aerodynamic performance, stability, and control are provided, followed by examples specific to the Hyper-X research vehicle. An overview is provided of the current activities associated with the development of the Hyper-X aerodynamic database, including wind tunnel test activities and parallel CFD analysis efforts. A brief summary of the Hyper-X aerodynamic characteristics is provided, including the direct and indirect effects of the airframe integrated scramjet propulsion system operation on the basic airframe stability and control characteristics.

Quality of Life and Bronchial Hyper-Responsiveness in Subjects With Bronchiectasis: Validation of the Seattle Obstructive Lung Disease Questionnaire in Bronchiectasis.

PubMed

Bulcun, Emel; Arslan, Mesut; Ekici, Aydanur; Ekici, Mehmet

2015-11-01

Bronchiectasis can adversely affect quality of life. However, the tests examining quality of life in bronchiectasis are not sufficient. We examined the validity of a measure designed for COPD, the Seattle Obstructive Lung Disease Questionnaire (SOLQ), in bronchiectasis. In addition, we aimed to compare the quality of life of subjects with bronchiectasis and bronchial hyper-responsiveness with that of those without to identify the effective factors. We studied 78 subjects with clinically stable bronchiectasis and 41 healthy controls matched for age and sex. Subjects were assessed by the SOLQ. A detailed history, physical examination, the Medical Outcomes Study 36-Item Short Form questionnaire, the Hospital Anxiety and Depression Scale, and spirometric measurements were obtained. Cronbach α coefficients, which reflected internal consistency, were >0.70 for all SOLQ components except for treatment satisfaction. SOLQ component scores correlated with all of the component scores of the Medical Outcomes Study 36-Item Short Form questionnaire and the Hospital Anxiety and Depression Scale, confirming their concurrent validity. All SOLQ scores correlated positively with percent-of-predicted FEV1, whereas the physical function, treatment satisfaction, and emotional function correlated negatively with the exacerbation frequency in Pearson analysis. Emotional and physical functions were positively associated with percent-of-predicted FEV1 in linear regression analysis. Compared with subjects without bronchial hyper-responsiveness, those with bronchial hyper-responsiveness had lower FEV1/FVC and more exacerbations/y. Compared with bronchiectasis subjects without bronchial hyper-responsiveness, those with bronchial hyper-responsiveness had significantly lower SOLQ, physical function, and coping skills scores but not emotional function and treatment satisfaction. The SOLQ is a valid instrument for determining quality of life in subjects with bronchiectasis. Subjects with bronchiectasis and bronchial hyper-responsiveness had a poorer quality of life, lower baseline spirometric values, and more frequent exacerbations, suggesting more severe disease. Copyright © 2015 by Daedalus Enterprises.

Distribution pattern of reptiles along an eastern Himalayan elevation gradient, India

NASA Astrophysics Data System (ADS)

Chettri, Basundhara; Bhupathy, Subramanian; Acharya, Bhoj Kumar

2010-01-01

We examined the spatial distribution pattern of reptiles in an eastern Himalayan elevation gradient. The factors governing the distribution have been assessed with emphasis on the mid-domain effect. We surveyed reptiles along the elevation gradient (300-4800 m) of the Teesta valley in Sikkim, Eastern Himalaya, India using time constrained visual encounter survey. A total of 42 species of reptiles were observed during the study, and the species richness peaked at 500-1000 m with no species beyond 3000 m. The observed pattern was consistent with estimated richness, both showing significant negative relation with elevation. Lizards showed a linear decline with elevation, whereas snakes followed a non-linear relation with peak at 500-1000 m. Observed species richness deviated significantly from that predicted by a mid-domain null model. The regression between empirical and simulated richness was not significant for total reptiles as well as lizards and snakes separately. Most species distributed in the high elevation extended towards lower elevation, but low elevation species (around 50%) were restricted below 1000 m. Deviation of empirical from predicted richness indicates that the distributions of reptile species were least governed by geographic hard boundaries. Climatic factors especially temperature explained much variation of reptiles along the Himalayan elevation gradient. Most reptiles were narrowly distributed, especially those found in low elevation indicating the importance of tropical low-land forests in the conservation of reptiles in Eastern Himalayas.

Signatures of local adaptation along environmental gradients in a range-expanding damselfly (Ischnura elegans).

PubMed

Dudaniec, Rachael Y; Yong, Chuan Ji; Lancaster, Lesley T; Svensson, Erik I; Hansson, Bengt

2018-06-01

Insect distributions are shifting rapidly in response to climate change and are undergoing rapid evolutionary change. We investigate the molecular signatures underlying local adaptation in the range-expanding damselfly, Ischnura elegans. Using a landscape genomic approach combined with generalized dissimilarity modelling (GDM), we detect selection signatures on loci via allelic frequency change along environmental gradients. We analyse 13,612 single nucleotide polymorphisms (SNPs), derived from restriction site-associated DNA sequencing (RADseq), in 426 individuals from 25 sites spanning the I. elegans distribution in Sweden, including its expanding northern range edge. Environmental association analysis (EAA) and the magnitude of allele frequency change along the range expansion gradient revealed significant signatures of selection in relation to high maximum summer temperature, high mean annual precipitation and low wind speeds at the range edge. SNP annotations with significant signatures of selection revealed gene functions associated with ongoing range expansion, including heat shock proteins (HSP40 and HSP70), ion transport (V-ATPase) and visual processes (long-wavelength-sensitive opsin), which have implications for thermal stress response, salinity tolerance and mate discrimination, respectively. We also identified environmental thresholds where climate-mediated selection is likely to be strong, and indicate that I. elegans is rapidly adapting to the climatic environment during its ongoing range expansion. Our findings empirically validate an integrative approach for detecting spatially explicit signatures of local adaptation along environmental gradients. © 2018 John Wiley & Sons Ltd.

Chinese Fantasy Novel: Empirical Study on New Word Teaching for Non-Native Learners

ERIC Educational Resources Information Center

Meng, Bok Check; Soon, Goh Ying

2014-01-01

Giving additional learning materials such as Chinese fantasy novel to non-native learners can be strenuous. This study seeks to render empirical support on the usefulness of the use of new words in Chinese fantasy novel to enhance vocabulary learning among the non-native learners of Chinese. In general, the students agreed that they like to learn…

Electromagnetic Coupling of Negative Parity Nucleon Resonances N (1535) Based on Nonrelativistic Constituent Quark Model

NASA Astrophysics Data System (ADS)

Parsaei, Sara; Rajabi, Ali Akbar

2018-01-01

The electromagnetic transition between the nucleon and excited baryons has long been recognized as an important source of information for understanding strong interactions in the domain of quark confinement. We study the electromagnetic properties of the excitation of the negative parity the N*(1535) resonances in the nonrelativistic constituent quark model at large momentum transfers and have performed a calculation the longitudinal and transverse helicity amplitudes. Since the helicity amplitudes depend strongly on the quark wave function in this paper, we consider the baryon as a simple, non-relativistically three-body quark model and also consider a hypercentral potential scheme for the internal baryon structure, which makes three-body forces among three quarks. Since the hyper central potential depends only on the hyper radius, therefore, the Cornell potential which is a combination of the Coulombic-like term plus a linear confining term is considered as the potential for interaction between quarks. In our work, in solving the Schrodinger equation with the Cornell potential, the Nikiforov-Uvarov method employed, and the analytic eigen-energies and eigen-functions obtained. By using the obtained eigen-functions, the transition amplitudes calculated. We show that our results in the range {{{Q}}}2> 2 {{GeV}}2 lead to an overall better agreement with the experimental data in comparison with the other three non-relativistic quark models.

On the Convergence Analysis of the Optimized Gradient Method.

PubMed

Kim, Donghwan; Fessler, Jeffrey A

2017-01-01

This paper considers the problem of unconstrained minimization of smooth convex functions having Lipschitz continuous gradients with known Lipschitz constant. We recently proposed the optimized gradient method for this problem and showed that it has a worst-case convergence bound for the cost function decrease that is twice as small as that of Nesterov's fast gradient method, yet has a similarly efficient practical implementation. Drori showed recently that the optimized gradient method has optimal complexity for the cost function decrease over the general class of first-order methods. This optimality makes it important to study fully the convergence properties of the optimized gradient method. The previous worst-case convergence bound for the optimized gradient method was derived for only the last iterate of a secondary sequence. This paper provides an analytic convergence bound for the primary sequence generated by the optimized gradient method. We then discuss additional convergence properties of the optimized gradient method, including the interesting fact that the optimized gradient method has two types of worstcase functions: a piecewise affine-quadratic function and a quadratic function. These results help complete the theory of an optimal first-order method for smooth convex minimization.

On the Convergence Analysis of the Optimized Gradient Method

PubMed Central

Kim, Donghwan; Fessler, Jeffrey A.

2016-01-01

This paper considers the problem of unconstrained minimization of smooth convex functions having Lipschitz continuous gradients with known Lipschitz constant. We recently proposed the optimized gradient method for this problem and showed that it has a worst-case convergence bound for the cost function decrease that is twice as small as that of Nesterov’s fast gradient method, yet has a similarly efficient practical implementation. Drori showed recently that the optimized gradient method has optimal complexity for the cost function decrease over the general class of first-order methods. This optimality makes it important to study fully the convergence properties of the optimized gradient method. The previous worst-case convergence bound for the optimized gradient method was derived for only the last iterate of a secondary sequence. This paper provides an analytic convergence bound for the primary sequence generated by the optimized gradient method. We then discuss additional convergence properties of the optimized gradient method, including the interesting fact that the optimized gradient method has two types of worstcase functions: a piecewise affine-quadratic function and a quadratic function. These results help complete the theory of an optimal first-order method for smooth convex minimization. PMID:28461707

Ab initio conformational analysis of N-formyl ?-alanine amide including electron correlation

NASA Astrophysics Data System (ADS)

Yu, Ching-Hsing; Norman, Mya A.; Schäfer, Lothar; Ramek, Michael; Peeters, Anik; van Alsenoy, Christian

2001-06-01

The conformational properties of N-formyl L-alanine amide (ALA) were investigated using RMP2/6-311G∗∗ ab initio gradient geometry optimization. One hundred forty four structures of ALA were optimized at 30° grid points in its φ(N-C(α)), ψ(C(α)-C‧) conformational space. Using cubic spline functions, the grid structures were then used to construct analytical representations of complete surfaces, in φ,ψ-space, of bond lengths, bond angles, torsional sensitivity and electrostatic atomic charges. Analyses show that, in agreement with previous studies, the right-handed helical conformation, αR, is not a local energy minimum of the potential energy surface of ALA. Comparisons with protein crystallographic data show that the characteristic differences between geometrical trends in dipeptides and proteins, previously found for ab initio dipeptide structures obtained without electron correlation, are also found in the electron-correlated geometries. In contrast to generally accepted features of force fields used in empirical molecular modeling, partial atomic charges obtained by the CHELPG method are found to be not constant, but to vary significantly throughout the φ,ψ-space. By comparing RHF and MP2 structures, the effects of dispersion forces on ALA were studied, revealing molecular contractions for those conformations, in which small adjustments of torsional angles entail large changes in non-bonded distances.

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

PubMed

Khantuleva, Tatiana A; Shalymov, Dmitry S

2017-03-06

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle

NASA Astrophysics Data System (ADS)

Khantuleva, Tatiana A.; Shalymov, Dmitry S.

2017-03-01

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed. This article is part of the themed issue 'Horizons of cybernetical physics'.

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle

PubMed Central

Khantuleva, Tatiana A.

2017-01-01

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed. This article is part of the themed issue ‘Horizons of cybernetical physics’. PMID:28115617

[Fundus autofluorescence. Has it a place in the management of diabetic macular edema?

PubMed

Zbiba, W; Baba, A; Bouayed, E; Daldoul, A

2016-11-01

Analyze the characteristics of fundus autofluorescence of diabetic macular edema and study the association between these characteristics and visual function. Our study included 18 patients (28 eyes) with clinically significant diabetic macular edema. All patients had a complete eye examination with a fundus autofluorescence imaging and optical coherence tomography. The central macular thickness and central macular volume were measured. The integrity of the inner segment-outer segment junction and the integrity of the external limiting membrane were also evaluated in the same area. Among the 28 eyes studied, 8 had normal autofluorescence. The remaining 20 eyes had abnormal autofluorescence: a hyper-cystoid autofluorescence in 5 eyes (25%), hyper-spot autofluorescence in 8 eyes (40%), and hypo-irregular autofluorescence in 5 eyes (25%). Best corrected visual acuity was significantly better in patients with normal autofluorescence and those with hyper-cystoid autofluorescence. There was no significant difference in central macular thickness (P=0.186) and central macular volume (P=0.191) between the four groups. The autofluorescence is a simple, fast, and non-invasive technique for the study of diabetic macular edema with good correlation to the visual function as well as to the extent of damage to the retina. It is, therefore, a possible alternative to other invasive imaging techniques in particular in the long term monitoring of diabetic macular edema. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

A non-equilibrium thermodynamics model of reconstituted Ca(2+)-ATPase.

PubMed

Waldeck, A R; van Dam, K; Berden, J; Kuchel, P W

1998-01-01

A non-equilibrium thermodynamics (NET) model describing the action of completely coupled or 'slipping' reconstituted Ca(2+)-ATPase is presented. Variation of the coupling stoichiometries with the magnitude of the electrochemical gradients, as the ATPase hydrolyzes ATP, is an indication of molecular slip. However, the Ca2+ and H+ membrane-leak conductances may also be a function of their respective gradients. Such non-ohmic leak typically yields 'flow-force' relationships that are similar to those that are obtained when the pump slips; hence, caution needs to be exercised when interpreting data of Ca(2+)-ATPase-mediated fluxes that display a non-linear dependence on the electrochemical proton (delta mu H) and/or calcium gradients (delta mu Ca). To address this issue, three experimentally verifiable relationships differentiating between membrane leak and enzymic slip were derived. First, by measuring delta mu H as a function of the rate of ATP hydrolysis by the enzyme. Second, by measuring the overall 'efficiency' of the pump as a function of delta mu H. Third, by measuring the proton ejection rate by the pump as a function of its ATP hydrolysis rate.

Non-polynomial closed string field theory: loops and conformal maps

NASA Astrophysics Data System (ADS)

Hua, Long; Kaku, Michio

1990-11-01

Recently, we proposed the complete classical action for the non-polynomial closed string field theory, which succesfully reproduced all closed string tree amplitudes. (The action was simultaneously proposed by the Kyoto group). In this paper, we analyze the structure of the theory. We (a) compute the explicit conformal map for all g-loop, p-puncture diagrams, (b) compute all one-loop, two-puncture maps in terms of hyper-elliptic functions, and (c) analyze their modular structure. We analyze, but do not resolve, the question of modular invariance.

High-Throughput Ligand Discovery Reveals a Sitewise Gradient of Diversity in Broadly Evolved Hydrophilic Fibronectin Domains

PubMed Central

Woldring, Daniel R.; Holec, Patrick V.; Zhou, Hong; Hackel, Benjamin J.

2015-01-01

Discovering new binding function via a combinatorial library in small protein scaffolds requires balance between appropriate mutations to introduce favorable intermolecular interactions while maintaining intramolecular integrity. Sitewise constraints exist in a non-spatial gradient from diverse to conserved in evolved antibody repertoires; yet non-antibody scaffolds generally do not implement this strategy in combinatorial libraries. Despite the fact that biased amino acid distributions, typically elevated in tyrosine, serine, and glycine, have gained wider use in synthetic scaffolds, these distributions are still predominantly applied uniformly to diversified sites. While select sites in fibronectin domains and DARPins have shown benefit from sitewise designs, they have not been deeply evaluated. Inspired by this disparity between diversity distributions in natural libraries and synthetic scaffold libraries, we hypothesized that binders resulting from discovery and evolution would exhibit a non-spatial, sitewise gradient of amino acid diversity. To identify sitewise diversities consistent with efficient evolution in the context of a hydrophilic fibronectin domain, >105 binders to six targets were evolved and sequenced. Evolutionarily favorable amino acid distributions at 25 sites reveal Shannon entropies (range: 0.3–3.9; median: 2.1; standard deviation: 1.1) supporting the diversity gradient hypothesis. Sitewise constraints in evolved sequences are consistent with complementarity, stability, and consensus biases. Implementation of sitewise constrained diversity enables direct selection of nanomolar affinity binders validating an efficient strategy to balance inter- and intra-molecular interaction demands at each site. PMID:26383268

Clinical features and dysfunctions of iron metabolism in Parkinson disease patients with hyper echogenicity in substantia nigra: a cross-sectional study.

PubMed

Yu, Shu-Yang; Cao, Chen-Jie; Zuo, Li-Jun; Chen, Ze-Jie; Lian, Teng-Hong; Wang, Fang; Hu, Yang; Piao, Ying-Shan; Li, Li-Xia; Guo, Peng; Liu, Li; Yu, Qiu-Jin; Wang, Rui-Dan; Chan, Piu; Chen, Sheng-di; Wang, Xiao-Min; Zhang, Wei

2018-01-17

Transcranial ultrasound is a useful tool for providing the evidences for the early diagnosis and differential diagnosis of Parkinson disease (PD). However, the relationship between hyper echogenicity in substantia nigra (SN) and clinical symptoms of PD patients remains unknown, and the role of dysfunction of iron metabolism on the pathogenesis of SN hyper echogenicity is unclear. PD patients was detected by transcranial sonography and divided into with no hyper echogenicity (PDSN-) group and with hyper echogenicity (PDSN+) group. Motor symptoms (MS) and non-motor symptoms (NMS) were evaluated, and the levels of iron and related proteins in serum and cerebrospinal fluid (CSF) were detected for PD patients. Data comparison between the two groups and correlation analyses were performed. PDSN+ group was significantly older, and had significantly older age of onset, more advanced Hohen-Yahr stage, higher SCOPA-AUT score and lower MoCA score than PDSN- group (P < 0.05). Compared with PDSN- group, the levels of transferrin and light-ferritin in serum and iron level in CSF were significantly elevated (P < 0.05), but ferroportin level in CSF was significantly decreased in PDSN+ group (P < 0.05). PD patients with hyper echogenicity in SN are older, at more advanced disease stage, have severer motor symptoms, and non-motor symptoms of cognitive impairment and autonomic dysfunction. Hyper echogenicity of SN in PD patients is related to dysfunction of iron metabolism, involving increased iron transport from peripheral system to central nervous system, reduction of intracellular iron release and excessive iron deposition in brain.

Finite Volume Numerical Methods for Aeroheating Rate Calculations from Infrared Thermographic Data

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.

2006-01-01

The use of multi-dimensional finite volume heat conduction techniques for calculating aeroheating rates from measured global surface temperatures on hypersonic wind tunnel models was investigated. Both direct and inverse finite volume techniques were investigated and compared with the standard one-dimensional semi-infinite technique. Global transient surface temperatures were measured using an infrared thermographic technique on a 0.333-scale model of the Hyper-X forebody in the NASA Langley Research Center 20-Inch Mach 6 Air tunnel. In these tests the effectiveness of vortices generated via gas injection for initiating hypersonic transition on the Hyper-X forebody was investigated. An array of streamwise-orientated heating striations was generated and visualized downstream of the gas injection sites. In regions without significant spatial temperature gradients, one-dimensional techniques provided accurate aeroheating rates. In regions with sharp temperature gradients caused by striation patterns multi-dimensional heat transfer techniques were necessary to obtain more accurate heating rates. The use of the one-dimensional technique resulted in differences of 20% in the calculated heating rates compared to 2-D analysis because it did not account for lateral heat conduction in the model.

A systematic review of team-building interventions in non-acute healthcare settings.

PubMed

Miller, Christopher J; Kim, Bo; Silverman, Allie; Bauer, Mark S

2018-03-01

Healthcare is increasingly delivered in a team-based format emphasizing interdisciplinary coordination. While recent reviews have investigated team-building interventions primarily in acute healthcare settings (e.g. emergency or surgery departments), we aimed to systematically review the evidence base for team-building interventions in non-acute settings (e.g. primary care or rehabilitation clinics). We conducted a systematic review in PubMed and Embase to identify team-building interventions, and conducted follow-up literature searches to identify articles describing empirical studies of those interventions. This process identified 14 team-building interventions for non-acute healthcare settings, and 25 manuscripts describing empirical studies of these interventions. We evaluated outcomes in four domains: trainee evaluations, teamwork attitudes/knowledge, team functioning, and patient impact. Trainee evaluations for team-building interventions were generally positive, but only one study associated team-building with statistically significant improvement in teamwork attitudes/knowledge. Similarly mixed results emerged for team functioning and patient impact. The evidence base for healthcare team-building interventions in non-acute healthcare settings is much less developed than the parallel literature for short-term team function in acute care settings. Only one intervention we identified has been tested in multiple non-acute settings by distinct research teams. Positive findings regarding the utility of team-building interventions are tempered by a lack of control conditions, inconsistency in outcome measures, and high probability of bias. Considering these results alongside the well-recognized costs of poor healthcare teamwork suggests that additional research is sorely needed to develop the evidence base for team-building in non-acute settings.

Toxoplasmosis Presenting as Hyper Viscosity Syndrome due to Polyclonal Gammopathy.

PubMed

Puranik, Shaila C; Rathod, Kalpana B; Kudrimoti, Jyoti K

2014-03-01

We are presenting a rare case of toxoplasma lymphadenopathy with hyper viscosity syndrome due to polyclonal gammopathy. A 30 year old female presented with generalized lymphadenopathy. Lymph node biopsy findings suggestive of toxoplasmosis were confirmed on serology. Bone marrow aspiration showed 50 % plasma cells. On serum electrophoresis broad, diffuse band noted, indicative of polyclonal gammopathy. M band was absent. The patient was immunocompetent and presented with hyper viscosity syndrome masking the symptoms of underlying toxoplasmosis.

Generalized Constitutive-Based Theoretical and Empirical Models for Hot Working Behavior of Functionally Graded Steels

NASA Astrophysics Data System (ADS)

Vanini, Seyed Ali Sadough; Abolghasemzadeh, Mohammad; Assadi, Abbas

2013-07-01

Functionally graded steels with graded ferritic and austenitic regions including bainite and martensite intermediate layers produced by electroslag remelting have attracted much attention in recent years. In this article, an empirical model based on the Zener-Hollomon (Z-H) constitutive equation with generalized material constants is presented to investigate the effects of temperature and strain rate on the hot working behavior of functionally graded steels. Next, a theoretical model, generalized by strain compensation, is developed for the flow stress estimation of functionally graded steels under hot compression based on the phase mixture rule and boundary layer characteristics. The model is used for different strains and grading configurations. Specifically, the results for αβγMγ steels from empirical and theoretical models showed excellent agreement with those of experiments of other references within acceptable error.

Non-Archimedean reaction-ultradiffusion equations and complex hierarchic systems

NASA Astrophysics Data System (ADS)

Zúñiga-Galindo, W. A.

2018-06-01

We initiate the study of non-Archimedean reaction-ultradiffusion equations and their connections with models of complex hierarchic systems. From a mathematical perspective, the equations studied here are the p-adic counterpart of the integro-differential models for phase separation introduced by Bates and Chmaj. Our equations are also generalizations of the ultradiffusion equations on trees studied in the 1980s by Ogielski, Stein, Bachas, Huberman, among others, and also generalizations of the master equations of the Avetisov et al models, which describe certain complex hierarchic systems. From a physical perspective, our equations are gradient flows of non-Archimedean free energy functionals and their solutions describe the macroscopic density profile of a bistable material whose space of states has an ultrametric structure. Some of our results are p-adic analogs of some well-known results in the Archimedean setting, however, the mechanism of diffusion is completely different due to the fact that it occurs in an ultrametric space.

Water and vapor transfer in vadose zone of Gobi desert and riparian in the hyper arid environment of Ejina, China

NASA Astrophysics Data System (ADS)

Du, C.; Yu, J.; Sun, F.; Liu, X.

2015-12-01

To reveal how water and vapor transfer in vadose zone affect evapotranspiration in Gobi desert and riparian in hyper arid region is important for understanding eco-hydrological process. Field studies and numerical simulations were imported to evaluate the water and vapor movement processes under non isothermal and lower water content conditions. The soil profiles (12 layers) in Gobi desert and riparian sites of Ejina were installed with sensors to monitor soil moisture and temperature for 1 year. The meteorological conditions and water table were measured by micro weather stations and mini-Divers respectively in the two sites. Soil properties, including particles composition, moisture, bulk density, water retention curve, and saturated hydraulic conductivity of two site soil profiles, was measured. The observations showed that soil temperatures for the two sites displayed large diurnal and seasonal fluctuations. Temperature gradients with depth resulted in a downward in summer and upward in winter and became driving force for thermal vapor movement. Soil moistures in Gobi desert site were very low and varied slowly with time. While the soil moistures in riparian site were complicated due to root distribution but water potentials remained uniform with time. The hydrus-1D was employed to simulate evapotranspiration processes. The simulation results showed the significant difference of evaporation rate in the Gobi desert and riparian sites.

Nonempirical range-separated hybrid functionals for solids and molecules

DOE PAGES

Skone, Jonathan H.; Govoni, Marco; Galli, Giulia

2016-06-03

Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. Here we introduce a range-separated (RS) version of DDH functionals where short and long-range components are matched using system dependent, non-empirical parameters. We show that RS DDHs yield accurate electronic properties of inorganic and organic solids, including energy gaps and absolute ionization potentials. Moreover, we show thatmore » these functionals may be generalized to finite systems.« less

Ignimbrite textural properties as determinants of endolithic colonization patterns from hyper-arid Atacama Desert.

PubMed

Cámara, Beatriz; Suzuki, Shino; Nealson, Kenneth H; Wierzchos, Jacek; Ascaso, Carmen; Artieda, Octavio; de los Ríos, Asunción

2014-12-01

This study explores the photosynthetic microbial colonization of rhyolitic ignimbrites in Lomas de Tilocalar, a hyper-arid region of the Atacama Desert, Chile. Colonization appeared in the form of a green layer a few millimeters beneath the ignimbrite surface. Some ignimbrite rocks revealed two distinct micromorphological areas of identical mineralogical and chemical composition but different textural properties. According to texture, colonization patterns varied in terms of the extension and depth of colonization. The diversity of photosynthetic microorganisms was assessed by denaturing gradient gel electrophoresis (DGGE) of the 23S rRNA gene and by generating clone libraries of the 16S rRNA gene. We observed a low diversity of photosynthetic microorganisms colonizing the ignimbrite microhabitat. Most rRNA gene sequences recovered greatly resembled those of Chroococcidiopsis hypolith clones from arid deserts. These results point to highly restrictive conditions of the hyper-arid Atacama Desert conditioning the diversity of cyanobacteria, and suggest that microbial colonization and composition patterns might be determined by the microscale physico-chemical properties of the ignimbrite rocks. Copyright© by the Spanish Society for Microbiology and Institute for Catalan Studies.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

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

Mardirossian, Narbe; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2015-02-21

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 10{sup 10} choices carved out of a functional space of almost 10{sup 40} possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based onmore » a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-20

We present a meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional. The functional form is selected from more than 10 10 choices carved out of a functional space of almost 10 40 possibilities. This raw data comes from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filteredmore » based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Non-invasive Investigation of Human Hippocampal Rhythms Using Magnetoencephalography: A Review.

PubMed

Pu, Yi; Cheyne, Douglas O; Cornwell, Brian R; Johnson, Blake W

2018-01-01

Hippocampal rhythms are believed to support crucial cognitive processes including memory, navigation, and language. Due to the location of the hippocampus deep in the brain, studying hippocampal rhythms using non-invasive magnetoencephalography (MEG) recordings has generally been assumed to be methodologically challenging. However, with the advent of whole-head MEG systems in the 1990s and development of advanced source localization techniques, simulation and empirical studies have provided evidence that human hippocampal signals can be sensed by MEG and reliably reconstructed by source localization algorithms. This paper systematically reviews simulation studies and empirical evidence of the current capacities and limitations of MEG "deep source imaging" of the human hippocampus. Overall, these studies confirm that MEG provides a unique avenue to investigate human hippocampal rhythms in cognition, and can bridge the gap between animal studies and human hippocampal research, as well as elucidate the functional role and the behavioral correlates of human hippocampal oscillations.

Non-invasive Investigation of Human Hippocampal Rhythms Using Magnetoencephalography: A Review

PubMed Central

Pu, Yi; Cheyne, Douglas O.; Cornwell, Brian R.; Johnson, Blake W.

2018-01-01

Hippocampal rhythms are believed to support crucial cognitive processes including memory, navigation, and language. Due to the location of the hippocampus deep in the brain, studying hippocampal rhythms using non-invasive magnetoencephalography (MEG) recordings has generally been assumed to be methodologically challenging. However, with the advent of whole-head MEG systems in the 1990s and development of advanced source localization techniques, simulation and empirical studies have provided evidence that human hippocampal signals can be sensed by MEG and reliably reconstructed by source localization algorithms. This paper systematically reviews simulation studies and empirical evidence of the current capacities and limitations of MEG “deep source imaging” of the human hippocampus. Overall, these studies confirm that MEG provides a unique avenue to investigate human hippocampal rhythms in cognition, and can bridge the gap between animal studies and human hippocampal research, as well as elucidate the functional role and the behavioral correlates of human hippocampal oscillations. PMID:29755314

Changes in community structure of active protistan assemblages from the lower Pearl River to coastal Waters of the South China Sea.

PubMed

Li, Ran; Jiao, Nianzhi; Warren, Alan; Xu, Dapeng

2018-04-01

Protists make up an important component of aquatic ecosystems, playing crucial roles in biogeochemical processes on local and global scales. To reveal the changes of diversity and community structure of protists along the salinity gradients, community compositions of active protistan assemblages were characterized along a transect from the lower Pearl River estuary to the open waters of the South China Sea (SCS), using high-throughput sequencing of the hyper-variable V9 regions of 18S rRNA. This study showed that the alpha diversity of protists, both in the freshwater and in the coastal SCS stations was higher than that in the estuary. The protist community structure also changed along the salinity gradient. The relative sequence abundance of Stramenopiles was highest at stations with lower salinity and decreased with the increasing of salinity. By contrast, the contributions of Alveolata, Hacrobia and Rhizaria to the protistan communities generally increased with the increasing of salinity. The composition of the active protistan community was strongly correlated with salinity, indicating that salinity was the dominant factor among measured environmental parameters affecting protistan community composition and structure. Copyright © 2018 Elsevier GmbH. All rights reserved.

Are numbers grounded in a general magnitude processing system? A functional neuroimaging meta-analysis.

PubMed

Sokolowski, H Moriah; Fias, Wim; Bosah Ononye, Chuka; Ansari, Daniel

2017-10-01

It is currently debated whether numbers are processed using a number-specific system or a general magnitude processing system, also used for non-numerical magnitudes such as physical size, duration, or luminance. Activation likelihood estimation (ALE) was used to conduct the first quantitative meta-analysis of 93 empirical neuroimaging papers examining neural activation during numerical and non-numerical magnitude processing. Foci were compiled to generate probabilistic maps of activation for non-numerical magnitudes (e.g. physical size), symbolic numerical magnitudes (e.g. Arabic digits), and nonsymbolic numerical magnitudes (e.g. dot arrays). Conjunction analyses revealed overlapping activation for symbolic, nonsymbolic and non-numerical magnitudes in frontal and parietal lobes. Contrast analyses revealed specific activation in the left superior parietal lobule for symbolic numerical magnitudes. In contrast, small regions in the bilateral precuneus were specifically activated for nonsymbolic numerical magnitudes. No regions in the parietal lobes were activated for non-numerical magnitudes that were not also activated for numerical magnitudes. Therefore, numbers are processed using both a generalized magnitude system and format specific number regions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Linear variable narrow bandpass optical filters in the far infrared (Conference Presentation)

NASA Astrophysics Data System (ADS)

Rahmlow, Thomas D.

2017-06-01

We are currently developing linear variable filters (LVF) with very high wavelength gradients. In the visible, these filters have a wavelength gradient of 50 to 100 nm/mm. In the infrared, the wavelength gradient covers the range of 500 to 900 microns/mm. Filter designs include band pass, long pass and ulta-high performance anti-reflection coatings. The active area of the filters is on the order of 5 to 30 mm along the wavelength gradient and up to 30 mm in the orthogonal, constant wavelength direction. Variation in performance along the constant direction is less than 1%. Repeatable performance from filter to filter, absolute placement of the filter relative to a substrate fiducial and, high in-band transmission across the full spectral band is demonstrated. Applications include order sorting filters, direct replacement of the spectrometer and hyper-spectral imaging. Off-band rejection with an optical density of greater than 3 allows use of the filter as an order sorting filter. The linear variable order sorting filters replaces other filter types such as block filters. The disadvantage of block filters is the loss of pixels due to the transition between filter blocks. The LVF is a continuous gradient without a discrete transition between filter wavelength regions. If the LVF is designed as a narrow band pass filter, it can be used in place of a spectrometer thus reducing overall sensor weight and cost while improving the robustness of the sensor. By controlling the orthogonal performance (smile) the LVF can be sized to the dimensions of the detector. When imaging on to a 2 dimensional array and operating the sensor in a push broom configuration, the LVF spectrometer performs as a hyper-spectral imager. This paper presents performance of LVF fabricated in the far infrared on substrates sized to available detectors. The impact of spot size, F-number and filter characterization are presented. Results are also compared to extended visible LVF filters.

The intense world theory - a unifying theory of the neurobiology of autism.

PubMed

Markram, Kamila; Markram, Henry

2010-01-01

Autism covers a wide spectrum of disorders for which there are many views, hypotheses and theories. Here we propose a unifying theory of autism, the Intense World Theory. The proposed neuropathology is hyper-functioning of local neural microcircuits, best characterized by hyper-reactivity and hyper-plasticity. Such hyper-functional microcircuits are speculated to become autonomous and memory trapped leading to the core cognitive consequences of hyper-perception, hyper-attention, hyper-memory and hyper-emotionality. The theory is centered on the neocortex and the amygdala, but could potentially be applied to all brain regions. The severity on each axis depends on the severity of the molecular syndrome expressed in different brain regions, which could uniquely shape the repertoire of symptoms of an autistic child. The progression of the disorder is proposed to be driven by overly strong reactions to experiences that drive the brain to a hyper-preference and overly selective state, which becomes more extreme with each new experience and may be particularly accelerated by emotionally charged experiences and trauma. This may lead to obsessively detailed information processing of fragments of the world and an involuntarily and systematic decoupling of the autist from what becomes a painfully intense world. The autistic is proposed to become trapped in a limited, but highly secure internal world with minimal extremes and surprises. We present the key studies that support this theory of autism, show how this theory can better explain past findings, and how it could resolve apparently conflicting data and interpretations. The theory also makes further predictions from the molecular to the behavioral levels, provides a treatment strategy and presents its own falsifying hypothesis.

The Intense World Theory – A Unifying Theory of the Neurobiology of Autism

PubMed Central

Markram, Kamila; Markram, Henry

2010-01-01

Autism covers a wide spectrum of disorders for which there are many views, hypotheses and theories. Here we propose a unifying theory of autism, the Intense World Theory. The proposed neuropathology is hyper-functioning of local neural microcircuits, best characterized by hyper-reactivity and hyper-plasticity. Such hyper-functional microcircuits are speculated to become autonomous and memory trapped leading to the core cognitive consequences of hyper-perception, hyper-attention, hyper-memory and hyper-emotionality. The theory is centered on the neocortex and the amygdala, but could potentially be applied to all brain regions. The severity on each axis depends on the severity of the molecular syndrome expressed in different brain regions, which could uniquely shape the repertoire of symptoms of an autistic child. The progression of the disorder is proposed to be driven by overly strong reactions to experiences that drive the brain to a hyper-preference and overly selective state, which becomes more extreme with each new experience and may be particularly accelerated by emotionally charged experiences and trauma. This may lead to obsessively detailed information processing of fragments of the world and an involuntarily and systematic decoupling of the autist from what becomes a painfully intense world. The autistic is proposed to become trapped in a limited, but highly secure internal world with minimal extremes and surprises. We present the key studies that support this theory of autism, show how this theory can better explain past findings, and how it could resolve apparently conflicting data and interpretations. The theory also makes further predictions from the molecular to the behavioral levels, provides a treatment strategy and presents its own falsifying hypothesis. PMID:21191475

Hyper-spectral Atmospheric Sounding. Appendixes 1

NASA Technical Reports Server (NTRS)

Smith, W. L.; Zhou, D. K.; Revercomb, H. E.; Huang, H. L.; Antonelli, P.; Mango, S. A.

2002-01-01

The Geosynchronous Imaging Fourier Transform Spectrometer (GIFTS) is the first hyper-spectral remote sounding system to be orbited aboard a geosynchronous satellite. The GETS is designed to obtain revolutionary observations of the four dimensional atmospheric temperature, moisture, and wind structure as well as the distribution of the atmospheric trace gases, CO and O3. Although GIFTS will not be orbited until 2006-2008, a glimpse at the its measurement capabilities has been obtained by analyzing data from the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Airborne Sounder Test-bed-Interferometer (NAST-I) and Aqua satellite Atmospheric Infrared Sounder (AIRS). In this paper we review the GIFTS experiment and empirically assess measurement expectations based on meteorological profiles retrieved from the NAST aircraft and Aqua satellite AIRS spectral radiances.

(Hyper)thermophilic enzymes: production and purification.

PubMed

Falcicchio, Pierpaolo; Levisson, Mark; Kengen, Servé W M; Koutsopoulos, Sotirios

2014-01-01

The discovery of thermophilic and hyperthermophilic microorganisms, thriving at environmental temperatures near or above 100 °C, has revolutionized our ideas about the upper temperature limit at which life can exist. The characterization of (hyper)thermostable proteins has broadened our understanding and presented new opportunities for solving one of the most challenging problems in biophysics: how is structural stability and biological function maintained at high temperatures where "normal" proteins undergo dramatic structural changes? In our laboratory we have purified and studied many thermostable and hyperthermostable proteins in an attempt to determine the molecular basis of heat stability. Here, we present methods to express such proteins and enzymes in E. coli and provide a general protocol for overproduction and purification. The ability to produce enzymes that retain their stability and activity at elevated temperatures creates exciting opportunities for a wide range of biocatalytic applications.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-07

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

NASA Astrophysics Data System (ADS)

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-01

The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

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

An inverse hyper-spherical harmonics-based formulation for reconstructing 3D volumetric lung deformations

NASA Astrophysics Data System (ADS)

Santhanam, Anand P.; Min, Yugang; Mudur, Sudhir P.; Rastogi, Abhinav; Ruddy, Bari H.; Shah, Amish; Divo, Eduardo; Kassab, Alain; Rolland, Jannick P.; Kupelian, Patrick

2010-07-01

A method to estimate the deformation operator for the 3D volumetric lung dynamics of human subjects is described in this paper. For known values of air flow and volumetric displacement, the deformation operator and subsequently the elastic properties of the lung are estimated in terms of a Green's function. A Hyper-Spherical Harmonic (HSH) transformation is employed to compute the deformation operator. The hyper-spherical coordinate transformation method discussed in this paper facilitates accounting for the heterogeneity of the deformation operator using a finite number of frequency coefficients. Spirometry measurements are used to provide values for the airflow inside the lung. Using a 3D optical flow-based method, the 3D volumetric displacement of the left and right lungs, which represents the local anatomy and deformation of a human subject, was estimated from 4D-CT dataset. Results from an implementation of the method show the estimation of the deformation operator for the left and right lungs of a human subject with non-small cell lung cancer. Validation of the proposed method shows that we can estimate the Young's modulus of each voxel within a 2% error level.

Double-hybrid density-functional theory with meta-generalized-gradient approximations

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

Souvi, Sidi M. O., E-mail: sidi.souvi@irsn.fr; Sharkas, Kamal; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr

2014-02-28

We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional and test them on test sets of atomization energies and reaction barrier heights. The most accurate variant uses the uniform coordinate scaling of the density and of the kinetic energy density in the correlation functional, and improves over both standard Kohn-Sham TPSS and second-order Møller-Plesset calculations.

Disentangling the effects of climate variability and functional change on ecosystem carbon dynamics using semi-empirical modelling

NASA Astrophysics Data System (ADS)

Wu, J.; van der Linden, L.; Lasslop, G.; Carvalhais, N.; Pilegaard, K.; Beier, C.; Ibrom, A.

2012-04-01

The ecosystem carbon balance is affected by both external climatic forcing (e.g. solar radiation, air temperature and humidity) and internal dynamics in the ecosystem functional properties (e.g. canopy structure, leaf photosynthetic capacity and carbohydrate reserve). In order to understand to what extent and at which temporal scale, climatic variability and functional changes regulated the interannual variation (IAV) in the net ecosystem exchange of CO2 (NEE), data-driven analysis and semi-empirical modelling (Lasslop et al. 2010) were performed based on a 13 year NEE record in a temperate deciduous forest (Pilegaard et al 2011, Wu et al. 2012). We found that the sensitivity of carbon fluxes to climatic variability was significantly higher at shorter than at longer time scales and changed seasonally. This implied that the changing distribution of climate anomalies during the vegetation period could have stronger impacts on future ecosystem carbon balances than changes in average climate. At the annual time scale, approximately 80% of the interannual variability in NEE was attributed to the variation in the model parameters, indicating the observed IAV in the carbon dynamics at the investigated site was dominated by changes in ecosystem functioning. In general this study showed the need for understanding the mechanisms of ecosystem functional change. The method can be applied at other sites to explore ecosystem behavior across different plant functional types and climate gradients. Incorporating ecosystem functional change into process based models will reduce the uncertainties in long-term predictions of ecosystem carbon balances in global climate change projections. Acknowledgements. This work was supported by the EU FP7 project CARBO-Extreme, the DTU Climate Centre and the Danish national project ECOCLIM (Danish Council for Strategic Research).

CRISM Multispectral and Hyperspectral Mapping Data - A Global Data Set for Hydrated Mineral Mapping

NASA Astrophysics Data System (ADS)

Seelos, F. P.; Hash, C. D.; Murchie, S. L.; Lim, H.

2017-12-01

The Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) is a visible through short-wave infrared hyperspectral imaging spectrometer (VNIR S-detector: 364-1055 nm; IR L-detector: 1001-3936 nm; 6.55 nm sampling) that has been in operation on the Mars Reconnaissance Orbiter (MRO) since 2006. Over the course of the MRO mission, CRISM has acquired 290,000 individual mapping observation segments (mapping strips) with a variety of observing modes and data characteristics (VNIR/IR; 100/200 m/pxl; multi-/hyper-spectral band selection) over a wide range of observing conditions (atmospheric state, observation geometry, instrument state). CRISM mapping data coverage density varies primarily with latitude and secondarily due to seasonal and operational considerations. The aggregate global IR mapping data coverage currently stands at 85% ( 80% at the equator with 40% repeat sampling), which is sufficient spatial sampling density to support the assembly of empirically optimized radiometrically consistent mapping mosaic products. The CRISM project has defined a number of mapping mosaic data products (e.g. Multispectral Reduced Data Record (MRDR) map tiles) with varying degrees of observation-specific processing and correction applied prior to mosaic assembly. A commonality among the mosaic products is the presence of inter-observation radiometric discrepancies which are traceable to variable observation circumstances or associated atmospheric/photometric correction residuals. The empirical approach to radiometric reconciliation leverages inter-observation spatial overlaps and proximal relationships to construct a graph that encodes the mosaic structure and radiometric discrepancies. The graph theory abstraction allows the underling structure of the msaic to be evaluated and the corresponding optimization problem configured so it is well-posed. Linear and non-linear least squares optimization is then employed to derive a set of observation- and wavelength- specific model parameters for a series of transform functions that minimize the total radiometric discrepancy across the mosaic. This empirical approach to CRISM data radiometric reconciliation and the utility of the resulting mapping data mosaic products for hydrated mineral mapping will be presented.

Vibrational and thermodynamic properties of β-HMX: a first-principles investigation.

PubMed

Wu, Zhongqing; Kalia, Rajiv K; Nakano, Aiichiro; Vashishta, Priya

2011-05-28

Thermodynamic properties of β-HMX crystal are investigated using the quasi-harmonic approximation and density functional theory within the local density approximation (LDA), generalized gradient approximation (GGA), and GGA + empirical van der Waals (vdW) correction. It is found that GGA well describes the thermal expansion coefficient and heat capacity but fails to produce correct bulk modulus and equilibrium volume. The vdW correction improves the bulk modulus and volume, but worsens the thermal expansion coefficient and heat capacity. In contrast, LDA describes all thermodynamic properties with reasonable accuracy, and overall is a good exchange-correlation functional for β-HMX molecular crystal. The results also demonstrate significant contributions of phonons to the equation of state. The static calculation of equilibrium volume for β-HMX differs from the room-temperature value incorporating lattice vibrations by over 5%. Therefore, for molecular crystals, it is essential to include phonon contributions when calculated equation of state is compared with experimental data at ambient condition. © 2011 American Institute of Physics

The osteopontin-controlled switching of calcium oxalate monohydrate morphologies in artificial urine provides insights into the formation of papillary kidney stones.

PubMed

Langdon, Aaron; Grohe, Bernd

2016-10-01

The protein osteopontin (OPN) plays an important role in preventing the formation of calcium oxalate monohydrate (COM) kidney stones. To gain insight into these mechanisms, crystallization was induced by addition of human kidney OPN to artificial urine (ionic strength comparable to urine; without citrate), and the OPN-COM interaction studied using a combination of scanning electron (SEM) and confocal microscopy. By SEM, we found that increasing OPN concentrations formed large monoclinic penetration twins (no protein added) and, at higher concentrations (1-, 2μg/ml OPN), super and hyper twins with crystal habits not found in previous studies. For instance, the hyper twins indicate well-facetted gearwheel-like habits with "teeth" developed in all crystallographic directions. At OPN concentrations ≥2μg/ml, a switching to small dumbbell-shaped COM habits with fine-textured surfaces occurred. Confocal microscopy of these dumbbells indicates protein incorporation in almost the entire crystal structure (in contrast to facetted COM), proposing a threshold concentration of ∼2μg/ml OPN for the facetted to the non-facetted habit transformation. Both the gearwheel-like and the dumbbell-shaped habit are again found side-by-side (presumably triggered by OPN concentration gradients within the sample) in in-vitro formed conglomerates, which resemble cross-sections of papillary kidney stones. The abrupt transformation from facetted to non-facetted habits and the unique compliance of the two in-vitro formed habits with the two main morphologies found in papillary kidney stones propose that OPN is a main effector in direct stone-forming processes. Moreover, stone structures which exhibit these two morphologies side-by-side might serve as a novel indicator for OPN concentrations surrounding those structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Inferring multi-scale neural mechanisms with brain network modelling

PubMed Central

Schirner, Michael; McIntosh, Anthony Randal; Jirsa, Viktor; Deco, Gustavo

2018-01-01

The neurophysiological processes underlying non-invasive brain activity measurements are incompletely understood. Here, we developed a connectome-based brain network model that integrates individual structural and functional data with neural population dynamics to support multi-scale neurophysiological inference. Simulated populations were linked by structural connectivity and, as a novelty, driven by electroencephalography (EEG) source activity. Simulations not only predicted subjects' individual resting-state functional magnetic resonance imaging (fMRI) time series and spatial network topologies over 20 minutes of activity, but more importantly, they also revealed precise neurophysiological mechanisms that underlie and link six empirical observations from different scales and modalities: (1) resting-state fMRI oscillations, (2) functional connectivity networks, (3) excitation-inhibition balance, (4, 5) inverse relationships between α-rhythms, spike-firing and fMRI on short and long time scales, and (6) fMRI power-law scaling. These findings underscore the potential of this new modelling framework for general inference and integration of neurophysiological knowledge to complement empirical studies. PMID:29308767

First Principle Predictions of Isotopic Shifts in H2O

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Kwak, Dochan (Technical Monitor)

2002-01-01

We compute isotope independent first and second order corrections to the Born-Oppenheimer approximation for water and use them to predict isotopic shifts. For the diagonal correction, we use icMRCI wavefunctions and derivatives with respect to mass dependent, internal coordinates to generate the mass independent correction functions. For the non-adiabatic correction, we use scaled SCF/CIS wave functions and a generalization of the Handy method to obtain mass independent correction functions. We find that including the non-adiabatic correction gives significantly improved results compared to just including the diagonal correction when the Born-Oppenheimer potential energy surface is optimized for H2O-16. The agreement with experimental results for deuterium and tritium containing isotopes is nearly as good as our best empirical correction, however, the present correction is expected to be more reliable for higher, uncharacterized levels.

General, crystallized and fluid intelligence are not associated with functional global network efficiency: A replication study with the human connectome project 1200 data set.

PubMed

Kruschwitz, J D; Waller, L; Daedelow, L S; Walter, H; Veer, I M

2018-05-01

One hallmark example of a link between global topological network properties of complex functional brain connectivity and cognitive performance is the finding that general intelligence may depend on the efficiency of the brain's intrinsic functional network architecture. However, although this association has been featured prominently over the course of the last decade, the empirical basis for this broad association of general intelligence and global functional network efficiency is quite limited. In the current study, we set out to replicate the previously reported association between general intelligence and global functional network efficiency using the large sample size and high quality data of the Human Connectome Project, and extended the original study by testing for separate association of crystallized and fluid intelligence with global efficiency, characteristic path length, and global clustering coefficient. We were unable to provide evidence for the proposed association between general intelligence and functional brain network efficiency, as was demonstrated by van den Heuvel et al. (2009), or for any other association with the global network measures employed. More specifically, across multiple network definition schemes, ranging from voxel-level networks to networks of only 100 nodes, no robust associations and only very weak non-significant effects with a maximal R 2 of 0.01 could be observed. Notably, the strongest (non-significant) effects were observed in voxel-level networks. We discuss the possibility that the low power of previous studies and publication bias may have led to false positive results fostering the widely accepted notion of general intelligence being associated to functional global network efficiency. Copyright © 2018 Elsevier Inc. All rights reserved.

A hyper-thermostable α-amylase from Pyrococcus furiosus accumulates in Nicotiana tabacum as functional aggregates.

PubMed

Zhu, Hong; Reynolds, L Bruce; Menassa, Rima

2017-06-19

Alpha amylase hydrolyzes α-bonds of polysaccharides such as starch and produces malto-oligosaccharides. Its starch saccharification applications make it an essential enzyme in the textile, food and brewing industries. Commercially available α-amylase is mostly produced from Bacillus or Aspergillus. A hyper-thermostable and Ca 2++ independent α-amylase from Pyrococcus furiosus (PFA) expressed in E.coli forms insoluble inclusion bodies and thus is not feasible for industrial applications. We expressed PFA in Nicotiana tabacum and found that plant-produced PFA forms functional aggregates with an accumulation level up to 3.4 g/kg FW (fresh weight) in field conditions. The aggregates are functional without requiring refolding and therefore have potential to be applied as homogenized plant tissue without extraction or purification. PFA can also be extracted from plant tissue upon dissolution in a mild reducing buffer containing SDS. Like the enzyme produced in P. furiosus and in E. coli, plant produced PFA preserves hyper-thermophilicity and hyper-thermostability and has a long shelf life when stored in lyophilized leaf tissue. With tobacco's large biomass and high yield, hyper-thermostable α-amylase was produced at a scale of 42 kg per hectare. Tobacco may be a suitable bioreactor for industrial production of active hyperthermostable alpha amylase.

Tunable non-interacting free-energy functionals: development and applications to low-density aluminum

NASA Astrophysics Data System (ADS)

Trickey, Samuel; Karasiev, Valentin

We introduce the concept of tunable orbital-free non-interacting free-energy density functionals and present a generalized gradient approximation (GGA) with a subset of parameters defined from constraints and a few free parameters. Those free parameters are tuned to reproduce reference Kohn-Sham (KS) static-lattice pressures for Al at T=8 kK for bulk densities between 0.6 and 2 g/cm3. The tuned functional then is used in OF molecular dynamics (MD) simulations for Al with densities between 0.1 and 2 g/cm3 and T between 6 and 50 kK to calculate the equation of state and generate configurations for electrical conductivity calculations. The tunable functional produces accurate results. Computationally it is very effective especially at elevated temperature. Kohn-Shiam calculations for such low densities are affordable only up to T=10 kK, while other OF approximations, including two-point functionals, fail badly in that regime. Work supported by US DoE Grant DE-SC0002139.

Linear and Non-Linear Dielectric Response of Periodic Systems from Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Umari, Paolo

2006-03-01

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wavefunction, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence. The polarization is sampled through forward-walking. This approach has been validated for the case of the polarizability of an isolated hydrogen atom, and then applied to a periodic system. We then calculate the linear susceptibility and second-order hyper-susceptibility of molecular-hydrogen chains whith different bond-length alternations, and assess the quality of nodal surfaces derived from density-functional theory or from Hartree-Fock. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.P. Umari, A.J. Williamson, G. Galli, and N. MarzariPhys. Rev. Lett. 95, 207602 (2005).

Kinetic theory of two-temperature polyatomic plasmas

NASA Astrophysics Data System (ADS)

Orlac'h, Jean-Maxime; Giovangigli, Vincent; Novikova, Tatiana; Roca i Cabarrocas, Pere

2018-03-01

We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal non-equilibrium between electrons and heavy species is allowed. The kinetic non-equilibrium framework also requires a weak coupling between electrons and internal energy modes of heavy species. The zeroth-order and first-order fluid equations are derived by using a generalized Chapman-Enskog method. Expressions for transport fluxes are obtained in terms of macroscopic variable gradients and the corresponding transport coefficients are expressed as bracket products of species perturbed distribution functions. The theory derived in this paper provides a consistent fluid model for non-thermal multicomponent plasmas.

Development and pilot validation of a sensory reactivity scale for adults with high functioning autism spectrum conditions: Sensory Reactivity in Autism Spectrum (SR-AS).

PubMed

Elwin, Marie; Schröder, Agneta; Ek, Lena; Kjellin, Lars

2016-01-01

Unusual reactions to sensory stimuli are experienced by 90-95% of people with an autism spectrum condition (ASC). Self-reported sensory reactivity in ASC has mainly been measured with generic questionnaires developed and validated on data from the general population. Interest in sensory reactivity in ASC increased after the inclusion of hyper- and hypo-reactivity together with unusual sensory interest as diagnostic markers of ASC in the DSM-5. To develop and pilot validate a self-report questionnaire designed from first-hand descriptions of the target group of adults diagnosed with high functioning ASC. Psychometric properties of the questionnaire were evaluated on a sample of participants with ASC diagnoses (N = 71) and a random sample from the general population (N = 162). The Sensory Reactivity in Autism Spectrum (SR-AS is intended to be used as a screening tool in diagnostic processes with adults and for support in adapting compensating strategies and environmental adjustments. The internal consistency was high for both the SR-AS and its subscales. The total scale Cronbach's alpha was 0.96 and the subscales alphas were ≥ 0.80. Confirmatory factor analysis (CFA) showed best fit for a four-factor model of inter-correlated factors: hyper and hypo-reactivity, strong sensory interest and a sensory/motor factor. The questionnaire discriminated well between ASC-diagnosed participants and participants from the general population. The SR-AS displayed good internal consistency and discriminatory power and promising factorial validity.

Social cognition in schizophrenia: factor structure, clinical and functional correlates.

PubMed

Buck, Benjamin E; Healey, Kristin M; Gagen, Emily C; Roberts, David L; Penn, David L

2016-08-01

Social cognition is consistently impaired in people with schizophrenia, separable from general neurocognition, predictive of real-world functioning and amenable to psychosocial treatment. Few studies have empirically examined its underlying factor structure. This study (1) examines the factor structure of social cognition in both a sample of individuals with schizophrenia-spectrum disorders and non-clinical controls and (2) explores relationships of factors to neurocognition, symptoms and functioning. A factor analysis was conducted on social cognition measures in a sample of 65 individuals with schizophrenia or schizoaffective disorder, and 50 control participants. The resulting factors were examined for their relationships to symptoms and functioning. Results suggested a two-factor structure in the schizophrenia sample (social cognition skill and hostile attributional style) and a three-factor structure in the non-clinical sample (hostile attributional style, higher-level inferential processing and lower-level cue detection). In the schizophrenia sample, the social cognition skill factor was significantly related to negative symptoms and social functioning, whereas hostile attributional style predicted positive and general psychopathology symptoms. The factor structure of social cognition in schizophrenia separates hostile attributional style and social cognition skill, and each show differential relationships to relevant clinical variables in schizophrenia.

Combining Biomarkers Linearly and Nonlinearly for Classification Using the Area Under the ROC Curve

PubMed Central

Fong, Youyi; Yin, Shuxin; Huang, Ying

2016-01-01

In biomedical studies, it is often of interest to classify/predict a subject’s disease status based on a variety of biomarker measurements. A commonly used classification criterion is based on AUC - Area under the Receiver Operating Characteristic Curve. Many methods have been proposed to optimize approximated empirical AUC criteria, but there are two limitations to the existing methods. First, most methods are only designed to find the best linear combination of biomarkers, which may not perform well when there is strong nonlinearity in the data. Second, many existing linear combination methods use gradient-based algorithms to find the best marker combination, which often result in sub-optimal local solutions. In this paper, we address these two problems by proposing a new kernel-based AUC optimization method called Ramp AUC (RAUC). This method approximates the empirical AUC loss function with a ramp function, and finds the best combination by a difference of convex functions algorithm. We show that as a linear combination method, RAUC leads to a consistent and asymptotically normal estimator of the linear marker combination when the data is generated from a semiparametric generalized linear model, just as the Smoothed AUC method (SAUC). Through simulation studies and real data examples, we demonstrate that RAUC out-performs SAUC in finding the best linear marker combinations, and can successfully capture nonlinear pattern in the data to achieve better classification performance. We illustrate our method with a dataset from a recent HIV vaccine trial. PMID:27058981

Meta-analysis of PECS with individuals with ASD: investigation of targeted versus non-targeted outcomes, participant characteristics, and implementation phase.

PubMed

Ganz, Jennifer B; Davis, John L; Lund, Emily M; Goodwyn, Fara D; Simpson, Richard L

2012-01-01

The Picture Exchange Communication System (PECS) is a widely used picture/icon aided augmentative communication system designed for learners with autism and other developmental disorders. This meta-analysis analyzes the extant empirical literature for PECS relative to targeted (functional communication) and non-targeted concomitant outcomes (behavior, social skills, and speech) for learners with autism, learners with autism and intellectual disabilities and those with autism and multiple disabilities. Effect size analyses were done using the Improvement Rate Difference method, an advanced metric. Effect sizes were independently analyzed for targeted and non-targeted outcomes, student age, learner disability, and number of phases in the PECS protocol acquired by learners. Results supported the judgment that PECS is a promising intervention method. Analysis also revealed that functional communication outcomes associated with the PECS protocol were most impacted, that preschool children and those with autism generally showed the strongest training effects, and that in general students who advanced through the most PECS protocol phases had the best outcomes. Copyright © 2011 Elsevier Ltd. All rights reserved.

Stochastic Formalism for Thermally Driven Distribution Frontier: A Nonempirical Approach to the Potential Escape Problem

NASA Astrophysics Data System (ADS)

Akashi, Ryosuke; Nagornov, Yuri S.

2018-06-01

We develop a non-empirical scheme to search for the minimum-energy escape paths from the minima of the potential surface to unknown saddle points nearby. A stochastic algorithm is constructed to move the walkers up the surface through the potential valleys. This method employs only the local gradient and diagonal part of the Hessian matrix of the potential. An application to a two-dimensional model potential is presented to demonstrate the successful finding of the paths to the saddle points. The present scheme could serve as a starting point toward first-principles simulation of rare events across the potential basins free from empirical collective variables.

Hyper-X Program Status

NASA Technical Reports Server (NTRS)

McClinton, Charles R.; Rausch, Vincent L.; Sitz, Joel; Reukauf, Paul

2001-01-01

This paper provides an overview of the objectives and status of the Hyper-X program, which is tailored to move hypersonic, airbreathing vehicle technology from the laboratory environment to the flight environment. The first Hyper-X research vehicle (HXRV), designated X-43, is being prepared at the Dryden Flight Research Center for flight at Mach 7. Extensive risk reduction activities for the first flight are completed, and non-recurring design activities for the Mach 10 X-43 (3rd flight) are nearing completion. The Mach 7 flight of the X-43, in the spring of 2001, will be the first flight of an airframe-integrated scramjet-powered vehicle. The Hyper-X program is continuing to plan follow-on activities to focus an orderly continuation of hypersonic technology development through flight research.

Hyper-X Program Status

NASA Technical Reports Server (NTRS)

McClinton, Charles R.; Reubush, David E.; Sitz, Joel; Reukauf, Paul

2001-01-01

This paper provides an overview of the objectives and status of the Hyper-X program, which is tailored to move hypersonic, airbreathing vehicle technology from the laboratory environment to the flight environment. The first Hyper-X research vehicle (HXRV), designated X-43, is being prepared at the Dryden Flight Research Center for flight at Mach 7. Extensive risk reduction activities for the first flight are completed, and non-recurring design activities for the Mach 10 X-43 (third flight) are nearing completion. The Mach 7 flight of the X-43, in the spring of 2001, will be the first flight of an airframe-integrated scramjet-powered vehicle. The Hyper-X program is continuing to plan follow-on activities to focus an orderly continuation of hypersonic technology development through flight research.

Non-Local Diffusion of Energetic Electrons during Solar Flares

NASA Astrophysics Data System (ADS)

Bian, N. H.; Emslie, G.; Kontar, E.

2017-12-01

The transport of the energy contained in suprathermal electrons in solar flares plays a key role in our understanding of many aspects of flare physics, from the spatial distributions of hard X-ray emission and energy deposition in the ambient atmosphere to global energetics. Historically the transport of these particles has been largely treated through a deterministic approach, in which first-order secular energy loss to electrons in the ambient target is treated as the dominant effect, with second-order diffusive terms (in both energy and angle) generally being either treated as a small correction or even neglected. Here, we critically analyze this approach, and we show that spatial diffusion through pitch-angle scattering necessarily plays a very significant role in the transport of electrons. We further show that a satisfactory treatment of the diffusion process requires consideration of non-local effects, so that the electron flux depends not just on the local gradient of the electron distribution function but on the value of this gradient within an extended region encompassing a significant fraction of a mean free path. Our analysis applies generally to pitch-angle scattering by a variety of mechanisms, from Coulomb collisions to turbulent scattering. We further show that the spatial transport of electrons along the magnetic field of a flaring loop can be modeled as a Continuous Time Random Walk with velocity-dependent probability distribution functions of jump sizes and occurrences, both of which can be expressed in terms of the scattering mean free path.

Differential responses of targeted lung redox enzymes to rat exposure to 60 or 85% oxygen

PubMed Central

Gan, Zhuohui; Roerig, David L.; Clough, Anne V.

2011-01-01

Rat exposure to 60% O2 (hyper-60) or 85% O2 (hyper-85) for 7 days confers susceptibility or tolerance, respectively, of the otherwise lethal effects of exposure to 100% O2. The objective of this study was to determine whether activities of the antioxidant cytosolic enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1) and mitochondrial complex III are differentially altered in hyper-60 and hyper-85 lungs. Duroquinone (DQ), an NQO1 substrate, or its hydroquinone (DQH2), a complex III substrate, was infused into the arterial inflow of isolated, perfused lungs, and the venous efflux rates of DQH2 and DQ were measured. Based on inhibitor effects and kinetic modeling, capacities of NQO1-mediated DQ reduction (Vmax1) and complex III-mediated DQH2 oxidation (Vmax2) increased by ∼140 and ∼180% in hyper-85 lungs, respectively, compared with rates in lungs of rats exposed to room air (normoxic). In hyper-60 lungs, Vmax1 increased by ∼80%, with no effect on Vmax2. Additional studies revealed that mitochondrial complex I activity in hyper-60 and hyper-85 lung tissue homogenates was ∼50% lower than in normoxic lung homogenates, whereas mitochondrial complex IV activity was ∼90% higher in only hyper-85 lung tissue homogenates. Thus NQO1 activity increased in both hyper-60 and hyper-85 lungs, whereas complex III activity increased in hyper-85 lungs only. This increase, along with the increase in complex IV activity, may counter the effects the depression in complex I activity might have on tissue mitochondrial function and/or reactive oxygen species production and may be important to the tolerance of 100% O2 observed in hyper-85 rats. PMID:21551015

Differential responses of targeted lung redox enzymes to rat exposure to 60 or 85% oxygen.

PubMed

Gan, Zhuohui; Roerig, David L; Clough, Anne V; Audi, Said H

2011-07-01

Rat exposure to 60% O(2) (hyper-60) or 85% O(2) (hyper-85) for 7 days confers susceptibility or tolerance, respectively, of the otherwise lethal effects of exposure to 100% O(2). The objective of this study was to determine whether activities of the antioxidant cytosolic enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1) and mitochondrial complex III are differentially altered in hyper-60 and hyper-85 lungs. Duroquinone (DQ), an NQO1 substrate, or its hydroquinone (DQH(2)), a complex III substrate, was infused into the arterial inflow of isolated, perfused lungs, and the venous efflux rates of DQH(2) and DQ were measured. Based on inhibitor effects and kinetic modeling, capacities of NQO1-mediated DQ reduction (V(max1)) and complex III-mediated DQH(2) oxidation (V(max2)) increased by ∼140 and ∼180% in hyper-85 lungs, respectively, compared with rates in lungs of rats exposed to room air (normoxic). In hyper-60 lungs, V(max1) increased by ∼80%, with no effect on V(max2). Additional studies revealed that mitochondrial complex I activity in hyper-60 and hyper-85 lung tissue homogenates was ∼50% lower than in normoxic lung homogenates, whereas mitochondrial complex IV activity was ∼90% higher in only hyper-85 lung tissue homogenates. Thus NQO1 activity increased in both hyper-60 and hyper-85 lungs, whereas complex III activity increased in hyper-85 lungs only. This increase, along with the increase in complex IV activity, may counter the effects the depression in complex I activity might have on tissue mitochondrial function and/or reactive oxygen species production and may be important to the tolerance of 100% O(2) observed in hyper-85 rats.

An improved silver staining procedure for schizodeme analysis in polyacrylamide gradient gels.

PubMed

Gonçalves, A M; Nehme, N S; Morel, C M

1990-01-01

A simple protocol is described for the silver staining of polyacrylamide gradient gels used for the separation of restriction fragments of kinetoplast DNA [schizodeme analysis of trypanosomatids (Morel et al., 1980)]. The method overcomes the problems of non-uniform staining and strong background color which are frequently encountered when conventional protocols for silver staining of linear gels are applied to gradient gels. The method described has proven to be of general applicability for DNA, RNA and protein separations in gradient gels.

Course 4: Density Functional Theory, Methods, Techniques, and Applications

NASA Astrophysics Data System (ADS)

Chrétien, S.; Salahub, D. R.

Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions

Socioeconomic status and children's health: evidence from a low-income country.

PubMed

Sepehri, Ardeshir; Guliani, Harminder

2015-04-01

There has been a growing empirical literature on the relationship between household socioeconomic status (SES) and children's health, and in particular, whether this SES gradient is constant or varies in strength across different life stages. Much of this literature focuses on the developed countries and less evidence has been presented for developing countries. Using Vietnam's rich National Health Survey (2001-02) and appropriate multilevel modeling this study empirically assesses the SES gradient in health and whether it varies in strength across different life stages of children aged 15 and younger (N = 45,448). The results for the interaction terms between the natural logarithm of household consumption and age groups indicate no evidence of a steeper health gradient for older children. However, health-consumption gradients are found to be sensitive to the functional form of the regression model as well as the model specification. The results for the interaction terms between consumption expenditure quintiles and age groups indicate that gradients vary in strength across ages. Not only are children from the poorest households worse off, compared to those from the richest households, but this relative disadvantage is greater among the 0-3 year olds. The inclusion of parental health status in the regression model weakens the gradients for all age groups as does the inclusion of household sources of drinking water. However, poorer children are still relatively worse off, specially the 0-3 year olds. This suggests that absolute deprivation may help explain the relative health disadvantage of younger children. Better measures of poverty alleviation are hence needed to improve children's health in a low-income country such as Vietnam. Copyright © 2015 Elsevier Ltd. All rights reserved.

Integrative Analysis Reveals Relationships of Genetic and Epigenetic Alterations in Osteosarcoma

PubMed Central

Skårn, Magne; Namløs, Heidi M.; Barragan-Polania, Ana H.; Cleton-Jansen, Anne-Marie; Serra, Massimo; Liestøl, Knut; Hogendoorn, Pancras C. W.; Hovig, Eivind; Myklebost, Ola; Meza-Zepeda, Leonardo A.

2012-01-01

Background Osteosarcomas are the most common non-haematological primary malignant tumours of bone, and all conventional osteosarcomas are high-grade tumours showing complex genomic aberrations. We have integrated genome-wide genetic and epigenetic profiles from the EuroBoNeT panel of 19 human osteosarcoma cell lines based on microarray technologies. Principal Findings The cell lines showed complex patterns of DNA copy number changes, where genomic copy number gains were significantly associated with gene-rich regions and losses with gene-poor regions. By integrating the datasets, 350 genes were identified as having two types of aberrations (gain/over-expression, hypo-methylation/over-expression, loss/under-expression or hyper-methylation/under-expression) using a recurrence threshold of 6/19 (>30%) cell lines. The genes showed in general alterations in either DNA copy number or DNA methylation, both within individual samples and across the sample panel. These 350 genes are involved in embryonic skeletal system development and morphogenesis, as well as remodelling of extracellular matrix. The aberrations of three selected genes, CXCL5, DLX5 and RUNX2, were validated in five cell lines and five tumour samples using PCR techniques. Several genes were hyper-methylated and under-expressed compared to normal osteoblasts, and expression could be reactivated by demethylation using 5-Aza-2′-deoxycytidine treatment for four genes tested; AKAP12, CXCL5, EFEMP1 and IL11RA. Globally, there was as expected a significant positive association between gain and over-expression, loss and under-expression as well as hyper-methylation and under-expression, but gain was also associated with hyper-methylation and under-expression, suggesting that hyper-methylation may oppose the effects of increased copy number for detrimental genes. Conclusions Integrative analysis of genome-wide genetic and epigenetic alterations identified dependencies and relationships between DNA copy number, DNA methylation and mRNA expression in osteosarcomas, contributing to better understanding of osteosarcoma biology. PMID:23144859

Design and fabrication of a 900-1700 nm hyper-spectral imaging spectrometer

NASA Astrophysics Data System (ADS)

Kim, Tae Hyoung; Kong, Hong Jin; Kim, Tae Hoon; Shin, Jae Sung

2010-02-01

This paper presents a 900-1700 nm hyper-spectral imaging spectrometer which offers low distortions, a low F-number, a compact size, an easily-fabricated design and a low cost (is presented in this paper). The starting point for its optical design is discussed according to the geometrical aberration theory and Rowland circle condition. It is shown that these methods are useful in designing a push-broom hyper-spectral imaging spectrometer that has an aperture of f/2.4, modulation transfer functions of less than 0.8 at 25 cycles/mm, and spot sizes less than 10 μm. A prototype of the optimized hyper-spectral imaging spectrometer has been fabricated using a high precision machine and the experimental demonstration with the fabricated hyper-spectral imaging spectrometer is presented.

A sharp interpolation between the Hölder and Gaussian Young inequalities

NASA Astrophysics Data System (ADS)

da Pelo, Paolo; Lanconelli, Alberto; Stan, Aurel I.

2016-03-01

We prove a very general sharp inequality of the Hölder-Young-type for functions defined on infinite dimensional Gaussian spaces. We begin by considering a family of commutative products for functions which interpolates between the pointwise and Wick products; this family arises naturally in the context of stochastic differential equations, through Wong-Zakai-type approximation theorems, and plays a key role in some generalizations of the Beckner-type Poincaré inequality. We then obtain a crucial integral representation for that family of products which is employed, together with a generalization of the classic Young inequality due to Lieb, to prove our main theorem. We stress that our main inequality contains as particular cases the Hölder inequality and Nelson’s hyper-contractive estimate, thus providing a unified framework for two fundamental results of the Gaussian analysis.

A study of accurate exchange-correlation functionals through adiabatic connection

NASA Astrophysics Data System (ADS)

Singh, Rabeet; Harbola, Manoj K.

2017-10-01

A systematic way of improving exchange-correlation energy functionals of density functional theory has been to make them satisfy more and more exact relations. Starting from the initial generalized gradient approximation (GGA) functionals, this has culminated into the recently proposed SCAN (strongly constrained and appropriately normed) functional that satisfies several known constraints and is appropriately normed. The ultimate test for the functionals developed is the accuracy of energy calculated by employing them. In this paper, we test these exchange-correlation functionals—the GGA hybrid functionals B3LYP and PBE0 and the meta-GGA functional SCAN—from a different perspective. We study how accurately these functionals reproduce the exchange-correlation energy when electron-electron interaction is scaled as αVee with α varying between 0 and 1. Our study reveals interesting comparison between these functionals and the associated difference Tc between the interacting and the non-interacting kinetic energy for the same density.

The detailed balance requirement and general empirical formalisms for continuum absorption

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.

1994-01-01

Two general empirical formalisms are presented for the spectral density which take into account the deviations from the Lorentz line shape in the wing regions of resonance lines. These formalisms satisfy the detailed balance requirement. Empirical line shape functions, which are essential to provide the continuum absorption at different temperatures in various frequency regions for atmospheric transmission codes, can be obtained by fitting to experimental data.

Big Memory Elegance: HyperCard Information Processing and Desktop Publishing.

ERIC Educational Resources Information Center

Bitter, Gary G.; Gerson, Charles W., Jr.

1991-01-01

Discusses hardware requirements, functions, and applications of five information processing and desktop publishing software packages for the Macintosh: HyperCard, PageMaker, Cricket Presents, Power Point, and Adobe illustrator. Benefits of these programs for schools are considered. (MES)

On the constrained minimization of smooth Kurdyka—Łojasiewicz functions with the scaled gradient projection method

NASA Astrophysics Data System (ADS)

Prato, Marco; Bonettini, Silvia; Loris, Ignace; Porta, Federica; Rebegoldi, Simone

2016-10-01

The scaled gradient projection (SGP) method is a first-order optimization method applicable to the constrained minimization of smooth functions and exploiting a scaling matrix multiplying the gradient and a variable steplength parameter to improve the convergence of the scheme. For a general nonconvex function, the limit points of the sequence generated by SGP have been proved to be stationary, while in the convex case and with some restrictions on the choice of the scaling matrix the sequence itself converges to a constrained minimum point. In this paper we extend these convergence results by showing that the SGP sequence converges to a limit point provided that the objective function satisfies the Kurdyka-Łojasiewicz property at each point of its domain and its gradient is Lipschitz continuous.

United States Air Force High School Apprenticeship Program. 1990 Program Management Report. Volume 2

DTIC Science & Technology

1991-04-18

49-3 documentation application. The demonstration was created with Apple Computer’s HyperCard using a flowchart -like format with which the user could...Software, Inc.,1989. F-1_6 A/B Avionic System Manual. Fort Worth, TX: General Dynamics, 1990.I 5HyperCard Beginners Guide: An Introduction to

Statistical Mechanics of Node-perturbation Learning with Noisy Baseline

NASA Astrophysics Data System (ADS)

Hara, Kazuyuki; Katahira, Kentaro; Okada, Masato

2017-02-01

Node-perturbation learning is a type of statistical gradient descent algorithm that can be applied to problems where the objective function is not explicitly formulated, including reinforcement learning. It estimates the gradient of an objective function by using the change in the object function in response to the perturbation. The value of the objective function for an unperturbed output is called a baseline. Cho et al. proposed node-perturbation learning with a noisy baseline. In this paper, we report on building the statistical mechanics of Cho's model and on deriving coupled differential equations of order parameters that depict learning dynamics. We also show how to derive the generalization error by solving the differential equations of order parameters. On the basis of the results, we show that Cho's results are also apply in general cases and show some general performances of Cho's model.

Relationship between biomarkers of inflammation, oxidative stress and endothelial/microcirculatory function in successful aging versus healthy youth: a transversal study.

PubMed

Bottino, Daniel Alexandre; Lopes, Flávia Gomes; de Oliveira, Francisco José; Mecenas, Anete de Souza; Clapauch, Ruth; Bouskela, Eliete

2015-04-08

There is a functional decline of endothelial- dependent vasodilatation in the aging process. The aims of this study were to investigate if various microcirculatory parameters could correlate to anthropometrical variables, oxidative stress and inflammatory biomarkers in successful aging and compare the results to young healthy controls. Healthy elderly women (HE, 74.0 ± 8.7 years, n = 11) and young controls (YC, 23.1 ± 3.6 years, n = 24) were evaluated through nailfold videocapillaroscopy (NVC), venous occlusion plethysmography (VOP) and laboratorial analysis. Functional capillary density (FCD) and diameters, maximum red blood cell velocity (RBCVmax) during the reactive hyperemia response/RBCVbaseline after 1 min arterial occlusion at the finger base, time to reach RBCVmax were determined by NVC, peak increment of forearm blood flow (FBF) during the reactive hyperemia response (%Hyper) and after 0.4 mg sublingual nitroglycerin (%Nitro) by VOP and lipidogram, fibrinogen, fasting and postload glucose, oxidized LDL-cholesterol (oxLDL), sICAM, sVCAM, sE-Selectin, interleukines 1 and 6 and TNF-α by laboratorial analysis. Correlations and linear multiple regression (LMR) between %Hyper, %Nitro, microcirculatory parameters, oxidative stress and inflammatory biomarkers were investigated. sVCAM, sE-Selectin and oxLDL were higher and RBCVmax/RBCVbaseline and %Hyper lower in HE, while %Nitro and FCD remained unchanged. Fibrinogen, LDL-cholesterol, oxLDL correlated negatively to %Hyper while sVCAM correlated negatively to %Hyper and RBCVmax/RBCVbaseline. Healthy aged women presented dilated capillaries with sustained perfusion and endothelial dysfunction with preserved vascular smooth muscle reactivity. Fibrinogen, LDL-cholesterol, oxidized-LDL and sVCAM correlated negatively to endothelial function but not to microcirculatory parameters. Oxidized-LDL and sVCAM could determine %Hyper through LMR. Oxidized-LDL and sVCAM might be used as endothelial dysfunction biomarkers for elderly with normal cardiovascular risk factors.

QMR: A Quasi-Minimal Residual method for non-Hermitian linear systems

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Nachtigal, Noel M.

1990-01-01

The biconjugate gradient (BCG) method is the natural generalization of the classical conjugate gradient algorithm for Hermitian positive definite matrices to general non-Hermitian linear systems. Unfortunately, the original BCG algorithm is susceptible to possible breakdowns and numerical instabilities. A novel BCG like approach is presented called the quasi-minimal residual (QMR) method, which overcomes the problems of BCG. An implementation of QMR based on a look-ahead version of the nonsymmetric Lanczos algorithm is proposed. It is shown how BCG iterates can be recovered stably from the QMR process. Some further properties of the QMR approach are given and an error bound is presented. Finally, numerical experiments are reported.

A practical approach to spectral calibration of short wavelength infrared hyper-spectral imaging systems

NASA Astrophysics Data System (ADS)

Bürmen, Miran; Pernuš, Franjo; Likar, Boštjan

2010-02-01

Near-infrared spectroscopy is a promising, rapidly developing, reliable and noninvasive technique, used extensively in the biomedicine and in pharmaceutical industry. With the introduction of acousto-optic tunable filters (AOTF) and highly sensitive InGaAs focal plane sensor arrays, real-time high resolution hyper-spectral imaging has become feasible for a number of new biomedical in vivo applications. However, due to the specificity of the AOTF technology and lack of spectral calibration standardization, maintaining long-term stability and compatibility of the acquired hyper-spectral images across different systems is still a challenging problem. Efficiently solving both is essential as the majority of methods for analysis of hyper-spectral images relay on a priori knowledge extracted from large spectral databases, serving as the basis for reliable qualitative or quantitative analysis of various biological samples. In this study, we propose and evaluate fast and reliable spectral calibration of hyper-spectral imaging systems in the short wavelength infrared spectral region. The proposed spectral calibration method is based on light sources or materials, exhibiting distinct spectral features, which enable robust non-rigid registration of the acquired spectra. The calibration accounts for all of the components of a typical hyper-spectral imaging system such as AOTF, light source, lens and optical fibers. The obtained results indicated that practical, fast and reliable spectral calibration of hyper-spectral imaging systems is possible, thereby assuring long-term stability and inter-system compatibility of the acquired hyper-spectral images.

Gradient-based adaptation of general gaussian kernels.

PubMed

Glasmachers, Tobias; Igel, Christian

2005-10-01

Gradient-based optimizing of gaussian kernel functions is considered. The gradient for the adaptation of scaling and rotation of the input space is computed to achieve invariance against linear transformations. This is done by using the exponential map as a parameterization of the kernel parameter manifold. By restricting the optimization to a constant trace subspace, the kernel size can be controlled. This is, for example, useful to prevent overfitting when minimizing radius-margin generalization performance measures. The concepts are demonstrated by training hard margin support vector machines on toy data.

Preparation and corrosion resistance of electroless Ni-P/SiC functionally gradient coatings on AZ91D magnesium alloy

NASA Astrophysics Data System (ADS)

Wang, Hui-Long; Liu, Ling-Yun; Dou, Yong; Zhang, Wen-Zhu; Jiang, Wen-Feng

2013-12-01

In this paper, the protective electroless Ni-P/SiC gradient coatings on AZ91D magnesium alloy substrate were successfully prepared. The prepared Ni-P/SiC gradient coatings were characterized for its microstructure, morphology, microhardness and adhesion to the substrate. The deposition reaction kinetics was investigated and an empirical rate equation for electroless Ni-P/SiC plating on AZ91D magnesium alloy was developed. The anticorrosion properties of the Ni-P/SiC gradient coatings in 3.5 wt.% NaCl solution were evaluated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) studies. The potentiodynamic polarization measurements revealed that the SiC concentration in the bath and heat treatment can influence the corrosion protection performance of electroless deposited Ni-P/SiC gradient coatings. EIS studies indicated that higher charge transfer resistance and slightly lower capacitance values were obtained for Ni-P/SiC gradient coatings compared to Ni-P coatings. The corrosion resistance of the Ni-P/SiC gradient coatings increases initially and decreases afterwards with the sustained increasing of immersion time in the aggressive medium. The electroless Ni-P/SiC gradient coatings can afford better corrosion protection for magnesium alloy substrate compared with Ni-P coatings.

Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach

NASA Astrophysics Data System (ADS)

Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove

2018-02-01

We present an approach to treat sets of general fit-basis functions in a single uniform framework, where the functional form is supplied on input, i.e., the use of different functions does not require new code to be written. The fit-basis functions can be used to carry out linear fits to the grid of single points, which are generated with an adaptive density-guided approach (ADGA). A non-linear conjugate gradient method is used to optimize non-linear parameters if such are present in the fit-basis functions. This means that a set of fit-basis functions with the same inherent shape as the potential cuts can be requested and no other choices with regards to the fit-basis functions need to be taken. The general fit-basis framework is explored in relation to anharmonic potentials for model systems, diatomic molecules, water, and imidazole. The behaviour and performance of Morse and double-well fit-basis functions are compared to that of polynomial fit-basis functions for unsymmetrical single-minimum and symmetrical double-well potentials. Furthermore, calculations for water and imidazole were carried out using both normal coordinates and hybrid optimized and localized coordinates (HOLCs). Our results suggest that choosing a suitable set of fit-basis functions can improve the stability of the fitting routine and the overall efficiency of potential construction by lowering the number of single point calculations required for the ADGA. It is possible to reduce the number of terms in the potential by choosing the Morse and double-well fit-basis functions. These effects are substantial for normal coordinates but become even more pronounced if HOLCs are used.

Hyper-Assembly of Self-Assembled Glycoclusters Mediated by Specific Carbohydrate-Carbohydrate Interactions.

PubMed

Yan, Gengwei; Yamaguchi, Takumi; Suzuki, Tatsuya; Yanaka, Saeko; Sato, Sota; Fujita, Makoto; Kato, Koichi

2017-05-04

Hybridization of a self-assembled, spherical complex with oligosaccharides containing Lewis X, a functional trisaccharide displayed on various cell surfaces, yielded well-defined glycoclusters. The self-assembled glycoclusters exhibited homophilic hyper-assembly in aqueous solution in a Ca 2+ -dependent manner through specific carbohydrate-carbohydrate interactions, offering a structural scaffold for functional biomimetic systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atmospheric gradients from GNSS, VLBI, and DORIS analyses and from Numerical Weather Models during CONT14

NASA Astrophysics Data System (ADS)

Heinkelmann, Robert; Dick, Galina; Nilsson, Tobias; Soja, Benedikt; Wickert, Jens; Zus, Florian; Schuh, Harald

2015-04-01

Observations from space-geodetic techniques are nowadays increasingly used to derive atmospheric information for various commercial and scientific applications. A prominent example is the operational use of GNSS data to improve global and regional weather forecasts, which was started in 2006. Atmosphere gradients describe the azimuthal asymmetry of zenith delays. Estimates of geodetic and other parameters significantly improve when atmosphere gradients are determined in addition. Here we assess the capability of several space geodetic techniques (GNSS, VLBI, DORIS) to determine atmosphere gradients of refractivity. For this purpose we implement and compare various strategies for gradient estimation, such as different values for the temporal resolution and the corresponding parameter constraints. Applying least squares estimation the gradients are usually deterministically modelled as constants or piece-wise linear functions. In our study we compare this approach with a stochastic approach modelling atmosphere gradients as random walk processes and applying a Kalman Filter for parameter estimation. The gradients, derived from space geodetic techniques are verified by comparison with those derived from Numerical Weather Models (NWM). These model data were generated using raytracing calculations based on European Centre for Medium-Range Weather Forecast (ECMWF) and National Centers for Environmental Prediction (NCEP) analyses with different spatial resolutions. The investigation of the differences between the ECMWF and NCEP gradients hereby in addition allow for an empirical assessment of the quality of model gradients and how suitable the NWM data are for verification. CONT14 (2014-05-06 until 2014-05-20) is the youngest two week long continuous VLBI campaign carried out by IVS (International VLBI Service for Geodesy and Astrometry). It presents the state-of-the-art VLBI performance in terms of number of stations and number of observations and presents thus an excellent test period for comparisons with other space geodetic techniques. During the VLBI campaign CONT14 the HOBART12 and HOBART26 (Hobart, Tasmania, Australia) VLBI antennas were involved that co-locate with each other. The investigation of the gradient estimate differences from these co-located antennas allows for a valuable empirical quality assessment. Another quality criterion for gradient estimates are the differences of parameters at the borders of adjacent 24h-sessions. Both are investigated in our study.

On the effect of velocity gradients on the depth of correlation in μPIV

NASA Astrophysics Data System (ADS)

Mustin, B.; Stoeber, B.

2016-03-01

The present work revisits the effect of velocity gradients on the depth of the measurement volume (depth of correlation) in microscopic particle image velocimetry (μPIV). General relations between the μPIV weighting functions and the local correlation function are derived from the original definition of the weighting functions. These relations are used to investigate under which circumstances the weighting functions are related to the curvature of the local correlation function. Furthermore, this work proposes a modified definition of the depth of correlation that leads to more realistic results than previous definitions for the case when flow gradients are taken into account. Dimensionless parameters suitable to describe the effect of velocity gradients on μPIV cross correlation are derived and visual interpretations of these parameters are proposed. We then investigate the effect of the dimensionless parameters on the weighting functions and the depth of correlation for different flow fields with spatially constant flow gradients and with spatially varying gradients. Finally this work demonstrates that the results and dimensionless parameters are not strictly bound to a certain model for particle image intensity distributions but are also meaningful when other models for particle images are used.

A parametric heat transfer study for cryogenic ball bearings in SSME HPOTP

NASA Technical Reports Server (NTRS)

Chyu, Mingking K.

1989-01-01

A numerical modeling is to examine the effects of coolant convective heat transfer coefficient and frictional heating on the local temperature characteristics of a ball element in Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump (HPOTP) bearing. The present modeling uses a control-volume based, finite-difference method to solve the non-dimensionalized heat conduction equation in spherical coordinate system. The dimensionless temperature is found as a function of Biot number, heat flux ratio between the two race contacts, and location in the ball. The current results show that, for a given cooling capability, the ball temperature generally increases almost linearly with the heat input from the race-contacts. This increase is always very high at one of the two contacts. An increase in heat transfer coefficient generally reduces the ball temperature and alleviates the temperature gradient, except for the regions very close to the race contacts. For a 10-fold increase of heat transfer coefficient, temperature decrease is 35 percent for the average over entire ball, and 10 percent at the inner-race contact. The corresponding change of temperature gradient displays opposing trends between the regions immediately adjacent to the contacts and the remaining portion of the ball. The average temperature gradient in the vicinity of both contacts increases approximately 70 to 100 percent. A higher temperature gradient produces excessive thermal stress locally which may be detrimental to the material integrity. This, however, is the only unfavorable issue for an increase of heat transfer coefficient.

An Extension of the Krieger-Li-Iafrate Approximation to the Optimized-Effective-Potential Method

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

Wilson, B.G.

1999-11-11

The Krieger-Li-Iafrate approximation can be expressed as the zeroth order result of an unstable iterative method for solving the integral equation form of the optimized-effective-potential method. By pre-conditioning the iterate a first order correction can be obtained which recovers the bulk of quantal oscillations missing in the zeroth order approximation. A comparison of calculated total energies are given with Krieger-Li-Iafrate, Local Density Functional, and Hyper-Hartree-Fock results for non-relativistic atoms and ions.

Functional hyper-IL-6 from vaccinia virus-colonized tumors triggers platelet formation and helps to alleviate toxicity of mitomycin C enhanced virus therapy

PubMed Central

2012-01-01

Background Combination of oncolytic vaccinia virus therapy with conventional chemotherapy has shown promise for tumor therapy. However, side effects of chemotherapy including thrombocytopenia, still remain problematic. Methods Here, we describe a novel approach to optimize combination therapy of oncolytic virus and chemotherapy utilizing virus-encoding hyper-IL-6, GLV-1h90, to reduce chemotherapy-associated side effects. Results We showed that the hyper-IL-6 cytokine was successfully produced by GLV-1h90 and was functional both in cell culture as well as in tumor-bearing animals, in which the cytokine-producing vaccinia virus strain was well tolerated. When combined with the chemotherapeutic mitomycin C, the anti-tumor effect of the oncolytic virotherapy was significantly enhanced. Moreover, hyper-IL-6 expression greatly reduced the time interval during which the mice suffered from chemotherapy-induced thrombocytopenia. Conclusion Therefore, future clinical application would benefit from careful investigation of additional cytokine treatment to reduce chemotherapy-induced side effects. PMID:22236378

NMR and NQR parameters of ethanol crystal

NASA Astrophysics Data System (ADS)

Milinković, M.; Bilalbegović, G.

2012-04-01

Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic plane-wave density functional theory are used. The crystal data from X-ray measurements, as well as the structures where either all atomic, or only hydrogen atom positions are optimized in the density functional theory are analyzed. These structural models are also studied by including the semi-empirical van der Waals correction to the density functional theory. Infrared spectra of these five crystal models are calculated.

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

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

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

A Case Study of Controlling Crossover in a Selection Hyper-heuristic Framework Using the Multidimensional Knapsack Problem.

PubMed

Drake, John H; Özcan, Ender; Burke, Edmund K

2016-01-01

Hyper-heuristics are high-level methodologies for solving complex problems that operate on a search space of heuristics. In a selection hyper-heuristic framework, a heuristic is chosen from an existing set of low-level heuristics and applied to the current solution to produce a new solution at each point in the search. The use of crossover low-level heuristics is possible in an increasing number of general-purpose hyper-heuristic tools such as HyFlex and Hyperion. However, little work has been undertaken to assess how best to utilise it. Since a single-point search hyper-heuristic operates on a single candidate solution, and two candidate solutions are required for crossover, a mechanism is required to control the choice of the other solution. The frameworks we propose maintain a list of potential solutions for use in crossover. We investigate the use of such lists at two conceptual levels. First, crossover is controlled at the hyper-heuristic level where no problem-specific information is required. Second, it is controlled at the problem domain level where problem-specific information is used to produce good-quality solutions to use in crossover. A number of selection hyper-heuristics are compared using these frameworks over three benchmark libraries with varying properties for an NP-hard optimisation problem: the multidimensional 0-1 knapsack problem. It is shown that allowing crossover to be managed at the domain level outperforms managing crossover at the hyper-heuristic level in this problem domain.

Coherent radar estimates of high latitude field-aligned currents: the importance of conductance gradients

NASA Astrophysics Data System (ADS)

Kosch, M.; Nielsen, E.

Two bi-static VHF radar systems STARE and SABRE have been employed to estimate ionospheric electric field distributions in the geomagnetic latitude range 61 1 - 69 3 degrees over Scandinavia corresponding to the global Region 2 current system 173 days of data from all four radars have been analysed during the period 1982 to 1986 The average magnetic field-aligned currents have been computed as a function of the Kp and Ae indices using an empirical model of ionospheric Pedersen and Hall conductance taking into account conductance gradients The divergence of horizontal Pedersen currents and Hall conductance gradients have approximately the same importance for generating the Region 2 field-aligned currents Pedersen conductance gradients have a significant modifying effect A case study of field-aligned currents has been performed using the STARE radar system to obtain the instantaneous ionospheric electric field distribution in the vicinity of an auroral arc The instantaneous Hall conductance was estimated from the Scandinavian Magnetometer Array This study clearly shows that even for quiet steady state geomagnetic conditions conductance gradients are important modifiers of magnetic field-aligned currents

Response of the surface tropical Atlantic Ocean to wind forcing

NASA Astrophysics Data System (ADS)

Castellanos, Paola; Pelegrí, Josep L.; Campos, Edmo J. D.; Rosell-Fieschi, Miquel; Gasser, Marc

2015-05-01

We use 10 years of satellite data (sea level pressure, surface winds and absolute dynamic topography [ADT]) together with Argo-inferred monthly-mean values of near-surface velocity and water transport, to examine how the tropical system of near-surface zonal currents responds to wind forcing. The data is analyzed using complex Hilbert empirical orthogonal functions, confirming that most of the variance has annual periodicity, with maximum amplitudes in the region spanned by the seasonal displacement of the Inter-Tropical Convergence Zone (ITCZ). The ADT mirrors the shape of the upper isopycnals, hence becoming a good indicator of the amount of water stored in the upper ocean. Within about 3° from the Equator, where the Coriolis force is small, there is year-long meridional Ekman-transport divergence that would lead to the eastward transport of the Equatorial Undercurrent and its northern and southern branches. Beyond 3° of latitude, and at least as far as 20°, the convergence of the Ekman transport generally causes a poleward positive ADT gradient, which sustains the westward South Equatorial Current (SEC). The sole exception occurs in summer, between 8°N and 12°N, when an Ekman-transport divergence develops and depletes de amount of surface water, resulting in an ADT ridge-valley system which reverses the ADT gradient and drives the eastward North Equatorial Countercurrent (NECC) at latitudes 4-9°N; in late fall, divergence ceases and the NECC drains the ADT ridge, so the ADT gradient again becomes positive and the SEC reappears. The seasonal evolution of a tilted ITCZ controls the surface water fluxes: the wind-induced transports set the surface divergence-convergence, which then drive the ADT and, through the ADT gradients, create the geostrophic jets that close the water balance.

Micromechanics and Piezo Enhancements of HyperSizer

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Bednarcyk, Brett A.; Yarrington, Phillip; Collier, Craig S.

2006-01-01

The commercial HyperSizer aerospace-composite-material-structure-sizing software has been enhanced by incorporating capabilities for representing coupled thermal, piezoelectric, and piezomagnetic effects on the levels of plies, laminates, and stiffened panels. This enhancement is based on a formulation similar to that of the pre-existing HyperSizer capability for representing thermal effects. As a result of this enhancement, the electric and/or magnetic response of a material or structure to a mechanical or thermal load, or its mechanical response to an applied electric or magnetic field can be predicted. In another major enhancement, a capability for representing micromechanical effects has been added by establishment of a linkage between HyperSizer and Glenn Research Center s Micromechanics Analysis Code With Generalized Method of Cells (MAC/GMC) computer program, which was described in several prior NASA Tech Briefs articles. The linkage enables Hyper- Sizer to localize to the fiber and matrix level rather than only to the ply level, making it possible to predict local failures and to predict properties of plies from those of the component fiber and matrix materials. Advanced graphical user interfaces and database structures have been developed to support the new HyperSizer micromechanics capabilities.

Evidence for a hyper-reductive redox in a sub-set of heart failure patients.

PubMed

Sairam, Thiagarajan; Patel, Amit N; Subrahmanian, Meenu; Gopalan, Rajendiran; Pogwizd, Steven M; Ramalingam, Sudha; Sankaran, Ramalingam; Rajasekaran, Namakkal Soorapan

2018-05-18

Oxidative stress has been linked to heart failure (HF) in humans. Antioxidant-based treatments are often ineffective. Therefore, we hypothesize that some of the HF patients might have a reductive stress (RS) condition. Investigating RS-related mechanisms will aid in personalized optimization of redox homeostasis for better outcomes among HF patients. Blood samples were collected from HF patients (n = 54) and healthy controls (n = 42) and serum was immediately preserved in - 80 °C for redox analysis. Malondialdehyde (MDA; lipid peroxidation) levels by HPLC, reduced glutathione (GSH) and its redox ratio (GSH/GSSG) using enzymatic-recycling assay in the serum of HF patients were measured. Further, the activities of key antioxidant enzymes were analyzed by UV-Vis spectrophotometry. Non-invasive echocardiography was used to relate circulating redox status with cardiac function and remodeling. The circulatory redox state (GSH/MDA ratio) was used to stratify the HF patients into normal redox (NR), hyper-oxidative (HO), and hyper-reductive (HR) groups. While the majority of the HF patients exhibited the HO (42%), 41% of them had a normal redox (NR) state. Surprisingly, a subset of HF patients (17%) belonged to the hyper-reductive group, suggesting a strong implication for RS in the progression of HF. In all the groups of HF patients, SOD, GPx and catalase were significantly increased while GR activity was significantly reduced relative to healthy controls. Furthermore, echocardiography analyses revealed that 55% of HO patients had higher systolic dysfunction while 62.5% of the hyper-reductive patients had higher diastolic dysfunction. These results suggest that RS may be associated with HF pathogenesis for a subset of cardiac patients. Thus, stratification of HF patients based on their circulating redox status may serve as a useful prognostic tool to guide clinicians designing personalized antioxidant therapies.

Stochastic search, optimization and regression with energy applications

NASA Astrophysics Data System (ADS)

Hannah, Lauren A.

Designing clean energy systems will be an important task over the next few decades. One of the major roadblocks is a lack of mathematical tools to economically evaluate those energy systems. However, solutions to these mathematical problems are also of interest to the operations research and statistical communities in general. This thesis studies three problems that are of interest to the energy community itself or provide support for solution methods: R&D portfolio optimization, nonparametric regression and stochastic search with an observable state variable. First, we consider the one stage R&D portfolio optimization problem to avoid the sequential decision process associated with the multi-stage. The one stage problem is still difficult because of a non-convex, combinatorial decision space and a non-convex objective function. We propose a heuristic solution method that uses marginal project values---which depend on the selected portfolio---to create a linear objective function. In conjunction with the 0-1 decision space, this new problem can be solved as a knapsack linear program. This method scales well to large decision spaces. We also propose an alternate, provably convergent algorithm that does not exploit problem structure. These methods are compared on a solid oxide fuel cell R&D portfolio problem. Next, we propose Dirichlet Process mixtures of Generalized Linear Models (DPGLM), a new method of nonparametric regression that accommodates continuous and categorical inputs, and responses that can be modeled by a generalized linear model. We prove conditions for the asymptotic unbiasedness of the DP-GLM regression mean function estimate. We also give examples for when those conditions hold, including models for compactly supported continuous distributions and a model with continuous covariates and categorical response. We empirically analyze the properties of the DP-GLM and why it provides better results than existing Dirichlet process mixture regression models. We evaluate DP-GLM on several data sets, comparing it to modern methods of nonparametric regression like CART, Bayesian trees and Gaussian processes. Compared to existing techniques, the DP-GLM provides a single model (and corresponding inference algorithms) that performs well in many regression settings. Finally, we study convex stochastic search problems where a noisy objective function value is observed after a decision is made. There are many stochastic search problems whose behavior depends on an exogenous state variable which affects the shape of the objective function. Currently, there is no general purpose algorithm to solve this class of problems. We use nonparametric density estimation to take observations from the joint state-outcome distribution and use them to infer the optimal decision for a given query state. We propose two solution methods that depend on the problem characteristics: function-based and gradient-based optimization. We examine two weighting schemes, kernel-based weights and Dirichlet process-based weights, for use with the solution methods. The weights and solution methods are tested on a synthetic multi-product newsvendor problem and the hour-ahead wind commitment problem. Our results show that in some cases Dirichlet process weights offer substantial benefits over kernel based weights and more generally that nonparametric estimation methods provide good solutions to otherwise intractable problems.

Social cognition in schizophrenia: Factor structure, clinical and functional correlates

PubMed Central

Buck, Benjamin E.; Healey, Kristin M.; Gagen, Emily C.; Roberts, David L.; Penn, David L.

2016-01-01

Background Social cognition is consistently impaired in people with schizophrenia, separable from general neurocognition, predictive of real-world functioning, and amenable to psychosocial treatment. Few studies have empirically examined its underlying factor structure. Aims The present study (1) examines the factor structure of social cognition in both a sample of individuals with schizophrenia-spectrum disorders and non-clinical controls, and (2) explores relationships of factors to neurocognition, symptoms and functioning. Method A factor analysis was conducted on social cognition measures in a sample of sixty-five individuals with schizophrenia or schizoaffective disorder, and fifty control participants. The resulting factors were examined for their relationships to symptoms and functioning. Results Results suggested a two-factor structure in the schizophrenia sample (social cognition skill and hostile attributional style) and a three-factor structure in the non-clinical sample (hostile attributional style, higher-level inferential processing, and lower-level cue detection). In the schizophrenia sample, the social cognition skill factor was significantly related to negative symptoms and social functioning, while hostile attributional style predicted positive and general psychopathology symptoms. Conclusions The factor structure of social cognition in schizophrenia separates hostile attributional style and social cognition skill, and each show differential relationships to relevant clinical variables in schizophrenia. PMID:26747063

Solving the Hamilton-Jacobi equation for general relativity

NASA Astrophysics Data System (ADS)

Parry, J.; Salopek, D. S.; Stewart, J. M.

1994-03-01

We demonstrate a systematic method for solving the Hamilton-Jacobi equation for general relativity with the inclusion of matter fields. The generating functional is expanded in a series of spatial gradients. Each term is manifestly invariant under reparametrizations of the spatial coordinates (``gauge invariant''). At each order we solve the Hamiltonian constraint using a conformal transformation of the three-metric as well as a line integral in superspace. This gives a recursion relation for the generating functional which then may be solved to arbitrary order simply by functionally differentiating previous orders. At fourth order in spatial gradients we demonstrate solutions for irrotational dust as well as for a scalar field. We explicitly evolve the three-metric to the same order. This method can be used to derive the Zel'dovich approximation for general relativity.

Fire activity and severity in the western US vary along proxy gradients representing fuel amount and fuel moisture.

PubMed

Parks, Sean A; Parisien, Marc-André; Miller, Carol; Dobrowski, Solomon Z

2014-01-01

Numerous theoretical and empirical studies have shown that wildfire activity (e.g., area burned) at regional to global scales may be limited at the extremes of environmental gradients such as productivity or moisture. Fire activity, however, represents only one component of the fire regime, and no studies to date have characterized fire severity along such gradients. Given the importance of fire severity in dictating ecological response to fire, this is a considerable knowledge gap. For the western US, we quantify relationships between climate and the fire regime by empirically describing both fire activity and severity along two climatic water balance gradients, actual evapotranspiration (AET) and water deficit (WD), that can be considered proxies for fuel amount and fuel moisture, respectively. We also concurrently summarize fire activity and severity among ecoregions, providing an empirically based description of the geographic distribution of fire regimes. Our results show that fire activity in the western US increases with fuel amount (represented by AET) but has a unimodal (i.e., humped) relationship with fuel moisture (represented by WD); fire severity increases with fuel amount and fuel moisture. The explicit links between fire regime components and physical environmental gradients suggest that multivariable statistical models can be generated to produce an empirically based fire regime map for the western US. Such models will potentially enable researchers to anticipate climate-mediated changes in fire recurrence and its impacts based on gridded spatial data representing future climate scenarios.

Fire Activity and Severity in the Western US Vary along Proxy Gradients Representing Fuel Amount and Fuel Moisture

PubMed Central

Parks, Sean A.; Parisien, Marc-André; Miller, Carol; Dobrowski, Solomon Z.

2014-01-01

Numerous theoretical and empirical studies have shown that wildfire activity (e.g., area burned) at regional to global scales may be limited at the extremes of environmental gradients such as productivity or moisture. Fire activity, however, represents only one component of the fire regime, and no studies to date have characterized fire severity along such gradients. Given the importance of fire severity in dictating ecological response to fire, this is a considerable knowledge gap. For the western US, we quantify relationships between climate and the fire regime by empirically describing both fire activity and severity along two climatic water balance gradients, actual evapotranspiration (AET) and water deficit (WD), that can be considered proxies for fuel amount and fuel moisture, respectively. We also concurrently summarize fire activity and severity among ecoregions, providing an empirically based description of the geographic distribution of fire regimes. Our results show that fire activity in the western US increases with fuel amount (represented by AET) but has a unimodal (i.e., humped) relationship with fuel moisture (represented by WD); fire severity increases with fuel amount and fuel moisture. The explicit links between fire regime components and physical environmental gradients suggest that multivariable statistical models can be generated to produce an empirically based fire regime map for the western US. Such models will potentially enable researchers to anticipate climate-mediated changes in fire recurrence and its impacts based on gridded spatial data representing future climate scenarios. PMID:24941290

A Comparison of Genetic Programming Variants for Hyper-Heuristics

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

Harris, Sean

Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved, such as routing vehicles over highways with constantly changing traffic flows, because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. Hyper-heuristics typically employ Genetic Programming (GP) and this project has investigated the relationship between the choice of GP and performance inmore » Hyper-heuristics. Results are presented demonstrating the existence of problems for which there is a statistically significant performance differential between the use of different types of GP.« less

Functional diversity measures revealed impacts of non-native species and habitat degradation on species-poor freshwater fish assemblages.

PubMed

Colin, Nicole; Villéger, Sébastien; Wilkes, Martin; de Sostoa, Adolfo; Maceda-Veiga, Alberto

2018-06-01

Trait-based ecology has been developed for decades to infer ecosystem responses to stressors based on the functional structure of communities, yet its value in species-poor systems is largely unknown. Here, we used an extensive dataset in a Spanish region highly prone to non-native fish invasions (15 catchments, N=389 sites) to assess for the first time how species-poor communities respond to large-scale environmental gradients using a taxonomic and functional trait-based approach in riverine fish. We examined total species richness and three functional trait-based indices available when many sites have ≤3 species (specialization, FSpe; originality, FOri and entropy, FEnt). We assessed the responses of these taxonomic and functional indices along gradients of altitude, water pollution, physical habitat degradation and non-native fish biomass. Whilst species richness was relatively sensitive to spatial effects, functional diversity indices were responsive across natural and anthropogenic gradients. All four diversity measures declined with altitude but this decline was modulated by physical habitat degradation (richness, FSpe and FEnt) and the non-native:total fish biomass ratio (FSpe and FOri) in ways that varied between indices. Furthermore, FSpe and FOri were significantly correlated with Total Nitrogen. Non-native fish were a major component of the taxonomic and functional structure of fish communities, raising concerns about potential misdiagnosis between invaded and environmentally-degraded river reaches. Such misdiagnosis was evident in a regional fish index widely used in official monitoring programs. We recommend the application of FSpe and FOri to extensive datasets from monitoring programs in order to generate valuable cross-system information about the impacts of non-native species and habitat degradation, even in species-poor systems. Scoring non-native species apart from habitat degradation in the indices used to determine ecosystem health is essential to develop better management strategies. Copyright © 2018 Elsevier B.V. All rights reserved.

Detecting intrinsic dynamics of traffic flow with recurrence analysis and empirical mode decomposition

NASA Astrophysics Data System (ADS)

Xiong, Hui; Shang, Pengjian; Bian, Songhan

2017-05-01

In this paper, we apply the empirical mode decomposition (EMD) method to the recurrence plot (RP) and recurrence quantification analysis (RQA), to evaluate the frequency- and time-evolving dynamics of the traffic flow. Based on the cumulative intrinsic mode functions extracted by the EMD, the frequency-evolving RP regarding different oscillation of modes suggests that apparent dynamics of the data considered are mainly dominated by its components of medium- and low-frequencies while severely affected by fast oscillated noises contained in the signal. Noises are then eliminated to analyze the intrinsic dynamics and consequently, the denoised time-evolving RQA diversely characterizes the properties of the signal and marks crucial points more accurately where white bands in the RP occur, whereas a strongly qualitative agreement exists between all the non-denoised RQA measures. Generally, the EMD combining with the recurrence analysis sheds more reliable, abundant and inherent lights into the traffic flow, which is meaningful to the empirical analysis of complex systems.

RES: Regularized Stochastic BFGS Algorithm

NASA Astrophysics Data System (ADS)

Mokhtari, Aryan; Ribeiro, Alejandro

2014-12-01

RES, a regularized stochastic version of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton method is proposed to solve convex optimization problems with stochastic objectives. The use of stochastic gradient descent algorithms is widespread, but the number of iterations required to approximate optimal arguments can be prohibitive in high dimensional problems. Application of second order methods, on the other hand, is impracticable because computation of objective function Hessian inverses incurs excessive computational cost. BFGS modifies gradient descent by introducing a Hessian approximation matrix computed from finite gradient differences. RES utilizes stochastic gradients in lieu of deterministic gradients for both, the determination of descent directions and the approximation of the objective function's curvature. Since stochastic gradients can be computed at manageable computational cost RES is realizable and retains the convergence rate advantages of its deterministic counterparts. Convergence results show that lower and upper bounds on the Hessian egeinvalues of the sample functions are sufficient to guarantee convergence to optimal arguments. Numerical experiments showcase reductions in convergence time relative to stochastic gradient descent algorithms and non-regularized stochastic versions of BFGS. An application of RES to the implementation of support vector machines is developed.

Aspects of hot Galilean field theory

NASA Astrophysics Data System (ADS)

Jensen, Kristan

2015-04-01

We reconsider general aspects of Galilean-invariant thermal field theory. Using the proposal of our companion paper, we recast non-relativistic hydrodynamics in a manifestly covariant way and couple it to a background spacetime. We examine the concomitant consequences for the thermal partition functions of Galilean theories on a time-independent, but weakly curved background. We work out both the hydrodynamics and partition functions in detail for the example of parity-violating normal fluids in two dimensions to first order in the gradient expansion, finding results that differ from those previously reported in the literature. As for relativistic field theories, the equality-type constraints imposed by the existence of an entropy current appear to be in one-to-one correspondence with those arising from the existence of a hydrostatic partition function. Along the way, we obtain a number of useful results about non-relativistic hydrodynamics, including a manifestly boost-invariant presentation thereof, simplified Ward identities, the systematics of redefinitions of the fluid variables, and the positivity of entropy production.

Burst and inter-burst duration statistics as empirical test of long-range memory in the financial markets

NASA Astrophysics Data System (ADS)

Gontis, V.; Kononovicius, A.

2017-10-01

We address the problem of long-range memory in the financial markets. There are two conceptually different ways to reproduce power-law decay of auto-correlation function: using fractional Brownian motion as well as non-linear stochastic differential equations. In this contribution we address this problem by analyzing empirical return and trading activity time series from the Forex. From the empirical time series we obtain probability density functions of burst and inter-burst duration. Our analysis reveals that the power-law exponents of the obtained probability density functions are close to 3 / 2, which is a characteristic feature of the one-dimensional stochastic processes. This is in a good agreement with earlier proposed model of absolute return based on the non-linear stochastic differential equations derived from the agent-based herding model.

Implicit and Explicit Preference Structures in Models of Labor Supply.

ERIC Educational Resources Information Center

Dickinson, Jonathan

The study of labor supply is directed to a theoretical methodology under which the choice of the general functional form of the income-leisure preference structure may be regarded as an empirical question. The author has reviewed the common functional forms employed in empirical labor supply models and has characterized the inherent preference…

Domain Derivatives in Dielectric Rough Surface Scattering

DTIC Science & Technology

2015-01-01

and require the gradient of the objective function in the unknown model parameter vector at each stage of iteration. For large N, finite...differencing becomes numerically intensive, and an efficient alternative is domain differentiation in which the full gradient is obtained by solving a single...derivative calculation of the gradient for a locally perturbed dielectric interface. The method is non-variational, and algebraic in nature in that it

Atmospheric Teleconnections From Cumulants

NASA Astrophysics Data System (ADS)

Sabou, F.; Kaspi, Y.; Marston, B.; Schneider, T.

2011-12-01

Multi-point cumulants of fields such as vorticity provide a way to visualize atmospheric teleconnections, complementing other approaches such as the method of empirical orthogonal functions (EOFs). We calculate equal-time two-point cumulants of the vorticity from NCEP reanalysis data during the period 1980 -- 2010 and from direct numerical simulation (DNS) using an idealized dry general circulation model (GCM) (Schneider and Walker, 2006). Extratropical correlations seen in the NCEP data are qualitatively reproduced by the model. Three- and four-point cumulants accumulated from DNS quantify departures of the probability distribution function from a normal distribution, shedding light on the efficacy of direct statistical simulation (DSS) of atmosphere dynamics by cumulant expansions (Marston, Conover, and Schneider, 2008; Marston 2011). Lagged-time two-point cumulants between temperature gradients and eddy kinetic energy (EKE), accumulated by DNS of an idealized moist aquaplanet GCM (O'Gorman and Schneider, 2008), reveal dynamics of storm tracks. Regions of enhanced baroclinicity (as found along the eastern boundary of continents) lead to a local enhancement of EKE and a suppression of EKE further downstream as the storm track self-destructs (Kaspi and Schneider, 2011).

Deorbitalization strategies for meta-generalized-gradient-approximation exchange-correlation functionals

NASA Astrophysics Data System (ADS)

Mejia-Rodriguez, Daniel; Trickey, S. B.

2017-11-01

We explore the simplification of widely used meta-generalized-gradient approximation (mGGA) exchange-correlation functionals to the Laplacian level of refinement by use of approximate kinetic-energy density functionals (KEDFs). Such deorbitalization is motivated by the prospect of reducing computational cost while recovering a strictly Kohn-Sham local potential framework (rather than the usual generalized Kohn-Sham treatment of mGGAs). A KEDF that has been rather successful in solid simulations proves to be inadequate for deorbitalization, but we produce other forms which, with parametrization to Kohn-Sham results (not experimental data) on a small training set, yield rather good results on standard molecular test sets when used to deorbitalize the meta-GGA made very simple, Tao-Perdew-Staroverov-Scuseria, and strongly constrained and appropriately normed functionals. We also study the difference between high-fidelity and best-performing deorbitalizations and discuss possible implications for use in ab initio molecular dynamics simulations of complicated condensed phase systems.

Climatology and variability of SST frontal activity in Eastern Pacific Ocean over the past decade

NASA Astrophysics Data System (ADS)

Wang, Y.; Yuan, Y.

2016-12-01

Distribution of sea surface temperature (SST) fronts are derived from high-resolution MODIS dataset in Eastern Pacific Ocean from 2003 to 2015. Daily distribution of frontal activities shows detailed feature and movement of front and the discontinuity of the track of front cause by cloud coverage. Monthly frontal probability is calculated to investigate corresponding climatology and variability. Frontal probability is generally higher along the coast and decreasing offshore. The frontal activity could extend few hundreds of kilometers near the major capes and central Pacific Ocean. SST gradient associated with front is changing over different latitude with stronger gradient near the mid-latitude and under major topographic effects near tropics. Corresponding results from empirical orthogonal functions (EOF) shows major variability of SST front is found in mid-latitude and central Pacific Ocean. The temporal variability captures a strong interannual and annual variability in those regions, while Intraannual variability are found more important at small scale near major capes and topographic features. The frontal variability is highly impacted by wind stress, upwelling, air-sea interaction, current, topography, eddy activity, El Nino along with other factors. And front plays an importance role in influencing the distribution of nutrients, the activity of fisheries and the development of ecosystems.

High-order accurate finite-volume formulations for the pressure gradient force in layered ocean models

NASA Astrophysics Data System (ADS)

Engwirda, Darren; Kelley, Maxwell; Marshall, John

2017-08-01

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.

Electronic and magnetic properties of small rhodium clusters

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

Soon, Yee Yeen; Yoon, Tiem Leong; Lim, Thong Leng

2015-04-24

We report a theoretical study of the electronic and magnetic properties of rhodium-atomic clusters. The lowest energy structures at the semi-empirical level of rhodium clusters are first obtained from a novel global-minimum search algorithm, known as PTMBHGA, where Gupta potential is used to describe the atomic interaction among the rhodium atoms. The structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof generalized gradient approximation. For the purpose of calculating the magnetic moment of a given cluster, we calculate the optimized structure as a function of the spin multiplicity within the DFT framework.more » The resultant magnetic moments with the lowest energies so obtained allow us to work out the magnetic moment as a function of cluster size. Rhodium atomic clusters are found to display a unique variation in the magnetic moment as the cluster size varies. However, Rh{sub 4} and Rh{sub 6} are found to be nonmagnetic. Electronic structures of the magnetic ground-state structures are also investigated within the DFT framework. The results are compared against those based on different theoretical approaches available in the literature.« less

The educational gradient in marital disruption: a meta-analysis of European research findings.

PubMed

Matysiak, Anna; Styrc, Marta; Vignoli, Daniele

2014-01-01

A large number of empirical studies have investigated the effects of women's education on union dissolution in Europe, but results have varied substantially. This paper seeks to assess the relationship between educational attainment and the incidence of marital disruption by systematizing the existing empirical evidence. A quantitative literature review (a meta-analysis) was conducted to investigate the temporal change in the relationship, net of inter-study differences. The results point to a weakening of the positive educational gradient in marital disruption over time and even to a reversal in the direction of this gradient in some countries. The findings also show that the change in the educational gradient can be linked to an increase in access to divorce. Finally, the results suggest that women's empowerment has played an important role in changing the educational gradient, while the liberalization of divorce laws has not.

Implications of the idea of neurodiversity for understanding the origins of developmental disorders

NASA Astrophysics Data System (ADS)

Masataka, Nobuo

2017-03-01

Neurodiversity, a term initially used mostly by civil and human rights movements since the 1990s, refers to the notion that cognitive as well as emotional properties characteristic of developmental disorders such as autism spectrum disorders (ASD) are not necessarily deficits, but fall within normal behavioural variations exhibited by humans. The purpose of the present article is to examine the relevance of this notion to scientific research on ASD. On the assumption that one crucial survival advantage of intelligent activity is vigilance toward dangers in the external world, and such vigilance must work in the social domain as well as in the non-social domain, the author argues that the pattern of operation of an individual person's mind can be categorized according to the domain toward which that individual is more oriented. Individuals with ASD, overall, do not rely upon their social relationships but rather are predisposed to process perceived non-social objects in more depth, which manifests itself as hyper-sensation and hyper-attention to detail. It can be assumed that underconnectivity among cortical areas and subcortical areas underlies such mental operation neurologically. One of the main predictions based on this assumption is that all facets of psychological function are susceptible to disruption in ASD. Indeed, it has traditionally been thought that there are such general deficits in this disorder. However, contrary to the prevalent belief that people with ASD lack empathy, in fact people with ASD are capable of empathizing with the minds of others if those others are people with ASD. Thus, the neurological underconnectivity in ASD certainly leads some processing of information in the mind to work with less coordination, but has in fact contributed to providing Homo sapiens with behavioural variants. Finally, the clinical implications of the advantages of viewing ASD as a variation in neurodiversity are discussed.

Biologically-inspired data decorrelation for hyper-spectral imaging

NASA Astrophysics Data System (ADS)

Picon, Artzai; Ghita, Ovidiu; Rodriguez-Vaamonde, Sergio; Iriondo, Pedro Ma; Whelan, Paul F.

2011-12-01

Hyper-spectral data allows the construction of more robust statistical models to sample the material properties than the standard tri-chromatic color representation. However, because of the large dimensionality and complexity of the hyper-spectral data, the extraction of robust features (image descriptors) is not a trivial issue. Thus, to facilitate efficient feature extraction, decorrelation techniques are commonly applied to reduce the dimensionality of the hyper-spectral data with the aim of generating compact and highly discriminative image descriptors. Current methodologies for data decorrelation such as principal component analysis (PCA), linear discriminant analysis (LDA), wavelet decomposition (WD), or band selection methods require complex and subjective training procedures and in addition the compressed spectral information is not directly related to the physical (spectral) characteristics associated with the analyzed materials. The major objective of this article is to introduce and evaluate a new data decorrelation methodology using an approach that closely emulates the human vision. The proposed data decorrelation scheme has been employed to optimally minimize the amount of redundant information contained in the highly correlated hyper-spectral bands and has been comprehensively evaluated in the context of non-ferrous material classification

An optimized transversely isotropic, hyper-poro-viscoelastic finite element model of the meniscus to evaluate mechanical degradation following traumatic loading

PubMed Central

Wheatley, Benjamin B.; Fischenich, Kristine M.; Button, Keith D.; Haut, Roger C.; Haut Donahue, Tammy L.

2015-01-01

Inverse finite element (FE) analysis is an effective method to predict material behavior, evaluate mechanical properties, and study differences in biological tissue function. The meniscus plays a key role in load distribution within the knee joint and meniscal degradation is commonly associated with the onset of osteoarthritis. In the current study, a novel transversely isotropic hyper-poro-viscoelastic constitutive formulation was incorporated in a FE model to evaluate changes in meniscal material properties following tibiofemoral joint impact. A non-linear optimization scheme was used to fit the model output to indentation relaxation experimental data. This study is the first to investigate rate of relaxation in healthy versus impacted menisci. Stiffness was found to be decreased (p=0.003), while the rate of tissue relaxation increased (p=0.010) at twelve weeks post impact. Total amount of relaxation, however, did not change in the impacted tissue (p=0.513). PMID:25776872

Aerodynamic Parameter Estimation for the X-43A (Hyper-X) from Flight Data

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.; Derry, Stephen D.; Smith, Mark S.

2005-01-01

Aerodynamic parameters were estimated based on flight data from the third flight of the X-43A hypersonic research vehicle, also called Hyper-X. Maneuvers were flown using multiple orthogonal phase-optimized sweep inputs applied as simultaneous control surface perturbations at Mach 8, 7, 6, 5, 4, and 3 during the vehicle descent. Aerodynamic parameters, consisting of non-dimensional longitudinal and lateral stability and control derivatives, were estimated from flight data at each Mach number. Multi-step inputs at nearly the same flight conditions were also flown to assess the prediction capability of the identified models. Prediction errors were found to be comparable in magnitude to the modeling errors, which indicates accurate modeling. Aerodynamic parameter estimates were plotted as a function of Mach number, and compared with estimates from the pre-flight aerodynamic database, which was based on wind-tunnel tests and computational fluid dynamics. Agreement between flight estimates and values computed from the aerodynamic database was excellent overall.

The mid-cretaceous water bearer: Isotope mass balance quantification of the Albian hydrologic cycle

USGS Publications Warehouse

Ufnar, David F.; Gonzalez, Luis A.; Ludvigson, Greg A.; Brenner, Richard L.; Witzke, B.J.

2002-01-01

A latitudinal gradient in meteoric ??18O compositions compiled from paleosol sphaerosiderites throughout the Cretaceous Western Interior Basin (KWIB) (34-75??N paleolatitude) exhibits a steeper, more depleted trend than modern (predicted) values (3.0??? [34??N latitude] to 9.7??? [75??N] lighter). Furthermore, the sphaerosiderite meteoric ??18O latitudinal gradient is significantly steeper and more depleted (5.8??? [34??N] to 13.8??? [75??N] lighter) than a predicted gradient for the warm mid-Cretaceous using modern empirical temperature-??18O precipitation relationships. We have suggested that the steeper and more depleted (relative to the modern theoretical gradient) meteoric sphaerosiderite ??18O latitudinal gradient resulted from increased air mass rainout effects in coastal areas of the KWIB during the mid-Cretaceous. The sphaerosiderite isotopic data have been used to constrain a mass balance model of the hydrologic cycle in the northern hemisphere and to quantify precipitation rates of the equable 'greenhouse' Albian Stage in the KWIB. The mass balance model tracks the evolving isotopic composition of an air mass and its precipitation, and is driven by latitudinal temperature gradients. Our simulations indicate that significant increases in Albian precipitation (34-52%) and evaporation fluxes (76-96%) are required to reproduce the difference between modern and Albian meteoric siderite ??18O latitudinal gradients. Calculations of precipitation rates from model outputs suggest mid-high latitude precipitation rates greatly exceeded modern rates (156-220% greater in mid latitudes [2600-3300 mm/yr], 99% greater at high latitudes [550 mm/yr]). The calculated precipitation rates are significantly different from the precipitation rates predicted by some recent general circulation models (GCMs) for the warm Cretaceous, particularly in the mid to high latitudes. Our mass balance model by no means replaces GCMs. However, it is a simple and effective means of obtaining quantitative data regarding the mid-Cretaceous hydrologic cycle in the KWIB. Our goal is to encourage the incorporation of isotopic tracers into GCM simulations of the mid-Cretaceous, and to show how our empirical data and mass balance model estimates help constrain the boundary conditions. ?? 2002 Elsevier Science B.V. All rights reserved.

On the Role of the Electrical Field in Spark Plasma Sintering of UO2+x

PubMed Central

Tyrpekl, Vaclav; Naji, Mohamed; Holzhäuser, Michael; Freis, Daniel; Prieur, Damien; Martin, Philippe; Cremer, Bert; Murray-Farthing, Mairead; Cologna, Marco

2017-01-01

The electric field has a large effect on the stoichiometry and grain growth of UO2+x during Spark Plasma Sintering. UO2+x is gradually reduced to UO2.00 as a function of sintering temperature and time. A gradient in the oxidation state within the pellets is observed in intermediate conditions. The shape of the gradient depends unequivocally on the direction of the electrical field. The positive surface of the pellet shows a higher oxidation state compared to the negative one. An area with larger grain size is found close to the positive electrode, but not in contact with it. We interpret these findings with the redistribution of defects under an electric field, which affect the stoichiometry of UO2+x and thus the cation diffusivity. The results bear implications for understanding the electric field assisted sintering of UO2 and non-stoichiometric oxides in general. PMID:28422164

On the Role of the Electrical Field in Spark Plasma Sintering of UO2+x

NASA Astrophysics Data System (ADS)

Tyrpekl, Vaclav; Naji, Mohamed; Holzhäuser, Michael; Freis, Daniel; Prieur, Damien; Martin, Philippe; Cremer, Bert; Murray-Farthing, Mairead; Cologna, Marco

2017-04-01

The electric field has a large effect on the stoichiometry and grain growth of UO2+x during Spark Plasma Sintering. UO2+x is gradually reduced to UO2.00 as a function of sintering temperature and time. A gradient in the oxidation state within the pellets is observed in intermediate conditions. The shape of the gradient depends unequivocally on the direction of the electrical field. The positive surface of the pellet shows a higher oxidation state compared to the negative one. An area with larger grain size is found close to the positive electrode, but not in contact with it. We interpret these findings with the redistribution of defects under an electric field, which affect the stoichiometry of UO2+x and thus the cation diffusivity. The results bear implications for understanding the electric field assisted sintering of UO2 and non-stoichiometric oxides in general.

Rational computational design for the development of andrographolide molecularly imprinted polymer

NASA Astrophysics Data System (ADS)

Krishnan, Hemavathi; Islam, K. M. Shafiqul; Hamzah, Zainab; Ahmad, Mohd Noor

2017-10-01

Andrographolide is a popular medicinal compound derived from Andrographis Paniculata (AP). Molecularly Imprint Polymer (MIP) is a "Lock and Key" approach, where MIP is the lock and Andrographolide is the key which fits to the MIP lock by both physically and chemically. MIP will be used as selective extraction tool to enrich Andrographolide bioactive compound. Pre-polymerization step is crucial to design MIP. This work investigates molecular interactions and the Gibbs free binding energies on the development of MIP. The structure of Andrographolide (template) and functional monomers were drawn in HyperChem 8.0.10. A hybrid quantum chemical model was used with a few functional monomers. Possible conformations of template and functional monomer as 1:n (n < 4) were designed and simulated to geometrically optimize the complex to the lowest energy in gas phase. The Gibbs free binding energies of each conformation were calculated using semi-empirical PM3 simulation method. Results proved that functional monomers that contain carboxylic group shows higher binding energy compared to those with amine functional group. Itaconic acid (IA) chosen as the best functional monomer at optimum ratio (1:3) of template: monomer to prepare andrographolide MIP. This study demonstrates the importance of studying intermolecular interaction among template, functional monomer and template-monomer ratio in developing MIP.

How Can We Stop Our Children from Hurting Themselves? Stages of Change, Motivational Interviewing, and Exposure Therapy Applications for Non-Suicidal Self-Injury in Children and Adolescents

ERIC Educational Resources Information Center

Kamen, David G.

2009-01-01

Non-suicidal self-injury (NSSI) in children and adolescents is a major public health problem. Fortunately, we can apply functional analysis, in conjunction with empirically validated NSSI assessment measurements, to precisely evaluate the biopsychosocial risk factors and reinforcements that contextualize NSSI. Empirically validated behavioral…

Computing the scalar field couplings in 6D supergravity

NASA Astrophysics Data System (ADS)

Saidi, El Hassan

2008-11-01

Using non-chiral supersymmetry in 6D space-time, we compute the explicit expression of the metric the scalar manifold SO(1,1)×{SO(4,20)}/{SO(4)×SO(20)} of the ten-dimensional type IIA superstring on generic K3. We consider as well the scalar field self-couplings in the general case where the non-chiral 6D supergravity multiplet is coupled to generic n vector supermultiplets with moduli space SO(1,1)×{SO(4,n)}/{SO(4)×SO(n)}. We also work out a dictionary giving a correspondence between hyper-Kähler geometry and the Kähler geometry of the Coulomb branch of 10D type IIA on Calabi-Yau threefolds. Others features are also discussed.

Two dissimilar approaches to dynamical systems on hyper MV -algebras and their information entropy

NASA Astrophysics Data System (ADS)

Mehrpooya, Adel; Ebrahimi, Mohammad; Davvaz, Bijan

2017-09-01

Measuring the flow of information that is related to the evolution of a system which is modeled by applying a mathematical structure is of capital significance for science and usually for mathematics itself. Regarding this fact, a major issue in concern with hyperstructures is their dynamics and the complexity of the varied possible dynamics that exist over them. Notably, the dynamics and uncertainty of hyper MV -algebras which are hyperstructures and extensions of a central tool in infinite-valued Lukasiewicz propositional calculus that models many valued logics are of primary concern. Tackling this problem, in this paper we focus on the subject of dynamical systems on hyper MV -algebras and their entropy. In this respect, we adopt two varied approaches. One is the set-based approach in which hyper MV -algebra dynamical systems are developed by employing set functions and set partitions. By the other method that is based on points and point partitions, we establish the concept of hyper injective dynamical systems on hyper MV -algebras. Next, we study the notion of entropy for both kinds of systems. Furthermore, we consider essential ergodic characteristics of those systems and their entropy. In particular, we introduce the concept of isomorphic hyper injective and hyper MV -algebra dynamical systems, and we demonstrate that isomorphic systems have the same entropy. We present a couple of theorems in order to help calculate entropy. In particular, we prove a contemporary version of addition and Kolmogorov-Sinai Theorems. Furthermore, we provide a comparison between the indispensable properties of hyper injective and semi-independent dynamical systems. Specifically, we present and prove theorems that draw comparisons between the entropies of such systems. Lastly, we discuss some possible relationships between the theories of hyper MV -algebra and MV -algebra dynamical systems.

Rastall's and related theories are conservative gravitational theories although physically inequivalent to general relativity

NASA Technical Reports Server (NTRS)

Smalley, L. L.

1983-01-01

The proper framework for testing Rastall's theory and its generalizations is in the case of non-negligible (i.e. discernible) gravitational effects such as gravity gradients. These theories have conserved integral four-momentum and angular momentum. The Nordtvedt effect then provides limits on the parameters which arise as the result of the non-zero divergence of the energy-momentum tensor.

Instability of quantum equilibrium in Bohm's dynamics

PubMed Central

Colin, Samuel; Valentini, Antony

2014-01-01

We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation. PMID:25383020

Quantized vortices in arbitrary dimensions and the normal-to-superfluid phase transition

NASA Astrophysics Data System (ADS)

Bora, Florin

The structure and energetics of superflow around quantized vortices, and the motion inherited by these vortices from this superflow, are explored in the general setting of a superfluid in arbitrary dimensions. The vortices may be idealized as objects of co-dimension two, such as one-dimensional loops and two-dimensional closed surfaces, respectively, in the cases of three- and four-dimensional superfluidity. By using the analogy between vortical superflow and Ampere-Maxwell magnetostatics, the equilibrium superflow containing any specified collection of vortices is constructed. The energy of the superflow is found to take on a simple form for vortices that are smooth and asymptotically large, compared with the vortex core size. The motion of vortices is analyzed in general, as well as for the special cases of hyper-spherical and weakly distorted hyper-planar vortices. In all dimensions, vortex motion reflects vortex geometry. In dimension four and higher, this includes not only extrinsic but also intrinsic aspects of the vortex shape, which enter via the first and second fundamental forms of classical geometry. For hyper-spherical vortices, which generalize the vortex rings of three dimensional superfluidity, the energy-momentum relation is determined. Simple scaling arguments recover the essential features of these results, up to numerical and logarithmic factors. Extending these results to systems containing multiple vortices is elementary due to the linearity of the theory. The energy for multiple vortices is thus a sum of self-energies and power-law interaction terms. The statistical mechanics of a system containing vortices is addressed via the grand canonical partition function. A renormalization-group analysis in which the low energy excitations are integrated approximately, is used to compute certain critical coefficients. The exponents obtained via this approximate procedure are compared with values obtained previously by other means. For dimensions higher than three the superfluid density is found to vanish as the critical temperature is approached from below.

High-frequency rock temperature data from hyper-arid desert environments in the Atacama and the Antarctic Dry Valleys and implications for rock weathering

NASA Astrophysics Data System (ADS)

McKay, Christopher P.; Molaro, Jamie L.; Marinova, Margarita M.

2009-09-01

In desert environments with low water and salt contents, rapid thermal variations may be an important source of rock weathering. We have obtained temperature measurements of the surface of rocks in hyper-arid hot and cold desert environments at a rate of 1/s over several days. The values of temperature change over 1-second intervals were similar in hot and cold deserts despite a 30 °C difference in absolute rock surface temperature. The average percentage of the time dT/dt > 2 °C/min was ~ 8 ± 3%, > 4 °C/min was 1 ± 0.9%, and > 8 °C/min was 0.02 ± 0.03%. The maximum change over a 1-second interval was ~ 10 °C/min. When sampled to simulate data taken over intervals longer than 1 s, we found a reduction in time spent above the 2 °C/min temperature gradient threshold. For 1-minute samples, the time spent above any given threshold was about two orders of magnitude lower than the corresponding value for 1-second sampling. We suggest that a rough measure of efficacy of weathering as a function of frequency is the product of the percentage of time spent above a given threshold value multiplied by the damping depth for the corresponding frequency. This product has a broad maximum for periods between 3 and 10 s.

Anxiety and the aging brain: stressed out over p53?

PubMed

Scrable, Heidi; Burns-Cusato, Melissa; Medrano, Silvia

2009-12-01

We propose a model in which cell loss in the aging brain is seen as a root cause of behavioral changes that compromise quality of life, including the onset of generalized anxiety disorder, in elderly individuals. According to this model, as stem cells in neurogenic regions of the adult brain lose regenerative capacity, worn-out, dead, or damaged neurons fail to be replaced, leaving gaps in function. As most replacement involves inhibitory interneurons, either directly or indirectly, the net result is the acquisition over time of a hyper-excitable state. The stress axis is subserved by all three neurogenic regions in the adult brain, making it particularly susceptible to these age-dependent changes. We outline a molecular mechanism by which hyper-excitation of the stress axis in turn activates the tumor suppressor p53. This reinforces the loss of stem cell proliferative capacity and interferes with the feedback mechanism by which the glucocorticoid receptor turns off neuroendocrine pathways and resets the axis.

Response dynamics of bluff-body stabilized conical premixed turbulent flames with spatial mixture gradients

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

Chaudhuri, Swetaprovo; Cetegen, Baki M.

2009-03-15

Response of bluff-body stabilized conical turbulent premixed flames was experimentally studied for a range of excitation frequencies (10-400 Hz), mean flow velocities (5, 10 and 15 m/s) and three different spatial mixture distributions (uniform, inner and outer enrichment). Upstream excitation was provided by a loudspeaker producing velocity oscillation amplitudes of about 8% of the mean flow velocity. Flame response was detected by a photomultiplier observing the CH{sup *} emission from the flame. The studied turbulent flames exhibited transfer function characteristics of a low-pass filter with a cutoff Strouhal number between 0.08 and 0.12. The amplification factors at low frequencies rangedmore » from 2 to 20 and generally increased for mean flow velocities from 5 to 15 m/s. The highest levels of amplification were found for the outer mixture enrichment followed in decreasing order by uniform and inner mixture gradient cases. The high levels of flame response for the outer enrichment case were attributed to the enhanced flame-vortex interaction in outer jet shear layer. At high excitation levels (u{sup '}/U{sub m}{approx}0.3) for U{sub m}=5 m/ s where non-linear flame response is expected, the flame exhibited a reduced amplitude response in the frequency range between 40 and 100 Hz for the uniform and outer equivalence ratio gradient cases and no discernible effect for the inner equivalence ratio gradient. In all cases, transfer function phase was found to vary linearly with excitation frequency. Finally, a relationship between the amplitude characteristics of the bluff-body wake transfer function and flame blowoff equivalence ratio was presented. (author)« less

Hyperentanglement concentration for polarization-spatial-time-bin hyperentangled photon systems with linear optics

NASA Astrophysics Data System (ADS)

Wang, Hong; Ren, Bao-Cang; Alzahrani, Faris; Hobiny, Aatef; Deng, Fu-Guo

2017-10-01

Hyperentanglement has significant applications in quantum information processing. Here we present an efficient hyperentanglement concentration protocol (hyper-ECP) for partially hyperentangled Bell states simultaneously entangled in polarization, spatial-mode and time-bin degrees of freedom (DOFs) with the parameter-splitting method, where the parameters of the partially hyperentangled Bell states are known to the remote parties. In this hyper-ECP, only one remote party is required to perform some local operations on the three DOFs of a photon, only the linear optical elements are considered, and the success probability can achieve the maximal value. Our hyper-ECP can be easily generalized to concentrate the N-photon partially hyperentangled Greenberger-Horne-Zeilinger states with known parameters, where the multiple DOFs have largely improved the channel capacity of long-distance quantum communication. All of these make our hyper-ECP more practical and useful in high-capacity long-distance quantum communication.

Relating the structure of geminal amido esters to their molecular hyperpolarizability

DOE PAGES

Cole, Jacqueline M.; Lin, Tze -Chia; Ashcroft, Christopher M.; ...

2016-12-05

Advanced organic non-linear optical (NLO) materials have attracted increasing attention due to their multitude of applications in modern telecommunication devices. Arguably the most important advantage of organic NLO materials, relative to traditionally used inorganic NLO materials, is their short optical response time. Geminal amido esters with their donor-x-acceptor (D-π-A) architecture exhibit high levels of electron delocalization and substantial intramolecular charge transfer, which should endow these materials with short optical response times and large molecular (hyper)polarizabilities. In order to test this hypothesis, the linear and second-order non-linear optical properties of five geminal amido esters, ( E)-ethyl 3-(X-phenylamino)-2-(Y-phenylcarbamoyl)acrylate (1: X = 4-H,Ymore » = 4-H; 2: X= 4-CH 3, Y = 4-CH 3; 3: X = 4-NO 2, Y = 2,5-OCH 3; 4: X = 2-Cl, Y = 2-Cl; 5: X = 4-Cl, Y = 4-Cl) were synthesized and characterized, whereby NLO structure-function relationships were established including intramolecular charge transfer characteristics, crystal field effects, and molecular first hyperpolarizabilities β. Given the typically large errors (10-30%) associated with the determination of (β) coefficients, three independent methods were used: i) density functional theory, ii) hyper-Rayleigh scattering, and iii) high-resolution X-ray diffraction data analysis based on multipolar modeling of electron densities at each atom. These three methods delivered consistent values of β, and based on these results, 3 should hold the most promise for NLO applications. In conclusion, the correlation between the molecular structure of these geminal amido esters and their linear and non-linear optical properties thus provide molecular design guidelines for organic NLO materials; this leads to the ultimate goal of generating bespoke organic molecules to suit a given NLO device application.« less

Long-term outcomes of septal reduction for obstructive hypertrophic cardiomyopathy.

PubMed

Sedehi, Daniel; Finocchiaro, Gherardo; Tibayan, Yen; Chi, Jeffrey; Pavlovic, Aleksandra; Kim, Young M; Tibayan, Frederick A; Reitz, Bruce A; Robbins, Robert C; Woo, Joseph; Ha, Richard; Lee, David P; Ashley, Euan A

2015-07-01

Surgical myectomy and alcohol septal ablation (ASA) aim to decrease left ventricular outflow tract (LVOT) gradient in hypertrophic cardiomyopathy (HCM). Outcome of myectomy beyond 10 years has rarely been described. We describe 20 years of follow-up of surgical myectomy and 5 years of follow-up for ASA performed for obstructive HCM. We studied 171 patients who underwent myectomy for symptomatic LVOT obstruction between 1972 and 2006. In addition, we studied 52 patients who underwent ASA for the same indication and who declined surgery. Follow-up of New York Heart Association (NYHA) functional class, echocardiographic data, and vital status were obtained from patient records. Mortality rates were compared with expected mortality rates of age- and sex-matched populations. Surgical myectomy improved NYHA class (2.74±0.65 to 1.54±0.74, p<0.001), reduced resting gradient (67.4±43.4mmHg to 11.2±16.4mmHg, p<0.001), and inducible LVOT gradient (98.1±34.7mmHg to 33.6±34.9mmHg, p<0.001). Similarly, ASA improved functional class (2.99±0.35 to 1.5±0.74, p<0.001), resting gradient (67.1±26.9mmHg to 23.9±29.4mmHg, p<0.001) and provoked gradient (104.4±34.9mmHg to 35.5±38.6mmHg, p<0.001). Survival after myectomy at 5, 10, 15, and 20 years of follow-up was 92.9%, 81.1%, 68.9%, and 47.5%, respectively. Of note, long-term survival after myectomy was lower than for the general population [standardized mortality ratio (SMR)=1.40, p<0.005], but still compared favorably with historical data from non-operated HCM patients. Survival after ASA at 2 and 5 years was 97.8% and 94.7%, respectively. Short-term (5 year) survival after ASA (SMR=0.61, p=0.48) was comparable to that of the general population. Long-term follow-up of septal reduction strategies in obstructive HCM reveals that surgical myectomy and ASA are effective for symptom relief and LVOT gradient reduction and are associated with favorable survival. While overall prognosis for the community HCM population is similar to the general population, the need for surgical myectomy may identify a sub-group with poorer long-term prognosis. We await long-term outcomes of more extensive myectomy approaches adopted in the past 10 years at major institutions. Copyright © 2015. Published by Elsevier Ltd.

Phylogenetic niche conservatism explains an inverse latitudinal diversity gradient in freshwater arthropods

NASA Astrophysics Data System (ADS)

Morinière, Jérôme; van Dam, Matthew H.; Hawlitschek, Oliver; Bergsten, Johannes; Michat, Mariano C.; Hendrich, Lars; Ribera, Ignacio; Toussaint, Emmanuel F. A.; Balke, Michael

2016-05-01

The underlying mechanisms responsible for the general increase in species richness from temperate regions to the tropics remain equivocal. Many hypotheses have been proposed to explain this astonishing pattern but additional empirical studies are needed to shed light on the drivers at work. Here we reconstruct the evolutionary history of the cosmopolitan diving beetle subfamily Colymbetinae, the majority of which are found in the Northern hemisphere, hence exhibiting an inversed latitudinal diversity gradient. We reconstructed a dated phylogeny using 12 genes, to investigate the biogeographical history and diversification dynamics in the Colymbetinae. We aimed to identify the role that phylogenetic niche conservatism plays in the inversed diversification pattern seen in this group. Our results suggest that Colymbetinae originated in temperate climates, which supports the hypothesis that their distribution is the result of an ancestral adaptation to temperate environmental conditions rather than tropical origins, and that temperate niche conservatism can generate and/or maintain inverse latitudinal diversity gradients.

Phylogenetic niche conservatism explains an inverse latitudinal diversity gradient in freshwater arthropods

PubMed Central

Morinière, Jérôme; Van Dam, Matthew H.; Hawlitschek, Oliver; Bergsten, Johannes; Michat, Mariano C.; Hendrich, Lars; Ribera, Ignacio; Toussaint, Emmanuel F.A.; Balke, Michael

2016-01-01

The underlying mechanisms responsible for the general increase in species richness from temperate regions to the tropics remain equivocal. Many hypotheses have been proposed to explain this astonishing pattern but additional empirical studies are needed to shed light on the drivers at work. Here we reconstruct the evolutionary history of the cosmopolitan diving beetle subfamily Colymbetinae, the majority of which are found in the Northern hemisphere, hence exhibiting an inversed latitudinal diversity gradient. We reconstructed a dated phylogeny using 12 genes, to investigate the biogeographical history and diversification dynamics in the Colymbetinae. We aimed to identify the role that phylogenetic niche conservatism plays in the inversed diversification pattern seen in this group. Our results suggest that Colymbetinae originated in temperate climates, which supports the hypothesis that their distribution is the result of an ancestral adaptation to temperate environmental conditions rather than tropical origins, and that temperate niche conservatism can generate and/or maintain inverse latitudinal diversity gradients. PMID:27215956

Practical estimate of gradient nonlinearity for implementation of apparent diffusion coefficient bias correction.

PubMed

Malkyarenko, Dariya I; Chenevert, Thomas L

2014-12-01

To describe an efficient procedure to empirically characterize gradient nonlinearity and correct for the corresponding apparent diffusion coefficient (ADC) bias on a clinical magnetic resonance imaging (MRI) scanner. Spatial nonlinearity scalars for individual gradient coils along superior and right directions were estimated via diffusion measurements of an isotropicic e-water phantom. Digital nonlinearity model from an independent scanner, described in the literature, was rescaled by system-specific scalars to approximate 3D bias correction maps. Correction efficacy was assessed by comparison to unbiased ADC values measured at isocenter. Empirically estimated nonlinearity scalars were confirmed by geometric distortion measurements of a regular grid phantom. The applied nonlinearity correction for arbitrarily oriented diffusion gradients reduced ADC bias from 20% down to 2% at clinically relevant offsets both for isotropic and anisotropic media. Identical performance was achieved using either corrected diffusion-weighted imaging (DWI) intensities or corrected b-values for each direction in brain and ice-water. Direction-average trace image correction was adequate only for isotropic medium. Empiric scalar adjustment of an independent gradient nonlinearity model adequately described DWI bias for a clinical scanner. Observed efficiency of implemented ADC bias correction quantitatively agreed with previous theoretical predictions and numerical simulations. The described procedure provides an independent benchmark for nonlinearity bias correction of clinical MRI scanners.

A hyper-temporal remote sensing protocol for detecting ecosystem disturbance, classifying ecological state, and assessing soil resilience

USDA-ARS?s Scientific Manuscript database

Hyper-temporal remote sensing is capable of detecting detailed information on vegetation dynamics relating to plant functional types (PFT), a useful proxy for estimating soil physical and chemical properties. A central concept of PFT is that plant morphological and physiological adaptations are link...

[Would the Screening of Common Mental Disorders in Primary-Care Health Services Hyper-Frequent Patients Be Useful?].

PubMed

Rincón-Hoyos, Hernán G; López, Mérida R Rodríguez; Ruiz, Ana María Villa; Hernández, Carlos Augusto; Ramos, Martha Lucía

2012-12-01

Hyper-frequentation in health services is a problem for patients, their families and the institutions. This study is aimed at determining the frequency and characteristics of common mental disorders in hyper-frequent patients showing vague symptoms and signs at a primary healthcare service during the year 2007 in the city of Cali (Colombia). Cross sectional. The most frequent mental disorders in hyper-frequent patients were detected through a telephone interview which included several modules of the PRIME MD instrument. In general, healthcare service hyper-frequenters are working women, 38,7-year old in average. Basically, the consultation is due to cephalalgia but they also exhibit a high prevalence of common mental disorders (somatization, depression and anxiety) not easily diagnosed by physicians in primary care. Expenses for additional health activities generated by these patients are attributed basically to medical consultation and required procedures. Considering hyper-frequenters in health care services as a risk group in terms of common mental disorders involves screening as an efficient strategy to prevent abuse in service use and to improve satisfaction with the attention received. Copyright © 2012 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

Wavelet packets for multi- and hyper-spectral imagery

NASA Astrophysics Data System (ADS)

Benedetto, J. J.; Czaja, W.; Ehler, M.; Flake, C.; Hirn, M.

2010-01-01

State of the art dimension reduction and classification schemes in multi- and hyper-spectral imaging rely primarily on the information contained in the spectral component. To better capture the joint spatial and spectral data distribution we combine the Wavelet Packet Transform with the linear dimension reduction method of Principal Component Analysis. Each spectral band is decomposed by means of the Wavelet Packet Transform and we consider a joint entropy across all the spectral bands as a tool to exploit the spatial information. Dimension reduction is then applied to the Wavelet Packets coefficients. We present examples of this technique for hyper-spectral satellite imaging. We also investigate the role of various shrinkage techniques to model non-linearity in our approach.

A Novel Gradient Vector Flow Snake Model Based on Convex Function for Infrared Image Segmentation

PubMed Central

Zhang, Rui; Zhu, Shiping; Zhou, Qin

2016-01-01

Infrared image segmentation is a challenging topic because infrared images are characterized by high noise, low contrast, and weak edges. Active contour models, especially gradient vector flow, have several advantages in terms of infrared image segmentation. However, the GVF (Gradient Vector Flow) model also has some drawbacks including a dilemma between noise smoothing and weak edge protection, which decrease the effect of infrared image segmentation significantly. In order to solve this problem, we propose a novel generalized gradient vector flow snakes model combining GGVF (Generic Gradient Vector Flow) and NBGVF (Normally Biased Gradient Vector Flow) models. We also adopt a new type of coefficients setting in the form of convex function to improve the ability of protecting weak edges while smoothing noises. Experimental results and comparisons against other methods indicate that our proposed snakes model owns better ability in terms of infrared image segmentation than other snakes models. PMID:27775660

Relationship between Trends in Land Precipitation and Tropical SST Gradient

NASA Technical Reports Server (NTRS)

Chung, Chul Eddy; Ramanathan, V.

2007-01-01

In this study, we examined global zonal/annual mean precipitation trends. Land precipitation trend from 1951 to 2002 shows widespread drying between 10 S to 20 N but the trend from 1977 to 2002 shows partial recovery. Based on general circulation model sensitivity studies, we suggested that these features are driven largely by the meridional SST gradient trend in the tropics. Our idealized CCM3 experiments substantiated that land precipitation is more sensitive to meridional SST gradient than to an overall tropical warming. Various simulations produced for the IPCC 4th assessment report demonstrate that increasing CO2 increases SST in the entire tropics non-uniformly and increases land precipitation only in certain latitude belts, again pointing to the importance of SST gradient change. Temporally varying aerosols in the IPCC simulations alter meridional SST gradient and land precipitation substantially. Anthropogenic aerosol direct solar forcing without its effects on SST is shown by the CCM3 to have weak but non-negligible influence on land precipitation.

The effective hyper-Kähler potential in the N = 2 supersymmetric QCD

NASA Astrophysics Data System (ADS)

Ketov, Sergei V.

1997-02-01

The effective low-energy hyper-Kähler potential for a massive N = 2 matter in N = 2 super-QCD is investigated. TheN = 2 extended supersymmetry severely restricts the N = 2 matter self-couplings so that their exact form can be fixed by a few parameters, which is apparent in the N = 2 harmonic superspace. In the N = 2 QED with a single matter hypermultiplet, the one-loop perturbative calculations lead to the Taub-NUT hyper-Kähler metric in the massive case, and a free metric in the massless case. It is remarkable that the naive non-renormalization `theorem' does not apply. There exists a manifestly N = 2 supersymmetric duality transformation converting the low-energy effective action for the N = 2 QED hypermultiplet into a sum of the quadratic and the improved (non-polynomial) actions for an N = 2 tensor multiplet. The duality transformation also gives a simple connection between the low-energy effective action in the N = 2 harmonic superspace and the component results.

Thyroid status and nitric oxide in rat arterial vessels.

PubMed

McAllister, R M; Albarracin, I; Price, E M; Smith, T K; Turk, J R; Wyatt, K D

2005-04-01

Thyroid disease has profound effects on cardiovascular function. Hypo- and hyperthyroidism, for example, are associated with reduced and increased maximal endothelium-dependent vasodilation respectively. We therefore hypothesized that the capacity for vascular nitric oxide (NO) formation is decreased in hypothyroidism and increased in hyperthyroidism. To test this hypothesis, rats were made hypothyroid (HYPO) with propylthiouracil or hyperthyroid (HYPER) with triiodothyronine over 3-4 months. Compared with euthyroid control rats (EUT), HYPO exhibited blunted growth and lower citrate synthase activity in the soleus muscle; HYPER exhibited left ventricular hypertrophy and higher citrate synthase activity in the soleus muscle (P<0.05 for all effects). The capacity for NO formation was determined in aortic extracts by formation of [3H]L-citrulline from [3H]L-arginine, i.e. NO synthase (NOS) activity. Thyroid status modulated NOS activity (EUT, 36.8 +/- 5.5 fmol/h per mg protein; HYPO, 26.0 +/- 7.9; HYPER, 64.6 +/- 12.7; P<0.05, HYPER vs HYPO). Expression of endothelial and neural isoforms of NOS was modulated by thyroid status in a parallel fashion. Capacity for responding to NO was also determined via measuring cGMP concentration in aortae incubated with sodium nitroprusside. Stimulated cGMP formation was also modulated by thyroid status (EUT, 73.0 +/- 20.2 pmol/mg protein; HYPO, 152.4 +/- 48.7; HYPER, 10.4 +/- 2.6; P<0.05, HYPER vs HYPO). These data indicate that thyroid status alters capacities for both formation of and responding to NO. The former finding may contribute to previous findings concerning vascular function in thyroid disease states.

Activity of genes with functions in human Williams-Beuren Syndrome are impacted by mobile element insertions in the gray wolf genome.

PubMed

vonHoldt, Bridgett M; Ji, Sarah S; Aardema, Matthew L; Stahler, Daniel; Udell, Monique A R; Sinsheimer, Janet S

2018-06-01

In canines, transposon dynamics have been associated with a hyper-social behavioral syndrome, although the functional mechanism has yet to be described. We investigate the epigenetic and transcriptional consequences of these behavior-associated mobile element insertions in dogs and Yellowstone wolves. We posit that the transposons themselves may not be the causative feature; rather, their transcriptional regulation may exert the functional impact. We survey four outlier transposons associated with hyper-sociability, with the expectation that they are targeted for epigenetic silencing. We predict hyper-methylation of mobile element insertions (MEIs), suggestive that the epigenetic silencing of and not the MEIs themselves may be driving dysregulation of nearby genes. We found that transposon-derived sequences are significantly hyper-methylated, regardless of their copy number or species. Further, we have assessed transcriptome sequence data and found evidence that mobile element insertions impact the expression levels of six genes (WBSCR17, LIMK1, GTF2I, WBSCR27, BAZ1B, and BCL7B), all of which have known roles in human Williams-Beuren syndrome due to changes in copy number, typically hemizygosity. Although further evidence is needed, our results suggest that a few insertions alter local expression at multiple genes, likely through a cis-regulatory mechanism that excludes proximal methylation.

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

PubMed

Yang, Weitao; Mori-Sánchez, Paula; Cohen, Aron J

2013-09-14

The exact conditions for density functionals and density matrix functionals in terms of fractional charges and fractional spins are known, and their violation in commonly used functionals has been shown to be the root of many major failures in practical applications. However, approximate functionals are designed for physical systems with integer charges and spins, not in terms of the fractional variables. Here we develop a general framework for extending approximate density functionals and many-electron theory to fractional-charge and fractional-spin systems. Our development allows for the fractional extension of any approximate theory that is a functional of G(0), the one-electron Green's function of the non-interacting reference system. The extension to fractional charge and fractional spin systems is based on the ensemble average of the basic variable, G(0). We demonstrate the fractional extension for the following theories: (1) any explicit functional of the one-electron density, such as the local density approximation and generalized gradient approximations; (2) any explicit functional of the one-electron density matrix of the non-interacting reference system, such as the exact exchange functional (or Hartree-Fock theory) and hybrid functionals; (3) many-body perturbation theory; and (4) random-phase approximations. A general rule for such an extension has also been derived through scaling the orbitals and should be useful for functionals where the link to the Green's function is not obvious. The development thus enables the examination of approximate theories against known exact conditions on the fractional variables and the analysis of their failures in chemical and physical applications in terms of violations of exact conditions of the energy functionals. The present work should facilitate the calculation of chemical potentials and fundamental bandgaps with approximate functionals and many-electron theories through the energy derivatives with respect to the fractional charge. It should play an important role in developing accurate approximate density functionals and many-body theory.

Dynamical behaviors determined by the Lyapunov function in competitive Lotka-Volterra systems.

PubMed

Tang, Ying; Yuan, Ruoshi; Ma, Yian

2013-01-01

Dynamical behaviors of the competitive Lotka-Volterra system even for 3 species are not fully understood. In this paper, we study this problem from the perspective of the Lyapunov function. We construct explicitly the Lyapunov function using three examples of the competitive Lotka-Volterra system for the whole state space: (1) the general 2-species case, (2) a 3-species model, and (3) the model of May-Leonard. The basins of attraction for these examples are demonstrated, including cases with bistability and cyclical behavior. The first two examples are the generalized gradient system, where the energy dissipation may not follow the gradient of the Lyapunov function. In addition, under a new type of stochastic interpretation, the Lyapunov function also leads to the Boltzmann-Gibbs distribution on the final steady state when multiplicative noise is added.

Dynamical behaviors determined by the Lyapunov function in competitive Lotka-Volterra systems

NASA Astrophysics Data System (ADS)

Tang, Ying; Yuan, Ruoshi; Ma, Yian

2013-01-01

Dynamical behaviors of the competitive Lotka-Volterra system even for 3 species are not fully understood. In this paper, we study this problem from the perspective of the Lyapunov function. We construct explicitly the Lyapunov function using three examples of the competitive Lotka-Volterra system for the whole state space: (1) the general 2-species case, (2) a 3-species model, and (3) the model of May-Leonard. The basins of attraction for these examples are demonstrated, including cases with bistability and cyclical behavior. The first two examples are the generalized gradient system, where the energy dissipation may not follow the gradient of the Lyapunov function. In addition, under a new type of stochastic interpretation, the Lyapunov function also leads to the Boltzmann-Gibbs distribution on the final steady state when multiplicative noise is added.

Elasticity of fractal materials using the continuum model with non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-01-01

Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.

Quantitative computed tomography determined regional lung mechanics in normal nonsmokers, normal smokers and metastatic sarcoma subjects.

PubMed

Choi, Jiwoong; Hoffman, Eric A; Lin, Ching-Long; Milhem, Mohammed M; Tessier, Jean; Newell, John D

2017-01-01

Extra-thoracic tumors send out pilot cells that attach to the pulmonary endothelium. We hypothesized that this could alter regional lung mechanics (tissue stiffening or accumulation of fluid and inflammatory cells) through interactions with host cells. We explored this with serial inspiratory computed tomography (CT) and image matching to assess regional changes in lung expansion. We retrospectively assessed 44 pairs of two serial CT scans on 21 sarcoma patients: 12 without lung metastases and 9 with lung metastases. For each subject, two or more serial inspiratory clinically-derived CT scans were retrospectively collected. Two research-derived control groups were included: 7 normal nonsmokers and 12 asymptomatic smokers with two inspiratory scans taken the same day or one year apart respectively. We performed image registration for local-to-local matching scans to baseline, and derived local expansion and density changes at an acinar scale. Welch two sample t test was used for comparison between groups. Statistical significance was determined with a p value < 0.05. Lung regions of metastatic sarcoma patients (but not the normal control group) demonstrated an increased proportion of normalized lung expansion between the first and second CT. These hyper-expanded regions were associated with, but not limited to, visible metastatic lung lesions. Compared with the normal control group, the percent of increased normalized hyper-expanded lung in sarcoma subjects was significantly increased (p < 0.05). There was also evidence of increased lung "tissue" volume (non-air components) in the hyper-expanded regions of the cancer subjects relative to non-hyper-expanded regions. "Tissue" volume increase was present in the hyper-expanded regions of metastatic and non-metastatic sarcoma subjects. This putatively could represent regional inflammation related to the presence of tumor pilot cell-host related interactions. This new quantitative CT (QCT) method for linking serial acquired inspiratory CT images may provide a diagnostic and prognostic means to objectively characterize regional responses in the lung following oncological treatment and monitoring for lung metastases.

Colour-dressed hexagon tessellations for correlation functions and non-planar corrections

NASA Astrophysics Data System (ADS)

Eden, Burkhard; Jiang, Yunfeng; le Plat, Dennis; Sfondrini, Alessandro

2018-02-01

We continue the study of four-point correlation functions by the hexagon tessellation approach initiated in [38] and [39]. We consider planar tree-level correlation functions in N=4 supersymmetric Yang-Mills theory involving two non-protected operators. We find that, in order to reproduce the field theory result, it is necessary to include SU( N) colour factors in the hexagon formalism; moreover, we find that the hexagon approach as it stands is naturally tailored to the single-trace part of correlation functions, and does not account for multi-trace admixtures. We discuss how to compute correlators involving double-trace operators, as well as more general 1 /N effects; in particular we compute the whole next-to-leading order in the large- N expansion of tree-level BMN two-point functions by tessellating a torus with punctures. Finally, we turn to the issue of "wrapping", Lüscher-like corrections. We show that SU( N) colour-dressing reproduces an earlier empirical rule for incorporating single-magnon wrapping, and we provide a direct interpretation of such wrapping processes in terms of N=2 supersymmetric Feynman diagrams.

Movement of feeder-using songbirds: the influence of urban features.

PubMed

Cox, Daniel T C; Inger, Richard; Hancock, Steven; Anderson, Karen; Gaston, Kevin J

2016-11-23

Private gardens provide vital opportunities for people to interact with nature. The most popular form of interaction is through garden bird feeding. Understanding how landscape features and seasons determine patterns of movement of feeder-using songbirds is key to maximising the well-being benefits they provide. To determine these patterns we established three networks of automated data loggers along a gradient of greenspace fragmentation. Over a 12-month period we tracked 452 tagged blue tits Cyantistes caeruleus and great tits Parus major moving between feeder pairs 9,848 times, to address two questions: (i) Do urban features within different forms, and season, influence structural (presence-absence of connections between feeders by birds) and functional (frequency of these connections) connectivity? (ii) Are there general patterns of structural and functional connectivity across forms? Vegetation cover increased connectivity in all three networks, whereas the presence of road gaps negatively affected functional but not structural connectivity. Across networks structural connectivity was lowest in the summer when birds maintain breeding territories, however patterns of functional connectivity appeared to vary with habitat fragmentation. Using empirical data this study shows how key urban features and season influence movement of feeder-using songbirds, and we provide evidence that this is related to greenspace fragmentation.

4D Hyperspherical Harmonic (HyperSPHARM) Representation of Multiple Disconnected Brain Subcortical Structures

PubMed Central

Hosseinbor, A. Pasha; Chung, Moo K.; Schaefer, Stacey M.; van Reekum, Carien M.; Peschke-Schmitz, Lara; Sutterer, Matt; Alexander, Andrew L.; Davidson, Richard J.

2014-01-01

We present a novel surface parameterization technique using hyperspherical harmonics (HSH) in representing compact, multiple, disconnected brain subcortical structures as a single analytic function. The proposed hyperspherical harmonic representation (HyperSPHARM) has many advantages over the widely used spherical harmonic (SPHARM) parameterization technique. SPHARM requires flattening 3D surfaces to 3D sphere which can be time consuming for large surface meshes, and can’t represent multiple disconnected objects with single parameterization. On the other hand, HyperSPHARM treats 3D object, via simple stereographic projection, as a surface of 4D hypersphere with extremely large radius, hence avoiding the computationally demanding flattening process. HyperSPHARM is shown to achieve a better reconstruction with only 5 basis compared to SPHARM that requires more than 441. PMID:24505716

Symmetries of hyper-Kähler (or Poisson gauge field) hierarchy

NASA Astrophysics Data System (ADS)

Takasaki, K.

1990-08-01

Symmetry properties of the space of complex (or formal) hyper-Kähler metrics are studied in the language of hyper-Kähler hierarchies. The construction of finite symmetries is analogous to the theory of Riemann-Hilbert transformations, loop group elements now taking values in a (pseudo-) group of canonical transformations of a simplectic manifold. In spite of their highly nonlinear and involved nature, infinitesimal expressions of these symmetries are shown to have a rather simple form. These infinitesimal transformations are extended to the Plebanski key functions to give rise to a nonlinear realization of a Poisson loop algebra. The Poisson algebra structure turns out to originate in a contact structure behind a set of symplectic structures inherent in the hyper-Kähler hierarchy. Possible relations to membrane theory are briefly discussed.

Torsional Angle Driver (TorAD) System for HyperChem/Excel

NASA Astrophysics Data System (ADS)

Starkey, Ronald

1999-02-01

The torsional angle driver system for HyperChem/Excel is a package of several Excel spreadsheets and macro programs to be used with HyperChem to obtain and plot information, such as total energy, for the conformations that result from a 360° rotation about a torsional angle system in a molecule. The TorAD system also includes several HyperChem scripts to facilitate its use. TorAD was developed for use in the undergraduate organic chemistry laboratory. The results obtained with TorAD could be obtained manually with HyperChem, but it would take considerable time and would not be instructive to the students. Use of the TorAD system allows students to spend their time on the more important aspect of conformation analysisinterpretation of results. The Excel spreadsheet/macro programs in TorAD include:

· Tor_xl_a and tor_xl obtain and plot the total energy at 5° torsional-angle intervals. The calculation method, the torsional-angle restraint, and the structure to be used at each angle can be set by the user. The advanced version, tor_xl_a, which requires HyperChem 4.5 or later, also allows torsional-angle structures to be saved for later recall as individual structures or, using a HyperChem script, in a movie format. It also provides a rapid scan of the 360° rotation where only single-point calculations, rather than geometry optimizations, are performed. The tor_xl system will perform routine tasks in a manner suitable for most instructional settings. · Tor_Comp performs molecular mechanics optimizations at 5° intervals and obtains and plots four energy parameters (total, torsional, nonbonded, and bond [bend plus stretch] energy) as a function of torsional angle. The calculation method and the restraint can be specified. · TorDipol produces a plot of the total energy and the calculated dipole moment at 5° steps of the torsional angle. The default calculation is the semi-empirical AM1 method, but other methods can be used. The calculation method and the restraint can be specified. · Tor2_180 and Tor2_360 rotate two torsional angles to provide a 3D plot of the resulting total energy surface. Tor2_180 performs a 0 to 180° rotation, in 10° steps, on each of the two torsional angle systems (tor1 and tor2) selected. Tor2_360 will do a -180° to +180° (360° total) rotation of the two torsional angles in 20° steps.

Berry composition and climate: responses and empirical models.

PubMed

Barnuud, Nyamdorj N; Zerihun, Ayalsew; Gibberd, Mark; Bates, Bryson

2014-08-01

Climate is a strong modulator of berry composition. Accordingly, the projected change in climate is expected to impact on the composition of berries and of the resultant wines. However, the direction and extent of climate change impact on fruit composition of winegrape cultivars are not fully known. This study utilised a climate gradient along a 700 km transect, covering all wine regions of Western Australia, to explore and empirically describe influences of climate on anthocyanins, pH and titratable acidity (TA) levels in two or three cultivars of Vitis vinifera (Cabernet Sauvignon, Chardonnay and Shiraz). The results showed that, at a common maturity of 22° Brix total soluble solids, berries from the warmer regions had low levels of anthocyanins and TA as well as high pH compared to berries from the cooler regions. Most of these regional variations in berry composition reflected the prevailing climatic conditions of the regions. Thus, depending on cultivar, 82-87 % of TA, 83 % of anthocyanins and about half of the pH variations across the gradient were explained by climate-variable-based empirical models. Some of the variables that were relevant in describing the variations in berry attributes included: diurnal ranges and ripening period temperature (TA), vapour pressure deficit in October and growing degree days (pH), and ripening period temperatures (anthocyanins). Further, the rates of change in these berry attributes in response to climate variables were cultivar dependent. Based on the observed patterns along the climate gradient, it is concluded that: (1) in a warming climate, all other things being equal, berry anthocyanins and TA levels will decline whereas pH levels will rise; and (2) despite variations in non-climatic factors (e.g. soil type and management) along the sampling transect, variations in TA and anthocyanins were satisfactorily described using climate-variable-based empirical models, indicating the overriding impact of climate on berry composition. The models presented here are useful tools for assessing likely changes in berry TA and anthocyanins in response to changing climate for the wine regions and cultivars covered in this study.

Berry composition and climate: responses and empirical models

NASA Astrophysics Data System (ADS)

Barnuud, Nyamdorj N.; Zerihun, Ayalsew; Gibberd, Mark; Bates, Bryson

2014-08-01

Climate is a strong modulator of berry composition. Accordingly, the projected change in climate is expected to impact on the composition of berries and of the resultant wines. However, the direction and extent of climate change impact on fruit composition of winegrape cultivars are not fully known. This study utilised a climate gradient along a 700 km transect, covering all wine regions of Western Australia, to explore and empirically describe influences of climate on anthocyanins, pH and titratable acidity (TA) levels in two or three cultivars of Vitis vinifera (Cabernet Sauvignon, Chardonnay and Shiraz). The results showed that, at a common maturity of 22° Brix total soluble solids, berries from the warmer regions had low levels of anthocyanins and TA as well as high pH compared to berries from the cooler regions. Most of these regional variations in berry composition reflected the prevailing climatic conditions of the regions. Thus, depending on cultivar, 82-87 % of TA, 83 % of anthocyanins and about half of the pH variations across the gradient were explained by climate-variable-based empirical models. Some of the variables that were relevant in describing the variations in berry attributes included: diurnal ranges and ripening period temperature (TA), vapour pressure deficit in October and growing degree days (pH), and ripening period temperatures (anthocyanins). Further, the rates of change in these berry attributes in response to climate variables were cultivar dependent. Based on the observed patterns along the climate gradient, it is concluded that: (1) in a warming climate, all other things being equal, berry anthocyanins and TA levels will decline whereas pH levels will rise; and (2) despite variations in non-climatic factors (e.g. soil type and management) along the sampling transect, variations in TA and anthocyanins were satisfactorily described using climate-variable-based empirical models, indicating the overriding impact of climate on berry composition. The models presented here are useful tools for assessing likely changes in berry TA and anthocyanins in response to changing climate for the wine regions and cultivars covered in this study.

Correction of Gradient Nonlinearity Bias in Quantitative Diffusion Parameters of Renal Tissue with Intra Voxel Incoherent Motion.

PubMed

Malyarenko, Dariya I; Pang, Yuxi; Senegas, Julien; Ivancevic, Marko K; Ross, Brian D; Chenevert, Thomas L

2015-12-01

Spatially non-uniform diffusion weighting bias due to gradient nonlinearity (GNL) causes substantial errors in apparent diffusion coefficient (ADC) maps for anatomical regions imaged distant from magnet isocenter. Our previously-described approach allowed effective removal of spatial ADC bias from three orthogonal DWI measurements for mono-exponential media of arbitrary anisotropy. The present work evaluates correction feasibility and performance for quantitative diffusion parameters of the two-component IVIM model for well-perfused and nearly isotropic renal tissue. Sagittal kidney DWI scans of a volunteer were performed on a clinical 3T MRI scanner near isocenter and offset superiorly. Spatially non-uniform diffusion weighting due to GNL resulted both in shift and broadening of perfusion-suppressed ADC histograms for off-center DWI relative to unbiased measurements close to isocenter. Direction-average DW-bias correctors were computed based on the known gradient design provided by vendor. The computed bias maps were empirically confirmed by coronal DWI measurements for an isotropic gel-flood phantom. Both phantom and renal tissue ADC bias for off-center measurements was effectively removed by applying pre-computed 3D correction maps. Comparable ADC accuracy was achieved for corrections of both b -maps and DWI intensities in presence of IVIM perfusion. No significant bias impact was observed for IVIM perfusion fraction.

Correction of Gradient Nonlinearity Bias in Quantitative Diffusion Parameters of Renal Tissue with Intra Voxel Incoherent Motion

PubMed Central

Malyarenko, Dariya I.; Pang, Yuxi; Senegas, Julien; Ivancevic, Marko K.; Ross, Brian D.; Chenevert, Thomas L.

2015-01-01

Spatially non-uniform diffusion weighting bias due to gradient nonlinearity (GNL) causes substantial errors in apparent diffusion coefficient (ADC) maps for anatomical regions imaged distant from magnet isocenter. Our previously-described approach allowed effective removal of spatial ADC bias from three orthogonal DWI measurements for mono-exponential media of arbitrary anisotropy. The present work evaluates correction feasibility and performance for quantitative diffusion parameters of the two-component IVIM model for well-perfused and nearly isotropic renal tissue. Sagittal kidney DWI scans of a volunteer were performed on a clinical 3T MRI scanner near isocenter and offset superiorly. Spatially non-uniform diffusion weighting due to GNL resulted both in shift and broadening of perfusion-suppressed ADC histograms for off-center DWI relative to unbiased measurements close to isocenter. Direction-average DW-bias correctors were computed based on the known gradient design provided by vendor. The computed bias maps were empirically confirmed by coronal DWI measurements for an isotropic gel-flood phantom. Both phantom and renal tissue ADC bias for off-center measurements was effectively removed by applying pre-computed 3D correction maps. Comparable ADC accuracy was achieved for corrections of both b-maps and DWI intensities in presence of IVIM perfusion. No significant bias impact was observed for IVIM perfusion fraction. PMID:26811845

String unification scale and the hyper-charge Kac-Moody level in the non-supersymmetric standard model

NASA Astrophysics Data System (ADS)

Cho, Gi-Chol; Hagiwara, Kaoru

1998-02-01

The string theory predicts the unification of the gauge couplings and gravity. The minimal supersymmetric Standard Model, however, gives the unification scale ~2x1016 GeV which is significantly smaller than the string scale ~5x1017 GeV of the weak coupling heterotic string theory. We study the unification scale of the non-supersymmetric minimal Standard Model quantitatively at the two-loop level. We find that the unification scale should be at most ~4x1016 GeV and the desired Kac-Moody level of the hyper-charge coupling should be 1.33<~kY<~1.35.

Optimization in Quaternion Dynamic Systems: Gradient, Hessian, and Learning Algorithms.

PubMed

Xu, Dongpo; Xia, Yili; Mandic, Danilo P

2016-02-01

The optimization of real scalar functions of quaternion variables, such as the mean square error or array output power, underpins many practical applications. Solutions typically require the calculation of the gradient and Hessian. However, real functions of quaternion variables are essentially nonanalytic, which are prohibitive to the development of quaternion-valued learning systems. To address this issue, we propose new definitions of quaternion gradient and Hessian, based on the novel generalized Hamilton-real (GHR) calculus, thus making a possible efficient derivation of general optimization algorithms directly in the quaternion field, rather than using the isomorphism with the real domain, as is current practice. In addition, unlike the existing quaternion gradients, the GHR calculus allows for the product and chain rule, and for a one-to-one correspondence of the novel quaternion gradient and Hessian with their real counterparts. Properties of the quaternion gradient and Hessian relevant to numerical applications are also introduced, opening a new avenue of research in quaternion optimization and greatly simplified the derivations of learning algorithms. The proposed GHR calculus is shown to yield the same generic algorithm forms as the corresponding real- and complex-valued algorithms. Advantages of the proposed framework are illuminated over illustrative simulations in quaternion signal processing and neural networks.

Non-stoichiometry in U 3Si 2

DOE PAGES

Middleburgh, Simon C.; Grimes, Robin W.; Lahoda, Ed J.; ...

2016-10-08

Uranium silicides, in particular U 3Si 2, are being explored as an advanced nuclear fuel with increased accident tolerance as well as competitive economics compared to the baseline UO 2 fuel. Here we use density functional theory calculations and thermochemical analysis to assess the stability of U 3Si 2 with respect to non-stoichiometry reactions in both the hypo- and hyper-stoichiometric regimes. We find that the degree of non-stoichiometry in U 3Si 2 is much smaller than in UO 2 and at most reaches a few percent at high temperature. Non-stoichiometry impacts fuel performance by determining whether the loss of uraniummore » due to fission leads to a non-stoichiometric U 3Si 2±x phase or precipitation of a second U-Si phase. Lastly, we also investigate the U 5Si 4 phase as a candidate for the equilibrium phase diagram.« less

Hyper-spectral image segmentation using spectral clustering with covariance descriptors

NASA Astrophysics Data System (ADS)

Kursun, Olcay; Karabiber, Fethullah; Koc, Cemalettin; Bal, Abdullah

2009-02-01

Image segmentation is an important and difficult computer vision problem. Hyper-spectral images pose even more difficulty due to their high-dimensionality. Spectral clustering (SC) is a recently popular clustering/segmentation algorithm. In general, SC lifts the data to a high dimensional space, also known as the kernel trick, then derive eigenvectors in this new space, and finally using these new dimensions partition the data into clusters. We demonstrate that SC works efficiently when combined with covariance descriptors that can be used to assess pixelwise similarities rather than in the high-dimensional Euclidean space. We present the formulations and some preliminary results of the proposed hybrid image segmentation method for hyper-spectral images.

Dependence of trapped-flux-induced surface resistance of a large-grain Nb superconducting radio-frequency cavity on spatial temperature gradient during cooldown through T c

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

Huang, Shichun; Kubo, Takayuki; Geng, R. L.

Recent studies by Romanenko et al. revealed that cooling down a superconducting cavity under a large spatial temperature gradient decreases the amount of trapped flux and leads to reduction of the residual surface resistance. In the present paper, the flux expulsion ratio and the trapped-flux-induced surface resistance of a large-grain cavity cooled down under a spatial temperature gradient up to 80K/m are studied under various applied magnetic fields from 5E-6 T to 2E-5 T. We show the flux expulsion ratio improves as the spatial temperature gradient increases, independent of the applied magnetic field: our results supports and enforces the previousmore » studies. We then analyze all RF measurement results obtained under different applied magnetic fields together by plotting the trapped- flux-induced surface resistance normalized by the applied magnetic field as a function of the spatial temperature gradient. All the data can be fitted by a single curve, which defines an empirical formula for the trapped- flux-induced surface resistance as a function of the spatial temperature gradient and applied magnetic field. The formula can fit not only the present results but also those obtained by Romanenko et al. previously. Furthermore, the sensitivity r fl of surface resistance from trapped magnetic flux of fine-grain and large-grain niobium cavities and the origin of dT/ds dependence of R fl/B a are also discussed.« less

Dependence of trapped-flux-induced surface resistance of a large-grain Nb superconducting radio-frequency cavity on spatial temperature gradient during cooldown through T c

DOE PAGES

Huang, Shichun; Kubo, Takayuki; Geng, R. L.

2016-08-26

Recent studies by Romanenko et al. revealed that cooling down a superconducting cavity under a large spatial temperature gradient decreases the amount of trapped flux and leads to reduction of the residual surface resistance. In the present paper, the flux expulsion ratio and the trapped-flux-induced surface resistance of a large-grain cavity cooled down under a spatial temperature gradient up to 80K/m are studied under various applied magnetic fields from 5E-6 T to 2E-5 T. We show the flux expulsion ratio improves as the spatial temperature gradient increases, independent of the applied magnetic field: our results supports and enforces the previousmore » studies. We then analyze all RF measurement results obtained under different applied magnetic fields together by plotting the trapped- flux-induced surface resistance normalized by the applied magnetic field as a function of the spatial temperature gradient. All the data can be fitted by a single curve, which defines an empirical formula for the trapped- flux-induced surface resistance as a function of the spatial temperature gradient and applied magnetic field. The formula can fit not only the present results but also those obtained by Romanenko et al. previously. Furthermore, the sensitivity r fl of surface resistance from trapped magnetic flux of fine-grain and large-grain niobium cavities and the origin of dT/ds dependence of R fl/B a are also discussed.« less

Unique hyper-thermal composting process in Kagoshima City forms distinct bacterial community structures.

PubMed

Tashiro, Yukihiro; Tabata, Hanae; Itahara, Asuka; Shimizu, Natsuki; Tashiro, Kosuke; Sakai, Kenji

2016-11-01

A unique compost, Satsuma soil, is produced from three types of wastewater sludge using hyper-thermal processes at temperatures much higher than that of general thermophilic processes in Kagoshima City, Japan. We analyzed the bacterial community structures of this hyper-thermal compost sample and other sludges and composts by a high-throughput barcoded pyrosequencing method targeting the 16S rRNA gene. In total, 621,076 reads were derived from 17 samples and filtered. Artificial sequences were deleted and the reads were clustered based on the operational taxonomic units (OTUs) at 97% similarity. Phylum-level analysis of the hyper-thermal compost revealed drastic changes of the sludge structures (each relative abundance) from Firmicutes (average 47.8%), Proteobacteria (average 22.3%), and Bacteroidetes (average 10.1%) to two main phyla including Firmicutes (73.6%) and Actinobacteria (25.0%) with less Proteobacteria (∼0.3%) and Bacteroidetes (∼0.1%). Furthermore, we determined the predominant species (each relative abundance) of the hyper-thermal compost including Firmicutes related to Staphylococcus cohnii (13.8%), Jeotgalicoccus coquinae (8.01%), and Staphylococcus lentus (5.96%), and Actinobacteria related to Corynebacterium stationis (6.41%), and found that these species were not predominant in wastewater sludge. In contrast, we did not observe any common structures among eight other composts produced, using the hyper-thermal composts as the inoculums, under thermophilic conditions from different materials. Principle coordinate analysis of the hyper-thermal compost indicated a large difference in bacterial community structures from material sludge and other composts. These results suggested that a distinct bacterial community structure was formed by hyper-thermal composting. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Development of hyper osmotic resistant CHO host cells for enhanced antibody production.

PubMed

Kamachi, Yasuharu; Omasa, Takeshi

2018-04-01

Cell culture platform processes are generally employed to shorten the duration of new product development. A fed-batch process with continuous feeding is a conventional platform process for monoclonal antibody production using Chinese hamster ovary (CHO) cells. To establish a simplified platform process, the feeding method can be changed from continuous feed to bolus feed. However, this change induces a rapid increase of osmolality by the bolus addition of nutrients. The increased osmolality suppresses cell culture growth, and the final product concentration is decreased. In this study, osmotic resistant CHO host cells were developed to attain a high product concentration. To establish hyper osmotic resistant CHO host cells, CHO-S host cells were passaged long-term in a hyper osmotic basal medium. There were marked differences in cell growth of the original and established host cells under iso- (328 mOsm/kg) or hyper-osmolality (over 450 mOsm/kg) conditions. Cell growth of the original CHO host cells was markedly decreased by the induction of osmotic stress, whereas cell growth of the hyper osmotic resistant CHO host cells was not affected. The maximum viable cell concentration of hyper osmotic resistant CHO host cells was 132% of CHO-S host cells after the induction of osmotic stress. Moreover, the hyper osmotic resistant characteristic of established CHO host cells was maintained even after seven passages in iso-osmolality basal medium. The use of hyper osmotic resistance CHO host cells to create a monoclonal antibody production cell line might be a new approach to increase final antibody concentrations with a fed-batch process. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Role of glutathione in lung retention of 99mTc-hexamethylpropyleneamine oxime in two unique rat models of hyperoxic lung injury

PubMed Central

Roerig, David L.; Haworth, Steven T.; Clough, Anne V.

2012-01-01

Rat exposure to 60% oxygen (O2) for 7 days (hyper-60) or to >95% O2 for 2 days followed by 24 h in room air (hyper-95R) confers susceptibility or tolerance, respectively, of the otherwise lethal effects of subsequent exposure to 100% O2. The objective of this study was to determine if lung retention of the radiopharmaceutical agent technetium-labeled-hexamethylpropyleneamine oxime (HMPAO) is differentially altered in hyper-60 and hyper-95R rats. Tissue retention of HMPAO is dependent on intracellular content of the antioxidant GSH and mitochondrial function. HMPAO was injected intravenously in anesthetized rats, and planar images were acquired. We investigated the role of GSH in the lung retention of HMPAO by pretreating rats with the GSH-depleting agent diethyl maleate (DEM) prior to imaging. We also measured GSH content and activities of mitochondrial complexes I and IV in lung homogenate. The lung retention of HMPAO increased by ∼50% and ∼250% in hyper-60 and hyper-95R rats, respectively, compared with retention in rats exposed to room air (normoxic). DEM decreased retention in normoxic (∼26%) and hyper-95R (∼56%) rats compared with retention in the absence of DEM. GSH content increased by 19% and 40% in hyper-60 and hyper-95R lung homogenate compared with normoxic lung homogenate. Complex I activity decreased by ∼50% in hyper-60 and hyper-95R lung homogenate compared with activity in normoxic lung homogenate. However, complex IV activity was increased by 32% in hyper-95R lung homogenate only. Furthermore, we identified correlations between the GSH content in lung homogenate and the DEM-sensitive fraction of HMPAO retention and between the complex IV/complex I activity ratio and the DEM-insensitive fraction of HMPAO retention. These results suggest that an increase in the GSH-dependent component of the lung retention of HMPAO may be a marker of tolerance to sustained exposure to hyperoxia. PMID:22628374

Role of glutathione in lung retention of 99mTc-hexamethylpropyleneamine oxime in two unique rat models of hyperoxic lung injury.

PubMed

Audi, Said H; Roerig, David L; Haworth, Steven T; Clough, Anne V

2012-08-15

Rat exposure to 60% oxygen (O(2)) for 7 days (hyper-60) or to >95% O(2) for 2 days followed by 24 h in room air (hyper-95R) confers susceptibility or tolerance, respectively, of the otherwise lethal effects of subsequent exposure to 100% O(2). The objective of this study was to determine if lung retention of the radiopharmaceutical agent technetium-labeled-hexamethylpropyleneamine oxime (HMPAO) is differentially altered in hyper-60 and hyper-95R rats. Tissue retention of HMPAO is dependent on intracellular content of the antioxidant GSH and mitochondrial function. HMPAO was injected intravenously in anesthetized rats, and planar images were acquired. We investigated the role of GSH in the lung retention of HMPAO by pretreating rats with the GSH-depleting agent diethyl maleate (DEM) prior to imaging. We also measured GSH content and activities of mitochondrial complexes I and IV in lung homogenate. The lung retention of HMPAO increased by ≈ 50% and ≈ 250% in hyper-60 and hyper-95R rats, respectively, compared with retention in rats exposed to room air (normoxic). DEM decreased retention in normoxic (≈ 26%) and hyper-95R (≈ 56%) rats compared with retention in the absence of DEM. GSH content increased by 19% and 40% in hyper-60 and hyper-95R lung homogenate compared with normoxic lung homogenate. Complex I activity decreased by ≈ 50% in hyper-60 and hyper-95R lung homogenate compared with activity in normoxic lung homogenate. However, complex IV activity was increased by 32% in hyper-95R lung homogenate only. Furthermore, we identified correlations between the GSH content in lung homogenate and the DEM-sensitive fraction of HMPAO retention and between the complex IV/complex I activity ratio and the DEM-insensitive fraction of HMPAO retention. These results suggest that an increase in the GSH-dependent component of the lung retention of HMPAO may be a marker of tolerance to sustained exposure to hyperoxia.

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole.

PubMed

Patra, Bikash; Jana, Subrata; Samal, Prasanjit

2018-03-28

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range corrected density functional proposed here combines the meta generalized gradient approximation level exchange functional designed from the density matrix expansion based exchange hole coupled with the ab initio Hartree-Fock exchange through the range separation of the Coulomb interaction operator using the standard error function technique. Then, in association with the Lee-Yang-Parr correlation functional, the assessment and benchmarking of the above newly constructed range-separated functional with various well-known test sets shows its reasonable performance for a broad range of molecular properties, such as thermochemistry, non-covalent interaction and barrier heights of the chemical reactions.

A unified wall function for compressible turbulence modelling

NASA Astrophysics Data System (ADS)

Ong, K. C.; Chan, A.

2018-05-01

Turbulence modelling near the wall often requires a high mesh density clustered around the wall and the first cells adjacent to the wall to be placed in the viscous sublayer. As a result, the numerical stability is constrained by the smallest cell size and hence requires high computational overhead. In the present study, a unified wall function is developed which is valid for viscous sublayer, buffer sublayer and inertial sublayer, as well as including effects of compressibility, heat transfer and pressure gradient. The resulting wall function applies to compressible turbulence modelling for both isothermal and adiabatic wall boundary conditions with the non-zero pressure gradient. Two simple wall function algorithms are implemented for practical computation of isothermal and adiabatic wall boundary conditions. The numerical results show that the wall function evaluates the wall shear stress and turbulent quantities of wall adjacent cells at wide range of non-dimensional wall distance and alleviate the number and size of cells required.

Gedanken densities and exact constraints in density functional theory.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Sun, Jianwei; Burke, Kieron

2014-05-14

Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.

A biconjugate gradient type algorithm on massively parallel architectures

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Hochbruck, Marlis

1991-01-01

The biconjugate gradient (BCG) method is the natural generalization of the classical conjugate gradient algorithm for Hermitian positive definite matrices to general non-Hermitian linear systems. Unfortunately, the original BCG algorithm is susceptible to possible breakdowns and numerical instabilities. Recently, Freund and Nachtigal have proposed a novel BCG type approach, the quasi-minimal residual method (QMR), which overcomes the problems of BCG. Here, an implementation is presented of QMR based on an s-step version of the nonsymmetric look-ahead Lanczos algorithm. The main feature of the s-step Lanczos algorithm is that, in general, all inner products, except for one, can be computed in parallel at the end of each block; this is unlike the other standard Lanczos process where inner products are generated sequentially. The resulting implementation of QMR is particularly attractive on massively parallel SIMD architectures, such as the Connection Machine.

Difference in airflow obstruction between Hispanic and non-Hispanic White female smokers.

PubMed

Sood, Akshay; Stidley, Christine A; Picchi, Maria A; Celedón, Juan C; Gilliland, Frank; Crowell, Richard E; Belinsky, Steven A; Tesfaigzi, Yohannes

2008-10-01

Smoking-related respiratory diseases are a major cause of morbidity and mortality. However, the relationship between smoking and respiratory disease has not been well-studied among ethnic minorities in general and among women in particular. The objective of this cross-sectional study was to evaluate the risk of airflow obstruction and to assess lung function among Hispanic and non-Hispanic White (NHW) female smokers in a New Mexico cohort. Participants completed a questionnaire detailing smoking history and underwent spirometry testing. Outcomes studied included airflow obstruction, selected lung function parameters, and chronic mucus hyper-secretion. Chi square, logistic, and linear regression techniques were utilized. Of the 1,433 eligible women participants, 248 (17.3%) were Hispanic; and 319 had airflow obstruction (22.3%). Hispanic smokers were more likely to be current smokers, and report lower pack-years of smoking, compared to NHW smokers (p < 0.05 for all analyses). Further, Hispanic smokers were at a reduced risk of airflow obstruction compared to NHW smokers, with an O.R. of 0.51, 95% C.I. 0.34, 0.78 (p = 0.002) after adjustment for age, BMI, pack-years and duration of smoking, and current smoking status. Following adjustment for covariates, Hispanic smokers also had a higher mean absolute and percent predicted post-bronchodilator FEV(1)/FVC ratio, as well as higher mean percent predicted FEV(1) (p < 0.05 for all analyses). Hispanic female smokers in this New Mexico-based cohort had lower risk of airflow obstruction and better lung function than NHW female smokers. Further, smoking history did not completely explain these associations.

Ab-initio investigation of Rb substitution in KTP single crystal

NASA Astrophysics Data System (ADS)

Ghoohestani, Marzieh; Arab, Ali; Hashemifar, S. Javad; Sadeghi, Hossein

2018-01-01

The effects of rubidium doping on the structural, electronic, and optical properties of KTiOPO4 (KTP) are investigated in the framework of density functional theory. The equilibrium structural parameters of KTP and RbTiOPO4 (RTP) are calculated within the local density and Perdew-Burke-Ernzerhof (PBE), Wu-Cohen, and PBEsol formulation of generalized gradient approximations. We discuss that PBEsol predicts better equilibrium parameters for the KTP alloy. In addition, the variation of lattice constants and Ti-O-Ti bond angles are evaluated as a function of rubidium concentration. The modern modified Becke-Johnson functional is applied for more accurate band gap determination in the pure and alloyed KTP/RTP compounds. The phenomenological pseudoinversion parameter is calculated for a qualitative understanding of the effect of impurity on a non-linear optical response of KTP. We also analyze the behavior of the dielectric function, dispersive refractive indices, and birefringence of KTP/RTP alloys.

Effects of thyroid hormones on the antioxidative status in the uterus of young adult rats

PubMed Central

KONG, Lingfa; WEI, Quanwei; FEDAIL, Jaafar Sulieman; SHI, Fangxiong; NAGAOKA, Kentaro; WATANABE, Gen

2015-01-01

Thyroid hormones and oxidative stress play significant roles in the normal functioning of the female reproductive system. Nitric oxide (NO), a free radical synthesized by nitric oxide synthases (NOS), participates in the regulation of thyroid function and is also a good biomarker for assessment of the oxidative stress status. Therefore, the purpose of this study was to investigate effects of thyroid hormones on uterine antioxidative status in young adult rats. Thirty immature female Sprague-Dawley rats were randomly divided into three groups: control, hypothyroid (hypo-T) and hyperthyroid (hyper-T). The results showed the body weights decreased significantly in both the hypo-T and hyper-T groups and that uterine weights were decreased significantly in the hypo-T group. The serum concentrations of total triiodothyronine (T3) and thyroxine (T4), as well as estradiol (E2), were significantly decreased in the hypo-T group, but increased in the hyper-T group. The progesterone (P4) concentrations in the hypo- and hyperthyroid rats markedly decreased. Immunohistochemistry results provided evidence that thyroid hormone nuclear receptor α/β (TRα/β) and three NOS isoforms were located in different cell types of rat uteri. The NO content and total NOS and inducible NOS (iNOS) activities were markedly diminished in the hypo-T group but increased in the hyper-T group. Moreover, the activities of both glutathione peroxidase (GSH-Px) and catalase (CAT) exhibited significant decreases and increases in the hypo-T and hyper-T groups, respectively. The malondialdehyde (MDA) contents in both the hypo-T and hyper-T groups showed a significant increase. Total superoxide dismutase (T-SOD) activity in the hypo- and hyper-T rats markedly decreased. In conclusion, these results indicated that thyroid hormones have an important influence on the modulation of uterine antioxidative status. PMID:25797533

Applying additive modeling and gradient boosting to assess the effects of watershed and reach characteristics on riverine assemblages

USGS Publications Warehouse

Maloney, Kelly O.; Schmid, Matthias; Weller, Donald E.

2012-01-01

Issues with ecological data (e.g. non-normality of errors, nonlinear relationships and autocorrelation of variables) and modelling (e.g. overfitting, variable selection and prediction) complicate regression analyses in ecology. Flexible models, such as generalized additive models (GAMs), can address data issues, and machine learning techniques (e.g. gradient boosting) can help resolve modelling issues. Gradient boosted GAMs do both. Here, we illustrate the advantages of this technique using data on benthic macroinvertebrates and fish from 1573 small streams in Maryland, USA.

Modifying optical properties of reduced/graphene oxide with controlled ozone and thermal treatment in aqueous suspensions.

PubMed

Hasan, Md Tanvir; Senger, Brian J; Mulford, Price; Ryan, Conor; Doan, Hung; Gryczynski, Zygmunt; Naumov, Anton V

2017-02-10

Graphene possesses a number of advantageous properties, however, does not exhibit optical emission, which limits its use in optoelectronics. Unlike graphene, its functional derivative, graphene oxide (GO) exhibits fluorescence emission throughout the visible. Here, we focus on controlled methods for tuning the optical properties of GO. We introduce ozone treatment of reduced graphene oxide (RGO) in order to controllably transform it from non-emissive graphene-like material into GO with a specific fluorescence emission response. Solution-based treatment of RGO for 5-45 min with ∼1.2 g l -1 ozone/oxygen gas mixture yields a drastic color change, bleaching of the absorption in the visible and the stepwise increase in fluorescence intensity and lifetime. This is attributed to the introduction of oxygen-containing functional groups to RGO graphitic platform as detected by the infrared spectroscopy. A reverse process: controllable quenching of this fluorescence is achieved by the thermal treatment of GO in aqueous suspension up to 90 °C. This methodology allows for the wide range alteration of GO optical properties starting from the dark-colored non-emissive RGO material up to nearly transparent highly ozone-oxidized GO showing substantial fluorescence emission. The size of the GO flakes is concomitantly altered by oxidation-induced scission. Semi-empirical PM3 theoretical calculations on HyperChem models are utilized to explore the origins of optical response from GO. Two models are considered, attributing the induced emission either to the localized states produced by oxygen-containing addends or the islands of graphitic carbon enclosed by such addends. Band gap values calculated from the models are in the agreement with experimentally observed transition peak maxima. The controllable variation of GO optical properties in aqueous suspension by ozone and thermal treatments shown in this work provides a route to tune its optical response for particular optoelectronics or biomedical applications.

Modifying optical properties of reduced/graphene oxide with controlled ozone and thermal treatment in aqueous suspensions

NASA Astrophysics Data System (ADS)

Tanvir Hasan, Md; Senger, Brian J.; Mulford, Price; Ryan, Conor; Doan, Hung; Gryczynski, Zygmunt; Naumov, Anton V.

2017-02-01

Graphene possesses a number of advantageous properties, however, does not exhibit optical emission, which limits its use in optoelectronics. Unlike graphene, its functional derivative, graphene oxide (GO) exhibits fluorescence emission throughout the visible. Here, we focus on controlled methods for tuning the optical properties of GO. We introduce ozone treatment of reduced graphene oxide (RGO) in order to controllably transform it from non-emissive graphene-like material into GO with a specific fluorescence emission response. Solution-based treatment of RGO for 5-45 min with ˜1.2 g l-1 ozone/oxygen gas mixture yields a drastic color change, bleaching of the absorption in the visible and the stepwise increase in fluorescence intensity and lifetime. This is attributed to the introduction of oxygen-containing functional groups to RGO graphitic platform as detected by the infrared spectroscopy. A reverse process: controllable quenching of this fluorescence is achieved by the thermal treatment of GO in aqueous suspension up to 90 °C. This methodology allows for the wide range alteration of GO optical properties starting from the dark-colored non-emissive RGO material up to nearly transparent highly ozone-oxidized GO showing substantial fluorescence emission. The size of the GO flakes is concomitantly altered by oxidation-induced scission. Semi-empirical PM3 theoretical calculations on HyperChem models are utilized to explore the origins of optical response from GO. Two models are considered, attributing the induced emission either to the localized states produced by oxygen-containing addends or the islands of graphitic carbon enclosed by such addends. Band gap values calculated from the models are in the agreement with experimentally observed transition peak maxima. The controllable variation of GO optical properties in aqueous suspension by ozone and thermal treatments shown in this work provides a route to tune its optical response for particular optoelectronics or biomedical applications.

Optimization of non-linear gradient in hydrophobic interaction chromatography for the analytical characterization of antibody-drug conjugates.

PubMed

Bobály, Balázs; Randazzo, Giuseppe Marco; Rudaz, Serge; Guillarme, Davy; Fekete, Szabolcs

2017-01-20

The goal of this work was to evaluate the potential of non-linear gradients in hydrophobic interaction chromatography (HIC), to improve the separation between the different homologous species (drug-to-antibody, DAR) of commercial antibody-drug conjugates (ADC). The selectivities between Brentuximab Vedotin species were measured using three different gradient profiles, namely linear, power function based and logarithmic ones. The logarithmic gradient provides the most equidistant retention distribution for the DAR species and offers the best overall separation of cysteine linked ADC in HIC. Another important advantage of the logarithmic gradient, is its peak focusing effect for the DAR0 species, which is particularly useful to improve the quantitation limit of DAR0. Finally, the logarithmic behavior of DAR species of ADC in HIC was modelled using two different approaches, based on i) the linear solvent strength theory (LSS) and two scouting linear gradients and ii) a new derived equation and two logarithmic scouting gradients. In both cases, the retention predictions were excellent and systematically below 3% compared to the experimental values. Copyright © 2016 Elsevier B.V. All rights reserved.

Generalization of exponential based hyperelastic to hyper-viscoelastic model for investigation of mechanical behavior of rate dependent materials.

PubMed

Narooei, K; Arman, M

2018-03-01

In this research, the exponential stretched based hyperelastic strain energy was generalized to the hyper-viscoelastic model using the heredity integral of deformation history to take into account the strain rate effects on the mechanical behavior of materials. The heredity integral was approximated by the approach of Goh et al. to determine the model parameters and the same estimation was used for constitutive modeling. To present the ability of the proposed hyper-viscoelastic model, the stress-strain response of the thermoplastic elastomer gel tissue at different strain rates from 0.001 to 100/s was studied. In addition to better agreement between the current model and experimental data in comparison to the extended Mooney-Rivlin hyper-viscoelastic model, a stable material behavior was predicted for pure shear and balance biaxial deformation modes. To present the engineering application of current model, the Kolsky bars impact test of gel tissue was simulated and the effects of specimen size and inertia on the uniform deformation were investigated. As the mechanical response of polyurea was provided over wide strain rates of 0.0016-6500/s, the current model was applied to fit the experimental data. The results were shown more accuracy could be expected from the current research than the extended Ogden hyper-viscoelastic model. In the final verification example, the pig skin experimental data was used to determine parameters of the hyper-viscoelastic model. Subsequently, a specimen of pig skin at different strain rates was loaded to a fixed strain and the change of stress with time (stress relaxation) was obtained. The stress relaxation results were revealed the peak stress increases by applied strain rate until the saturated loading rate and the equilibrium stress with magnitude of 0.281MPa could be reached. Copyright © 2017 Elsevier Ltd. All rights reserved.

Non-Malignant Thyroid Diseases Following a Wide Range of Radiation Exposures

PubMed Central

Ron, Elaine; Brenner, Alina

2013-01-01

Background The thyroid gland is one of the most radiosensitive human organs. While it is well known that radiation exposure increases the risk of thyroid cancer, less is known about its effects in relation to non-malignant thyroid diseases. Objectives The aim of this review is to evaluate the effects of high and low dose radiation on benign structural and functional diseases of the thyroid. Methods We examined the results of major studies from cancer patients treated with high-dose radiotherapy or thyrotoxicosis patients treated with high doses of iodine-131, patients treated with moderate to high dose radiotherapy for benign diseases, persons exposed to low doses from environmental radiation and survivors of the atomic bombings who were exposed to a range of doses. We evaluated radiation effects on structural (tumors, nodules), functional (hyper- and hypothyroidism), and autoimmune thyroid diseases. Results Following a wide range of doses of ionizing radiation, an increased risk of thyroid adenomas and nodules was observed in a variety of populations and settings. The dose response appeared to be linear at low to moderate doses, but in one study there was some suggestion of a reduction in risk above 5 Gy. The elevated risk for benign tumors continues for decades following exposure. Considerably less consistent findings are available regarding functional thyroid diseases including autoimmune diseases. In general, associations for these outcomes were fairly weak and significant radiation effects were most often observed following high doses, particularly for hypothyroidism. Conclusions A significant radiation dose-response relation was demonstrated for benign nodules and follicular adenomas. The effects of radiation on functional thyroid diseases are less clear, partly due to the greater difficulties studying these diseases. PMID:21128812

Soil bacterial communities are shaped by temporal and environmental filtering: evidence from a long-term chronosequence.

PubMed

Freedman, Zachary; Zak, Donald R

2015-09-01

Soil microbial communities are abundant, hyper-diverse and mediate global biogeochemical cycles, but we do not yet understand the processes mediating their assembly. Current hypothetical frameworks suggest temporal (e.g. dispersal limitation) and environmental (e.g. soil pH) filters shape microbial community composition; however, there is limited empirical evidence supporting this framework in the hyper-diverse soil environment, particularly at large spatial (i.e. regional to continental) and temporal (i.e. 100 to 1000 years) scales. Here, we present evidence from a long-term chronosequence (4000 years) that temporal and environmental filters do indeed shape soil bacterial community composition. Furthermore, nearly 20 years of environmental monitoring allowed us to control for potentially confounding environmental variation. Soil bacterial communities were phylogenetically distinct across the chronosequence. We determined that temporal and environmental factors accounted for significant portions of bacterial phylogenetic structure using distance-based linear models. Environmental factors together accounted for the majority of phylogenetic structure, namely, soil temperature (19%), pH (17%) and litter carbon:nitrogen (C:N; 17%). However, of all individual factors, time since deglaciation accounted for the greatest proportion of bacterial phylogenetic structure (20%). Taken together, our results provide empirical evidence that temporal and environmental filters act together to structure soil bacterial communities across large spatial and long-term temporal scales. © 2015 Society for Applied Microbiology and John Wiley & Sons Ltd.

Mediterranean coastal dune vegetation: Are disturbance and stress the key selective forces that drive the psammophilous succession?

NASA Astrophysics Data System (ADS)

Ciccarelli, Daniela

2015-11-01

Plant communities of coastal dunes are distributed along a characteristic sea-inland gradient. Generally, there is a shift from annual and short height species with small leaves in the initial successional stages to perennial tall shrubs with tough leaves in later phases. Assessing the community-weighted mean (CWM) trait values is used in plant ecology to describe ecosystem properties especially during succession. In particular, CSR (Competitive, Stress-tolerant, and Ruderal strategy) classification allows us to explore community functional shifts in terms of disturbance, stress and competition selective forces. The functional basis of the psammophilous succession was studied based on the following questions: (1) Can we circumscribe different functional types among plant species of Mediterranean coastal dunes? (2) How do CWM trait values vary along the environmental sea-inland gradient? (3) What is the relative importance of competition, stress and disturbance in the processes of plant community assembling? (4) Can we postulate that along primary successions there is generally a shift from ruderality to stress-tolerance? An explorative analysis of functional groups was performed by Non-Metric Multidimensional Scaling (NMDS) analysing nine morpho-functional traits measured for 45 taxa from 880 dune plots localised in Tuscany (central Italy, Europe). NMDS ordination showed a scattered distribution of psammophytes that could not be delimited in precise plant functional types. The first NMDS axis has been interpreted as a leaf economics axis because it was correlated to leaf area (LA) and leaf dry matter content (LDMC), while the second one was a plant size axis because of its correlation with canopy height. Along the sea-inland gradient, pioneer plant communities of upper beach were dominated by ruderals (with the lowest values of LDMC and specific leaf area - SLA), well-adapted to the harsh environmental conditions of coastal dunes. More distant from the sea, where ecological conditions were less extreme, late-successional communities of backdunes were characterised by the prevalence of stress-tolerance. This study suggested that psammophytes have evolved not a single but multiple adaptive strategies showing a high degree of functional diversity and complexity. Moreover, CSR classification supported the hypothesis of a functional shift from R-strategists in early successional stages to S-strategists in late-successional communities along a primary succession.

Cosmological Parameters and Hyper-Parameters: The Hubble Constant from Boomerang and Maxima

NASA Astrophysics Data System (ADS)

Lahav, Ofer

Recently several studies have jointly analysed data from different cosmological probes with the motivation of estimating cosmological parameters. Here we generalise this procedure to allow freedom in the relative weights of various probes. This is done by including in the joint likelihood function a set of `Hyper-Parameters', which are dealt with using Bayesian considerations. The resulting algorithm, which assumes uniform priors on the log of the Hyper-Parameters, is very simple to implement. We illustrate the method by estimating the Hubble constant H0 from different sets of recent CMB experiments (including Saskatoon, Python V, MSAM1, TOCO, Boomerang and Maxima). The approach can be generalised for a combination of cosmic probes, and for other priors on the Hyper-Parameters. Reference: Lahav, Bridle, Hobson, Lasenby & Sodre, 2000, MNRAS, in press (astro-ph/9912105)

Gradient corrections to the exchange-correlation free energy

DOE PAGES

Sjostrom, Travis; Daligault, Jerome

2014-10-07

We develop the first-order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite-temperature density functional calculations. Based on this, we propose and implement a simple temperature-dependent extension for functionals beyond the local density approximation. These finite-temperature functionals show improvement over zero-temperature functionals, as compared to path-integral Monte Carlo calculations for deuterium equations of state, and perform without computational cost increase compared to zero-temperature functionals and so should be used for finite-temperature calculations. Furthermore, while the present functionals are valid at all temperatures including zero, non-negligible difference with zero-temperature functionals begins at temperatures abovemore » 10 000 K.« less

Discontinuous gradient differential equations and trajectories in the calculus of variations

NASA Astrophysics Data System (ADS)

Bogaevskii, I. A.

2006-12-01

The concept of gradient of smooth functions is generalized for their sums with concave functions. An existence, uniqueness, and continuous dependence theorem for increasing time is formulated and proved for solutions of an ordinary differential equation the right-hand side of which is the gradient of the sum of a concave and a smooth function. With the use of this result a physically natural motion of particles, well defined even at discontinuities of the velocity field, is constructed in the variational problem of the minimal mechanical action in a space of arbitrary dimension. For such a motion of particles in the plane all typical cases of the birth and the interaction of point clusters of positive mass are described.

Negative Refraction with Superior Transmission in Graphene-Hexagonal Boron Nitride (hBN) Multilayer Hyper Crystal

PubMed Central

Sayem, Ayed Al; Rahman, Md. Masudur; Mahdy, M. R. C.; Jahangir, Ifat; Rahman, Md. Saifur

2016-01-01

In this article, we have theoretically investigated the performance of graphene-hexagonal Boron Nitride (hBN) multilayer structure (hyper crystal) to demonstrate all angle negative refraction along with superior transmission. hBN, one of the latest natural hyperbolic materials, can be a very strong contender to form a hyper crystal with graphene due to its excellence as a graphene-compatible substrate. Although bare hBN can exhibit negative refraction, the transmission is generally low due to its high reflectivity. Whereas due to graphene’s 2D nature and metallic characteristics in the frequency range where hBN behaves as a type-I hyperbolic material, we have found graphene-hBN hyper-crystals to exhibit all angle negative refraction with superior transmission. Interestingly, superior transmission from the whole structure can be fully controlled by the tunability of graphene without hampering the negative refraction originated mainly from hBN. We have also presented an effective medium description of the hyper crystal in the low-k limit and validated the proposed theory analytically and with full wave simulations. Along with the current extensive research on hybridization of graphene plasmon polaritons with (hyperbolic) hBN phonon polaritons, this work might have some substantial impact on this field of research and can be very useful in applications such as hyper-lensing. PMID:27146561

Critical assessment of density functional theory for computing vibrational (hyper)polarizabilities

NASA Astrophysics Data System (ADS)

Zaleśny, R.; Bulik, I. W.; Mikołajczyk, M.; Bartkowiak, W.; Luis, J. M.; Kirtman, B.; Avramopoulos, A.; Papadopoulos, M. G.

2012-12-01

Despite undisputed success of the density functional theory (DFT) in various branches of chemistry and physics, an application of the DFT for reliable predictions of nonlinear optical properties of molecules has been questioned a decade ago. As it was shown by Champagne, et al. [1, 2, 3] most conventional DFT schemes were unable to qualitatively predict the response of conjugated oligomers to a static electric field. Long-range corrected (LRC) functionals, like LC-BLYP or CAM-B3LYP, have been proposed to alleviate this deficiency. The reliability of LRC functionals for evaluating molecular (hyper)polarizabilities is studied for various groups of organic systems, with a special focus on vibrational corrections to the electric properties.

Interleukin-6 (IL-6) receptor/IL-6 fusion protein (Hyper IL-6) effects on the neonatal mouse brain: possible role for IL-6 trans-signaling in brain development and functional neurobehavioral outcomes.

PubMed

Brunssen, Susan H; Moy, Sheryl S; Toews, Arrel D; McPherson, Christopher A; Harry, G Jean

2013-01-01

Adverse neurodevelopmental outcomes are linked to perinatal production of inflammatory mediators, including interleukin 6 (IL-6). While a pivotal role for maternal elevation in IL-6 has been established in determining neurobehavioral outcomes in the offspring and considered the primary target mediating the fetal inflammatory response, questions remain as to the specific actions of IL-6 on the developing brain. CD-1 male mice received a subdural injection of the bioactive fusion protein, hyper IL-6 (HIL-6) on postnatal-day (PND)4 and assessed from preweaning until adulthood. Immunohistochemical evaluation of astrocytes and microglia and mRNA levels for pro-inflammatory cytokines and host response genes indicated no evidence of an acute neuroinflammatory injury response. HIL-6 accelerated motor development and increased reactivity to stimulation and number of entries in a light/dark chamber, decreased ability to learn to withhold a response in passive avoidance, and effected deficits in social novelty behavior. No changes were observed in motor activity, pre-pulse startle inhibition, or learning and memory in the Morris water maze or radial arm maze, as have been reported for models of more severe developmental neuroinflammation. In young animals, mRNA levels for MBP and PLP/DM20 decreased and less complexity of MBP processes in the cortex was evident by immunohistochemistry. The non-hydroxy cerebroside fraction of cerebral lipids was increased. These results provide evidence for selective effects of IL-6 signaling, particularly trans-signaling, in the developing brain in the absence of a general neuroinflammatory response. These data contribute to our further understanding of the multiple aspects of IL-6 signaling in the developing brain. Published by Elsevier Inc.

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

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

Buda, I. G.; Lane, C.; Barbiellini, B.

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« less

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

DOE PAGES

Buda, I. G.; Lane, C.; Barbiellini, B.; ...

2017-03-23

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functionalmore » for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.« less

Emotional hyper-reactivity and cardiometabolic risk in remitted bipolar patients: a machine learning approach.

PubMed

Dargél, A A; Roussel, F; Volant, S; Etain, B; Grant, R; Azorin, J-M; M'Bailara, K; Bellivier, F; Bougerol, T; Kahn, J-P; Roux, P; Aubin, V; Courtet, P; Leboyer, M; Kapczinski, F; Henry, C

2018-05-15

Remitted bipolar disorder (BD) patients frequently present with chronic mood instability and emotional hyper-reactivity, associated with poor psychosocial functioning and low-grade inflammation. We investigated emotional hyper-reactivity as a dimension for characterization of remitted BD patients, and clinical and biological factors for identifying those with and without emotional hyper-reactivity. A total of 635 adult remitted BD patients, evaluated in the French Network of Bipolar Expert Centers from 2010-2015, were assessed for emotional reactivity using the Multidimensional Assessment of Thymic States. Machine learning algorithms were used on clinical and biological variables to enhance characterization of patients. After adjustment, patients with emotional hyper-reactivity (n = 306) had significantly higher levels of systolic and diastolic blood pressure (P < 1.0 × 10 -8 ), high-sensitivity C-reactive protein (P < 1.0 × 10 -8 ), fasting glucose (P < 2.23 × 10 -6 ), glycated hemoglobin (P = 0.0008) and suicide attempts (P = 1.4 × 10 -8 ). Using models of combined clinical and biological factors for distinguishing BD patients with and without emotional hyper-reactivity, the strongest predictors were: systolic and diastolic blood pressure, fasting glucose, C-reactive protein and number of suicide attempts. This predictive model identified patients with emotional hyper-reactivity with 84.9% accuracy. The assessment of emotional hyper-reactivity in remitted BD patients is clinically relevant, particularly for identifying those at higher risk of cardiometabolic dysfunction, chronic inflammation, and suicide. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Accounting for Non-Gaussian Sources of Spatial Correlation in Parametric Functional Magnetic Resonance Imaging Paradigms I: Revisiting Cluster-Based Inferences.

PubMed

Gopinath, Kaundinya; Krishnamurthy, Venkatagiri; Sathian, K

2018-02-01

In a recent study, Eklund et al. employed resting-state functional magnetic resonance imaging data as a surrogate for null functional magnetic resonance imaging (fMRI) datasets and posited that cluster-wise family-wise error (FWE) rate-corrected inferences made by using parametric statistical methods in fMRI studies over the past two decades may have been invalid, particularly for cluster defining thresholds less stringent than p < 0.001; this was principally because the spatial autocorrelation functions (sACF) of fMRI data had been modeled incorrectly to follow a Gaussian form, whereas empirical data suggested otherwise. Here, we show that accounting for non-Gaussian signal components such as those arising from resting-state neural activity as well as physiological responses and motion artifacts in the null fMRI datasets yields first- and second-level general linear model analysis residuals with nearly uniform and Gaussian sACF. Further comparison with nonparametric permutation tests indicates that cluster-based FWE corrected inferences made with Gaussian spatial noise approximations are valid.

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

NASA Astrophysics Data System (ADS)

Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi

2005-03-01

The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.

An efficient method for the creation of tunable optical line traps via control of gradient and scattering forces.

PubMed

Tietjen, Gregory T; Kong, Yupeng; Parthasarathy, Raghuveer

2008-07-07

Interparticle interaction energies and other useful physical characteristics can be extracted from the statistical properties of the motion of particles confined by an optical line trap. In practice, however, the potential energy landscape, U(x), imposed by the line provides an extra, and in general unknown, influence on particle dynamics. We describe a new class of line traps in which both the optical gradient and scattering forces acting on a trapped particle are designed to be linear functions of the line coordinate and in which their magnitude can be counterbalanced to yield a flat U(x). These traps are formed using approximate solutions to general relations concerning non-conservative optical forces that have been the subject of recent investigations [Y. Roichman, B. Sun, Y. Roichman, J. Amato-Grill, and D. G. Grier, Phys. Rev. Lett. 100, 013602-4 (2008).]. We implement the lines using holographic optical trapping and measure the forces acting on silica microspheres, demonstrating the tunability of the confining potential energy landscape. Furthermore, we show that our approach efficiently directs available laser power to the trap, in contrast to other methods.

Visualization for Hyper-Heuristics: Back-End Processing

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

Simon, Luke

Modern society is faced with increasingly complex problems, many of which can be formulated as generate-and-test optimization problems. Yet, general-purpose optimization algorithms may sometimes require too much computational time. In these instances, hyperheuristics may be used. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario, finding the solution significantly faster than its predecessor. However, it may be difficult to understand exactly how a design was derived and why it should be trusted. This project aims to address these issues by creating an easy-to-use graphical user interface (GUI) for hyper-heuristics and an easy-to-understand scientific visualizationmore » for the produced solutions. To support the development of this GUI, my portion of the research involved developing algorithms that would allow for parsing of the data produced by the hyper-heuristics. This data would then be sent to the front-end, where it would be displayed to the end user.« less

HITEMP Material and Structural Optimization Technology Transfer

NASA Technical Reports Server (NTRS)

Collier, Craig S.; Arnold, Steve (Technical Monitor)

2001-01-01

The feasibility of adding viscoelasticity and the Generalized Method of Cells (GMC) for micromechanical viscoelastic behavior into the commercial HyperSizer structural analysis and optimization code was investigated. The viscoelasticity methodology was developed in four steps. First, a simplified algorithm was devised to test the iterative time stepping method for simple one-dimensional multiple ply structures. Second, GMC code was made into a callable subroutine and incorporated into the one-dimensional code to test the accuracy and usability of the code. Third, the viscoelastic time-stepping and iterative scheme was incorporated into HyperSizer for homogeneous, isotropic viscoelastic materials. Finally, the GMC was included in a version of HyperSizer. MS Windows executable files implementing each of these steps is delivered with this report, as well as source code. The findings of this research are that both viscoelasticity and GMC are feasible and valuable additions to HyperSizer and that the door is open for more advanced nonlinear capability, such as viscoplasticity.

Elevated hair cortisol concentrations in recently fled asylum seekers in comparison to permanently settled immigrants and non-immigrants.

PubMed

Mewes, R; Reich, H; Skoluda, N; Seele, F; Nater, U M

2017-03-07

Recently fled asylum seekers generally live in stressful conditions. Their residency status is mostly insecure and, similar to other immigrants, they experience stress due to acculturation. Moreover, they often suffer from traumatization and posttraumatic stress disorder (PTSD). All of these factors can result in chronic maladaptive biological stress responses in terms of hyper- or hypocortisolism and, ultimately, illness. We believe the current study is the first to compare hair cortisol concentration (HCC) of recently fled asylum seekers with PTSD to those without PTSD, and to compare HCC of asylum seekers to HCC of permanently settled immigrants and non-immigrant individuals. HCC of the previous 2 months was compared between 24 asylum seekers without PTSD, 32 asylum seekers with PTSD, 24 permanently settled healthy Turkish immigrants and 28 non-immigrant healthy Germans as the reference group. Statistical comparisons were controlled for age, sex and body mass index. No significant difference in HCC was found between asylum seekers with and without PTSD. However, the asylum seekers showed a 42% higher HCC than the reference group. In contrast, the permanently settled immigrants exhibited a 23% lower HCC than the reference group. We found relative hypercortisolism in recently fled asylum seekers, but no difference between persons with and without PTSD. These findings add to the very few studies investigating HCC in groups with recent traumatization and unsafe living conditions. Contrary to the findings in asylum seekers, permanently settled immigrants showed relative hypocortisolism. Both hyper- and hypocortisolism may set the stage for the development of stress-related illnesses.

Thermodynamical study of boron doped CeX{sub 3} (X=Pd, Rh)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

The structural, electronic, thermal, and optical properties of cubic non magnetic CeX{sub 3}(X=Pd, Rh) compounds which crystallize in the Au{sub 3}Cu structure have been studied using the projected augmented wave (PAW) method within the density functional theory (DFT) with generalized gradient approximation (GGA) for exchange correlation potential. In this paper we have calculated the band structure which are interpreted using the density of states. The optical properties such as extinction coefficients clearly illustrate the changes in CeX{sub 3} due to intercalation of boron. Lattice instability is observed in CePd{sub 3}B from the calculated dynamical properties.

Electronic and Piezoelectric properties of half-Heusler compounds: A first principles study

NASA Astrophysics Data System (ADS)

Rai, D. P.; Sandeep; Shankar, A.; Aly, Abeer E.; Patra, P. K.; Thapa, R. K.

2016-10-01

We have investigated the semiconducting and piezoelectric properties of bulk MNiSn (M=Ti, Zr, Hf) type a half-Heusler compound with cubic F-43m symmetry by means of density functional theory (DFT). For electron exchange correlation a generalized gradient approximation (GGA) was used. Special attention was paid to establish a most favourble ground state configuration on magnetic as well as non-magnetic ordering. With fully optimized structure the electronic and ferroelectric calculation was performed. The formation of band gap was discussed on the basis of d-d orbital hybridization. Further we have calculated the spontaneous polarization by means of structural deformation.

The instrument development status of hyper-spectral imager suite (HISUI)

NASA Astrophysics Data System (ADS)

Itoh, Yoshiyuki; Kawashima, Takahiro; Inada, Hitomi; Tanii, Jun; Iwasaki, Akira

2012-11-01

The hyper-multi spectral mission named HISUI (Hyper-spectral Imager SUIte) is the next Japanese earth observation project. This project is the follow up mission of the Advanced Spaceborne Thermal Emission and reflection Radiometer (ASTER) and Advanced Land Imager (ALDS). HISUI is composed of hyperspectral radiometer with higher spectral resolution and multi-spectral radiometer with higher spatial resolution. The development of functional evaluation model was carried out to confirm the spectral and radiometric performance prior to the flight model manufacture phase. This model contains the VNIR and SWIR spectrograph, the VNIR and SWIR detector assemblies with a mechanical cooler for SWIR, signal processing circuit and on-board calibration source.

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

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

Bykov, Dmytro; Kristensen, Kasper; Kjærgaard, Thomas

We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 methodmore » and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.« less

Design of a novel Hyper-spectral riflescope system

NASA Astrophysics Data System (ADS)

Huang, YunHan; Fu, YueGang

2016-10-01

Hyper-spectral imaging involves many research areas, such as optics, spectroscopy, mechanical, microelectronics, and computers, etc. Hyper-spectral imaging system has an irreplaceable role in the detection field. At present, due to the improvement of camouflage technology, characteristic of target in battlefield becomes more complex and the targets became more and more difficult to be detected, According to this phenomenon the author designed a novel hyper-spectral riflescope optical system. In general, the riflescope optical system is composed of two parts front object lens and zoom relay system. Firstly, dispersion characteristics of the typical optical glasses varies during band 400nm 1 000nm, the author derived apochromatic theory that suitable to the front system and relay system without using special glass, and make a example to testify its correctness. In general, the zoom mode of relay system lens is different from the objective lens system, so we should take consideration of them separately. Secondly, based on the above theory, the articles designed a hyper-spectral riflescope system, which has a continuous zoom curve, zoom ratio is 4 times and the F number of the system is 4.8;Full field of view varies during 1.8° 7.2°.Structure of the system is relatively compact, and has not used special glass, eventually the article give the schematic of system MTF and zoom curves of relay movable parts. the curve is smooth and can be applied to practical engineering. The author adopt ZEMAX design software to analyses the results .Design result shows that, in the visible and near-infrared wavelengths, the MTF of imaging system at 60lp / mm during all bands are greater than 0.3, which prove the correctness of the design theory and good performance of system.

The Risk of Oxygen during Cardiac Surgery (ROCS) trial: study protocol for a randomized clinical trial.

PubMed

Lopez, Marcos G; Pretorius, Mias; Shotwell, Matthew S; Deegan, Robert; Eagle, Susan S; Bennett, Jeremy M; Sileshi, Bantayehu; Liang, Yafen; Gelfand, Brian J; Kingeter, Adam J; Siegrist, Kara K; Lombard, Frederick W; Richburg, Tiffany M; Fornero, Dane A; Shaw, Andrew D; Hernandez, Antonio; Billings, Frederic T

2017-06-26

Anesthesiologists administer excess supplemental oxygen (hyper-oxygenation) to patients during surgery to avoid hypoxia. Hyper-oxygenation, however, may increase the generation of reactive oxygen species and cause oxidative damage. In cardiac surgery, increased oxidative damage has been associated with postoperative kidney and brain injury. We hypothesize that maintenance of normoxia during cardiac surgery (physiologic oxygenation) decreases kidney injury and oxidative damage compared to hyper-oxygenation. The Risk of Oxygen during Cardiac Surgery (ROCS) trial will randomly assign 200 cardiac surgery patients to receive physiologic oxygenation, defined as the lowest fraction of inspired oxygen (FIO 2 ) necessary to maintain an arterial hemoglobin saturation of 95 to 97%, or hyper-oxygenation (FIO 2  = 1.0) during surgery. The primary clinical endpoint is serum creatinine change from baseline to postoperative day 2, and the primary mechanism endpoint is change in plasma concentrations of F 2 -isoprostanes and isofurans. Secondary endpoints include superoxide production, clinical delirium, myocardial injury, and length of stay. An endothelial function substudy will examine the effects of oxygen treatment and oxidative stress on endothelial function, measured using flow mediated dilation, peripheral arterial tonometry, and wire tension myography of epicardial fat arterioles. The ROCS trial will test the hypothesis that intraoperative physiologic oxygenation decreases oxidative damage and organ injury compared to hyper-oxygenation in patients undergoing cardiac surgery. ClinicalTrials.gov, ID: NCT02361944 . Registered on the 30th of January 2015.

Disturbance Regimes Predictably Alter Diversity in an Ecologically Complex Bacterial System

PubMed Central

Scholz, Monika; Hutchison, Alan L.; Dinner, Aaron R.; Gilbert, Jack A.; Coleman, Maureen L.

2016-01-01

ABSTRACT Diversity is often associated with the functional stability of ecological communities from microbes to macroorganisms. Understanding how diversity responds to environmental perturbations and the consequences of this relationship for ecosystem function are thus central challenges in microbial ecology. Unimodal diversity-disturbance relationships, in which maximum diversity occurs at intermediate levels of disturbance, have been predicted for ecosystems where life history tradeoffs separate organisms along a disturbance gradient. However, empirical support for such peaked relationships in macrosystems is mixed, and few studies have explored these relationships in microbial systems. Here we use complex microbial microcosm communities to systematically determine diversity-disturbance relationships over a range of disturbance regimes. We observed a reproducible switch between community states, which gave rise to transient diversity maxima when community states were forced to mix. Communities showed reduced compositional stability when diversity was highest. To further explore these dynamics, we formulated a simple model that reveals specific regimes under which diversity maxima are stable. Together, our results show how both unimodal and non-unimodal diversity-disturbance relationships can be observed as a system switches between two distinct microbial community states; this process likely occurs across a wide range of spatially and temporally heterogeneous microbial ecosystems. PMID:27999158

A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

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

Wang, Hanquan, E-mail: hanquan.wang@gmail.com; Yunnan Tongchang Scientific Computing and Data Mining Research Center, Kunming, Yunnan Province, 650221

In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can bemore » computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.« less

On the role of general system theory for functional neuroimaging.

PubMed

Stephan, Klaas Enno

2004-12-01

One of the most important goals of neuroscience is to establish precise structure-function relationships in the brain. Since the 19th century, a major scientific endeavour has been to associate structurally distinct cortical regions with specific cognitive functions. This was traditionally accomplished by correlating microstructurally defined areas with lesion sites found in patients with specific neuropsychological symptoms. Modern neuroimaging techniques with high spatial resolution have promised an alternative approach, enabling non-invasive measurements of regionally specific changes of brain activity that are correlated with certain components of a cognitive process. Reviewing classic approaches towards brain structure-function relationships that are based on correlational approaches, this article argues that these approaches are not sufficient to provide an understanding of the operational principles of a dynamic system such as the brain but must be complemented by models based on general system theory. These models reflect the connectional structure of the system under investigation and emphasize context-dependent couplings between the system elements in terms of effective connectivity. The usefulness of system models whose parameters are fitted to measured functional imaging data for testing hypotheses about structure-function relationships in the brain and their potential for clinical applications is demonstrated by several empirical examples.

On the role of general system theory for functional neuroimaging

PubMed Central

Stephan, Klaas Enno

2004-01-01

One of the most important goals of neuroscience is to establish precise structure–function relationships in the brain. Since the 19th century, a major scientific endeavour has been to associate structurally distinct cortical regions with specific cognitive functions. This was traditionally accomplished by correlating microstructurally defined areas with lesion sites found in patients with specific neuropsychological symptoms. Modern neuroimaging techniques with high spatial resolution have promised an alternative approach, enabling non-invasive measurements of regionally specific changes of brain activity that are correlated with certain components of a cognitive process. Reviewing classic approaches towards brain structure–function relationships that are based on correlational approaches, this article argues that these approaches are not sufficient to provide an understanding of the operational principles of a dynamic system such as the brain but must be complemented by models based on general system theory. These models reflect the connectional structure of the system under investigation and emphasize context-dependent couplings between the system elements in terms of effective connectivity. The usefulness of system models whose parameters are fitted to measured functional imaging data for testing hypotheses about structure–function relationships in the brain and their potential for clinical applications is demonstrated by several empirical examples. PMID:15610393

High-precision control of static magnetic field magnitude, orientation, and gradient using optically pumped vapour cell magnetometry.

PubMed

Ingleby, S J; Griffin, P F; Arnold, A S; Chouliara, M; Riis, E

2017-04-01

An integrated system of hardware and software allowing precise definition of arbitrarily oriented magnetic fields up to |B| = 1 μT within a five-layer Mumetal shield is described. The system is calibrated with reference to magnetic resonance observed between Zeeman states of the 6S 1/2 F = 4 133 Cs ground state. Magnetic field definition over the full 4π solid angle is demonstrated with one-sigma tolerances in magnitude, orientation, and gradient of δ|B| = 0.94 nT, δθ = 5.9 mrad, and δ|∇B|=13.0 pT/mm, respectively. This field control is used to empirically map M x magnetometer signal amplitude as a function of the static field (B 0 ) orientation.

A normalisation framework for (hyper-)spectral imagery

NASA Astrophysics Data System (ADS)

Grumpe, Arne; Zirin, Vladimir; Wöhler, Christian

2015-06-01

It is well known that the topography has an influence on the observed reflectance spectra. This influence is not compensated by spectral ratios, i.e. the effect is wavelength dependent. In this work, we present a complete normalisation framework. The surface temperature is estimated based on the measured surface reflectance. To normalise the spectral reflectance with respect to a standard illumination geometry, spatially varying reflectance parameters are estimated based on a non-linear reflectance model. The reflectance parameter estimation has one free parameter, i.e. a low-pass function, which sets the scale of the spatial-variance, i.e. the lateral resolution of the reflectance parameter maps. Since the local surface topography has a major influence on the measured reflectance, often neglected shading information is extracted from the spectral imagery and an existing topography model is refined to image resolution. All methods are demonstrated on the Moon Mineralogy Mapper dataset. Additionally, two empirical methods are introduced that deal with observed systematic reflectance changes in co-registered images acquired at different phase angles. These effects, however, may also be caused by the sensor temperature, due to its correlation with the phase angle. Surface temperatures above 300 K are detected and are very similar to a reference method. The proposed method, however, seems more robust in case of absorptions visible in the reflectance spectrum near 2000 nm. By introducing a low-pass into the computation of the reflectance parameters, the reflectance behaviour of the surfaces may be derived at different scales. This allows for an iterative refinement of the local surface topography using shape from shading and the computation reflectance parameters. The inferred parameters are derived from all available co-registered images and do not show significant influence of the local surface topography. The results of the empirical correction show that both proposed methods greatly reduce the influence of different phase angles or sensor temperatures.

Generalization of the van der Pauw Method: Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients

NASA Astrophysics Data System (ADS)

Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.

A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.

A novel digital image sensor with row wise gain compensation for Hyper Spectral Imager (HySI) application

NASA Astrophysics Data System (ADS)

Lin, Shengmin; Lin, Chi-Pin; Wang, Weng-Lyang; Hsiao, Feng-Ke; Sikora, Robert

2009-08-01

A 256x512 element digital image sensor has been developed which has a large pixel size, slow scan and low power consumption for Hyper Spectral Imager (HySI) applications. The device is a mixed mode, silicon on chip (SOC) IC. It combines analog circuitry, digital circuitry and optical sensor circuitry into a single chip. This chip integrates a 256x512 active pixel sensor array, a programming gain amplifier (PGA) for row wise gain setting, I2C interface, SRAM, 12 bit analog to digital convertor (ADC), voltage regulator, low voltage differential signal (LVDS) and timing generator. The device can be used for 256 pixels of spatial resolution and 512 bands of spectral resolution ranged from 400 nm to 950 nm in wavelength. In row wise gain readout mode, one can set a different gain on each row of the photo detector by storing the gain setting data on the SRAM thru the I2C interface. This unique row wise gain setting can be used to compensate the silicon spectral response non-uniformity problem. Due to this unique function, the device is suitable for hyper-spectral imager applications. The HySI camera located on-board the Chandrayaan-1 satellite, was successfully launched to the moon on Oct. 22, 2008. The device is currently mapping the moon and sending back excellent images of the moon surface. The device design and the moon image data will be presented in the paper.

Cell Wall Assembly and Intracellular Trafficking in Plant Cells Are Directly Affected by Changes in the Magnitude of Gravitational Acceleration

PubMed Central

Chebli, Youssef; Pujol, Lauranne; Shojaeifard, Anahid; Brouwer, Iman; van Loon, Jack J. W. A.; Geitmann, Anja

2013-01-01

Plants are able to sense the magnitude and direction of gravity. This capacity is thought to reside in selected cell types within the plant body that are equipped with specialized organelles called statoliths. However, most plant cells do not possess statoliths, yet they respond to changes in gravitational acceleration. To understand the effect of gravity on the metabolism and cellular functioning of non-specialized plant cells, we investigated a rapidly growing plant cell devoid of known statoliths and without gravitropic behavior, the pollen tube. The effects of hyper-gravity and omnidirectional exposure to gravity on intracellular trafficking and on cell wall assembly were assessed in Camellia pollen tubes, a model system with highly reproducible growth behavior in vitro. Using an epi-fluorescence microscope mounted on the Large Diameter Centrifuge at the European Space Agency, we were able to demonstrate that vesicular trafficking is reduced under hyper-gravity conditions. Immuno-cytochemistry confirmed that both in hyper and omnidirectional gravity conditions, the characteristic spatial profiles of cellulose and callose distribution in the pollen tube wall were altered, in accordance with a dose-dependent effect on pollen tube diameter. Our findings suggest that in response to gravity induced stress, the pollen tube responds by modifying cell wall assembly to compensate for the altered mechanical load. The effect was reversible within few minutes demonstrating that the pollen tube is able to quickly adapt to changing stress conditions. PMID:23516452

Adjoint tomography of Empirical Green's functions from ambient noise in Southern California

NASA Astrophysics Data System (ADS)

Wang, K.; Liu, Q.; Yang, Y.; Basini, P.; Tape, C.

2017-12-01

We construct a new shear-wave velocity (Vsv) model in Southern California by adjoint tomography of Rayleigh-wave Empirical Green's functions at 5-50 s period from Z-Z component ambient noise cross-correlations. The initial model of our adjoint tomography is the isotropic Vs model M16 from Tape et al. [2010], which is generated by three-component body and surface waves at 2-30 s period from local earthquake data. Synthetic Green's functions (SGFs) from M16 show a good agreement with the Empirical Green's functions (EGFs) from ambient noise at 5-50 s and 10-50 s period bands, but have an average 1.75 s advance in time at 20-50 s. By minimizing the traveltime differences between the EGFs and SGFs using gradient-based algorithm, the initial model is refined and improved and the total misfits is reduced from the initial 1.75s to its convergent point of 0.33 s after five iterations. The final Vsv model fits EGF waveforms better than the initial model at all the three frequency bands with smaller misfit distributions. Our new Vsv model reveals some new features in the mid- and lower-crust, mainly including: (1) the mean speed of lower crust is slowed down by about 5%; (2) In the Los Angeles Basin and its Northern area, the speed is higher than the initial model throughout the crust; (3) beneath the westernmost Peninsular Range Batholith (PRB) and Sierra Nevada Batholith (SNB), we observe high shear velocities in the lower crust; (4) a shallow high-velocity zone in the mid-crust are observed beneath Salton Trough Basin. Our model also shows refined lateral velocity gradient across PRB, SNB, San Andreas Fault (SAF), which helps to understand the west-east compositional boundary in PRB, SNB, and the dip angle and the depth extent of SAF. Our study demonstrates the feasibility of adjoint tomography of ambient noise data in southern California, which is an important complement to earthquake data. The numerical solver used in adjoint tomography can provide more accurate structure sensitivity kernels than analytical methods used in traditional ambient noise tomography.

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

Lee, Hyewon; Cheong, S.W.; Kim, Bog G., E-mail: boggikim@pusan.ac.kr

We have studied the properties of SnO{sub 6} octahedra-containing perovskites and their derived structures using ab initio calculations with different density functionals. In order to predict the correct band gap of the materials, we have used B3LYP hybrid density functional, and the results of B3LYP were compared with those obtained using the local density approximation and generalized gradient approximation data. The calculations have been conducted for the orthorhombic ground state of the SnO{sub 6} containing perovskites. We also have expended the hybrid density functional calculation to the ASnO{sub 3}/A'SnO{sub 3} system with different cation orderings. We propose an empirical relationshipmore » between the tolerance factor and the band gap of SnO{sub 6} containing oxide materials based on first principles calculation. - Graphical abstract: (a) Structure of ASnO{sub 3} for orthorhombic ground state. The green ball is A (Ba, Sr, Ca) cation and the small (red) ball on edge is oxygen. SnO{sub 6} octahedrons are plotted as polyhedron. (b) Band gap of ASnO{sub 3} as a function of the tolerance factor for different density functionals. The experimental values of the band gap are marked as green pentagons. (c) ASnO{sub 3}/A'SnO{sub 3} superlattices with two types cation arrangement: [001] layered structure and [111] rocksalt structure, respectively. (d) B3LYP hybrid functional band gaps of ASnO{sub 3}, [001] ordered superlattices, and [111] ordered superlattices of ASnO{sub 3}/A'SnO{sub 3} as a function of the effective tolerance factor. Note the empirical linear relationship between the band gap and effective tolerance factor. - Highlights: • We report the hybrid functional band gap calculation of ASnO{sub 3} and ASnO{sub 3}/A'SnO{sub 3}. • The band gap of ASnO{sub 3} using B3LYP functional reproduces the experimental value. • We propose the linear relationship between the tolerance factor and the band gap.« less

Pressure balance inconsistency exhibited in a statistical model of magnetospheric plasma

NASA Astrophysics Data System (ADS)

Garner, T. W.; Wolf, R. A.; Spiro, R. W.; Thomsen, M. F.; Korth, H.

2003-08-01

While quantitative theories of plasma flow from the magnetotail to the inner magnetosphere typically assume adiabatic convection, it has long been understood that these convection models tend to overestimate the plasma pressure in the inner magnetosphere. This phenomenon is called the pressure crisis or the pressure balance inconsistency. In order to analyze it in a new and more detailed manner we utilize an empirical model of the proton and electron distribution functions in the near-Earth plasma sheet (-50 RE < X < -10 RE), which uses the [1989] magnetic field model and a plasma sheet representation based upon several previously published statistical studies. We compare our results to a statistically derived particle distribution function at geosynchronous orbit. In this analysis the particle distribution function is characterized by the isotropic energy invariant λ = EV2/3, where E is the particle's kinetic energy and V is the magnetic flux tube volume. The energy invariant is conserved in guiding center drift under the assumption of strong, elastic pitch angle scattering. If, in addition, loss is negligible, the phase space density f(λ) is also conserved along the same path. The statistical model indicates that f(λ, ?) is approximately independent of X for X ≤ -35 RE but decreases with increasing X for X ≥ -35 RE. The tailward gradient of f(λ, ?) might be attributed to gradient/curvature drift for large isotropic energy invariants but not for small invariants. The tailward gradient of the distribution function indicates a violation of the adiabatic drift condition in the plasma sheet. It also confirms the existence of a "number crisis" in addition to the pressure crisis. In addition, plasma sheet pressure gradients, when crossed with the gradient of flux tube volume computed from the [1989] magnetic field model, indicate Region 1 currents on the dawn and dusk sides of the outer plasma sheet.

Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach.

PubMed

Stroet, Martin; Koziara, Katarzyna B; Malde, Alpeshkumar K; Mark, Alan E

2017-12-12

A general method for parametrizing atomic interaction functions is presented. The method is based on an analysis of surfaces corresponding to the difference between calculated and target data as a function of alternative combinations of parameters (parameter space mapping). The consideration of surfaces in parameter space as opposed to local values or gradients leads to a better understanding of the relationships between the parameters being optimized and a given set of target data. This in turn enables for a range of target data from multiple molecules to be combined in a robust manner and for the optimal region of parameter space to be trivially identified. The effectiveness of the approach is illustrated by using the method to refine the chlorine 6-12 Lennard-Jones parameters against experimental solvation free enthalpies in water and hexane as well as the density and heat of vaporization of the liquid at atmospheric pressure for a set of 10 aromatic-chloro compounds simultaneously. Single-step perturbation is used to efficiently calculate solvation free enthalpies for a wide range of parameter combinations. The capacity of this approach to parametrize accurate and transferrable force fields is discussed.

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions.

PubMed

Karasiev, Valentin V; Dufty, James W; Trickey, S B

2018-02-16

Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (XC) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation XC free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T, high-T, and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T. Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

NASA Astrophysics Data System (ADS)

Karasiev, Valentin V.; Dufty, James W.; Trickey, S. B.

2018-02-01

Realizing the potential for predictive density functional calculations of matter under extreme conditions depends crucially upon having an exchange-correlation (X C ) free-energy functional accurate over a wide range of state conditions. Unlike the ground-state case, no such functional exists. We remedy that with systematic construction of a generalized gradient approximation X C free-energy functional based on rigorous constraints, including the free-energy gradient expansion. The new functional provides the correct temperature dependence in the slowly varying regime and the correct zero-T , high-T , and homogeneous electron gas limits. Its accuracy in the warm dense matter regime is attested by excellent agreement of the calculated deuterium equation of state with reference path integral Monte Carlo results at intermediate and elevated T . Pressure shifts for hot electrons in compressed static fcc Al and for low-density Al demonstrate the combined magnitude of thermal and gradient effects handled well by this functional over a wide T range.

NASA's Hyper-X Program

NASA Technical Reports Server (NTRS)

Rausch, Vincent L.; McClinton, Charles R.; Sitz, Joel; Reukauf, Paul

2000-01-01

This paper provides an overview of the objectives and status of the Hyper-X program which is tailored to move hypersonic, airbreathing vehicle technology from the laboratory environment to the flight environment, the last stage preceding prototype development. The first Hyper-X research vehicle (HXRV), designated X-43, is being prepared at the Dryden Flight Research Center for flight at Mach 7 in the near future. In addition, the associated booster and vehicle-to-booster adapter are being prepared for flight and flight test preparations are well underway. Extensive risk reduction activities for the first flight and non-recurring design for the Mach 10 X-43 (3rd flight) are nearing completion. The Mach 7 flight of the X-43 will be the first flight of an airframe-integrated scramjet-powered vehicle.

Stochastic modeling of turbulent reacting flows

NASA Technical Reports Server (NTRS)

Fox, R. O.; Hill, J. C.; Gao, F.; Moser, R. D.; Rogers, M. M.

1992-01-01

Direct numerical simulations of a single-step irreversible chemical reaction with non-premixed reactants in forced isotropic turbulence at R(sub lambda) = 63, Da = 4.0, and Sc = 0.7 were made using 128 Fourier modes to obtain joint probability density functions (pdfs) and other statistical information to parameterize and test a Fokker-Planck turbulent mixing model. Preliminary results indicate that the modeled gradient stretching term for an inert scalar is independent of the initial conditions of the scalar field. The conditional pdf of scalar gradient magnitudes is found to be a function of the scalar until the reaction is largely completed. Alignment of concentration gradients with local strain rate and other features of the flow were also investigated.

Elastic field of a spherical inclusion with non-uniform eigenfields in second strain gradient elasticity

NASA Astrophysics Data System (ADS)

Delfani, M. R.; Latifi Shahandashti, M.

2017-09-01

In this paper, within the complete form of Mindlin's second strain gradient theory, the elastic field of an isolated spherical inclusion embedded in an infinitely extended homogeneous isotropic medium due to a non-uniform distribution of eigenfields is determined. These eigenfields, in addition to eigenstrain, comprise eigen double and eigen triple strains. After the derivation of a closed-form expression for Green's function associated with the problem, two different cases of non-uniform distribution of the eigenfields are considered as follows: (i) radial distribution, i.e. the distributions of the eigenfields are functions of only the radial distance of points from the centre of inclusion, and (ii) polynomial distribution, i.e. the distributions of the eigenfields are polynomial functions in the Cartesian coordinates of points. While the obtained solution for the elastic field of the latter case takes the form of an infinite series, the solution to the former case is represented in a closed form. Moreover, Eshelby's tensors associated with the two mentioned cases are obtained.

Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations.

PubMed

Zgarbová, Marie; Otyepka, Michal; Sponer, Jirí; Hobza, Pavel; Jurecka, Petr

2010-09-21

The intermolecular interaction energy components for several molecular complexes were calculated using force fields available in the AMBER suite of programs and compared with Density Functional Theory-Symmetry Adapted Perturbation Theory (DFT-SAPT) values. The extent to which such comparison is meaningful is discussed. The comparability is shown to depend strongly on the intermolecular distance, which means that comparisons made at one distance only are of limited value. At large distances the coulombic and van der Waals 1/r(6) empirical terms correspond fairly well with the DFT-SAPT electrostatics and dispersion terms, respectively. At the onset of electronic overlap the empirical values deviate from the reference values considerably. However, the errors in the force fields tend to cancel out in a systematic manner at equilibrium distances. Thus, the overall performance of the force fields displays errors an order of magnitude smaller than those of the individual interaction energy components. The repulsive 1/r(12) component of the van der Waals expression seems to be responsible for a significant part of the deviation of the force field results from the reference values. We suggest that further improvement of the force fields for intermolecular interactions would require replacement of the nonphysical 1/r(12) term by an exponential function. Dispersion anisotropy and its effects are discussed. Our analysis is intended to show that although comparing the empirical and non-empirical interaction energy components is in general problematic, it might bring insights useful for the construction of new force fields. Our results are relevant to often performed force-field-based interaction energy decompositions.

Analytical Solution for Optimum Design of Furrow Irrigation Systems

NASA Astrophysics Data System (ADS)

Kiwan, M. E.

1996-05-01

An analytical solution for the optimum design of furrow irrigation systems is derived. The non-linear calculus optimization method is used to formulate a general form for designing the optimum system elements under circumstances of maximizing the water application efficiency of the system during irrigation. Different system bases and constraints are considered in the solution. A full irrigation water depth is considered to be achieved at the tail of the furrow line. The solution is based on neglecting the recession and depletion times after off-irrigation. This assumption is valid in the case of open-end (free gradient) furrow systems rather than closed-end (closed dike) systems. Illustrative examples for different systems are presented and the results are compared with the output obtained using an iterative numerical solution method. The final derived solution is expressed as a function of the furrow length ratio (the furrow length to the water travelling distance). The function of water travelling developed by Reddy et al. is considered for reaching the optimum solution. As practical results from the study, the optimum furrow elements for free gradient systems can be estimated to achieve the maximum application efficiency, i.e. furrow length, water inflow rate and cutoff irrigation time.

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization

PubMed Central

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence—with at most a linear convergence rate—because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method. PMID:26381742

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization.

PubMed

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.

Policy Gradient Adaptive Dynamic Programming for Data-Based Optimal Control.

PubMed

Luo, Biao; Liu, Derong; Wu, Huai-Ning; Wang, Ding; Lewis, Frank L

2017-10-01

The model-free optimal control problem of general discrete-time nonlinear systems is considered in this paper, and a data-based policy gradient adaptive dynamic programming (PGADP) algorithm is developed to design an adaptive optimal controller method. By using offline and online data rather than the mathematical system model, the PGADP algorithm improves control policy with a gradient descent scheme. The convergence of the PGADP algorithm is proved by demonstrating that the constructed Q -function sequence converges to the optimal Q -function. Based on the PGADP algorithm, the adaptive control method is developed with an actor-critic structure and the method of weighted residuals. Its convergence properties are analyzed, where the approximate Q -function converges to its optimum. Computer simulation results demonstrate the effectiveness of the PGADP-based adaptive control method.

SparseBeads data: benchmarking sparsity-regularized computed tomography

NASA Astrophysics Data System (ADS)

Jørgensen, Jakob S.; Coban, Sophia B.; Lionheart, William R. B.; McDonald, Samuel A.; Withers, Philip J.

2017-12-01

Sparsity regularization (SR) such as total variation (TV) minimization allows accurate image reconstruction in x-ray computed tomography (CT) from fewer projections than analytical methods. Exactly how few projections suffice and how this number may depend on the image remain poorly understood. Compressive sensing connects the critical number of projections to the image sparsity, but does not cover CT, however empirical results suggest a similar connection. The present work establishes for real CT data a connection between gradient sparsity and the sufficient number of projections for accurate TV-regularized reconstruction. A collection of 48 x-ray CT datasets called SparseBeads was designed for benchmarking SR reconstruction algorithms. Beadpacks comprising glass beads of five different sizes as well as mixtures were scanned in a micro-CT scanner to provide structured datasets with variable image sparsity levels, number of projections and noise levels to allow the systematic assessment of parameters affecting performance of SR reconstruction algorithms6. Using the SparseBeads data, TV-regularized reconstruction quality was assessed as a function of numbers of projections and gradient sparsity. The critical number of projections for satisfactory TV-regularized reconstruction increased almost linearly with the gradient sparsity. This establishes a quantitative guideline from which one may predict how few projections to acquire based on expected sample sparsity level as an aid in planning of dose- or time-critical experiments. The results are expected to hold for samples of similar characteristics, i.e. consisting of few, distinct phases with relatively simple structure. Such cases are plentiful in porous media, composite materials, foams, as well as non-destructive testing and metrology. For samples of other characteristics the proposed methodology may be used to investigate similar relations.

Attenuation of the NMR signal in a field gradient due to stochastic dynamics with memory

NASA Astrophysics Data System (ADS)

Lisý, Vladimír; Tóthová, Jana

2017-03-01

The attenuation function S(t) for an ensemble of spins in a magnetic-field gradient is calculated by accumulation of the phase shifts in the rotating frame resulting from the displacements of spin-bearing particles. The found S(t), expressed through the particle mean square displacement, is applicable for any kind of stationary stochastic motion of spins, including their non-markovian dynamics with memory. The known expressions valid for normal and anomalous diffusion are obtained as special cases in the long time approximation. The method is also applicable to the NMR pulse sequences based on the refocusing principle. This is demonstrated by describing the Hahn spin echo experiment. The attenuation of the NMR signal is also evaluated providing that the random motion of particle is modeled by the generalized Langevin equation with the memory kernel exponentially decaying in time. The models considered in our paper assume massive particles driven by much smaller particles.

Simplified DFT methods for consistent structures and energies of large systems

NASA Astrophysics Data System (ADS)

Caldeweyher, Eike; Gerit Brandenburg, Jan

2018-05-01

Kohn–Sham density functional theory (DFT) is routinely used for the fast electronic structure computation of large systems and will most likely continue to be the method of choice for the generation of reliable geometries in the foreseeable future. Here, we present a hierarchy of simplified DFT methods designed for consistent structures and non-covalent interactions of large systems with particular focus on molecular crystals. The covered methods are a minimal basis set Hartree–Fock (HF-3c), a small basis set screened exchange hybrid functional (HSE-3c), and a generalized gradient approximated functional evaluated in a medium-sized basis set (B97-3c), all augmented with semi-classical correction potentials. We give an overview on the methods design, a comprehensive evaluation on established benchmark sets for geometries and lattice energies of molecular crystals, and highlight some realistic applications on large organic crystals with several hundreds of atoms in the primitive unit cell.

Free-standing supramolecular hydrogel objects by reaction-diffusion

PubMed Central

Lovrak, Matija; Hendriksen, Wouter E. J.; Maity, Chandan; Mytnyk, Serhii; van Steijn, Volkert; Eelkema, Rienk; van Esch, Jan H.

2017-01-01

Self-assembly provides access to a variety of molecular materials, yet spatial control over structure formation remains difficult to achieve. Here we show how reaction–diffusion (RD) can be coupled to a molecular self-assembly process to generate macroscopic free-standing objects with control over shape, size, and functionality. In RD, two or more reactants diffuse from different positions to give rise to spatially defined structures on reaction. We demonstrate that RD can be used to locally control formation and self-assembly of hydrazone molecular gelators from their non-assembling precursors, leading to soft, free-standing hydrogel objects with sizes ranging from several hundred micrometres up to centimeters. Different chemical functionalities and gradients can easily be integrated in the hydrogel objects by using different reactants. Our methodology, together with the vast range of organic reactions and self-assembling building blocks, provides a general approach towards the programmed fabrication of soft microscale objects with controlled functionality and shape. PMID:28580948

Hyper-theory-of-mind in children with Psychotic Experiences.

PubMed

Clemmensen, Lars; van Os, Jim; Skovgaard, Anne Mette; Væver, Mette; Blijd-Hoogewys, Els M A; Bartels-Velthuis, Agna A; Jeppesen, Pia

2014-01-01

Alterations in Theory-of-Mind (ToM) are associated with psychotic disorder. In addition, studies in children have documented that alterations in ToM are associated with Psychotic Experiences (PE). Our aim was to examine associations between an exaggerated type of ToM (HyperToM) and PE in children. Children with this type of alteration in ToM infer mental states when none are obviously suggested, and predict behaviour on the basis of these erroneous beliefs. Individuals with HyperToM do not appear to have a conceptual deficit (i.e. lack of representational abilities), but rather they apply their theory of the minds of others in an incorrect or biased way. Hypotheses were tested in two studies with two independent samples: (i) a general population sample of 1630 Danish children aged 11-12 years, (ii) a population-based sample of 259 Dutch children aged 12-13 years, pertaining to a case-control sampling frame of children with auditory verbal hallucinations. Multinomial regression analyses were carried out to investigate the associations between PE and ToM and HyperToM respectively. Analyses were adjusted for gender and proxy measures of general intelligence. Low ToM score was significantly associated with PE in sample I (OR = 1.6 95%CI 1.1-2.3 χ2(4) = 12.42 p = 0.010), but not in sample II (OR = 0.9 95%CI 0.5-1.8 χ2(3) = 7.13 p = 0.816). HyperToM was significantly associated with PE both in sample I (OR = 1.8, 95%CI 1.2-2.7 χ2(3) = 10.11 p = 0.006) and II (OR = 4.6, 95%CI 1.3-16.2 χ2(2) = 7.56 p = 0.018). HyperToM was associated particularly with paranoid delusions in both sample I (OR = 2.0, 95%CI: 1.1-3.7% χ2(4) = 9.93 p = 0.021) and II (OR = 6.2 95%CI: 1.7-23.6% χ2(4) = 9.90 p = 0.044). Specific alterations in ToM may be associated with specific types of psychotic experiences. HyperToM may index risk for developing psychosis and paranoid delusions in particular.

High resolution 2D numerical models from rift to break-up: Crustal hyper-extension, Margin asymmetry, Sequential faulting

NASA Astrophysics Data System (ADS)

Brune, Sascha; Heine, Christian; Pérez-Gussinyé, Marta; Sobolev, Stephan

2013-04-01

Numerical modelling is a powerful tool to integrate a multitude of geological and geophysical data while addressing fundamental questions of passive margin formation such as the occurrence of crustal hyper-extension, (a-)symmetries between conjugate margin pairs, and the sometimes significant structural differences between adjacent margin segments. This study utilises knowledge gathered from two key examples of non-magmatic, asymmetric, conjugate margin pairs, i.e. Iberia-New Foundland and Southern Africa-Brazil, where many published seismic lines provide solid knowledge on individual margin geometry. While both margins involve crustal hyper-extension, it is much more pronounced in the South Atlantic. We investigate the evolution of these two margin pairs by carefully constraining our models with detailed plate kinematic history, laboratory-based rheology, and melt fraction evaluation of mantle upwelling. Our experiments are consistent with observed fault patterns, crustal thickness, and basin stratigraphy. We conduct 2D thermomechanical rift models using the finite element code SLIM3D that operates with nonlinear stress- and temperature-dependent elasto-visco-plastic rheology, with parameters provided by laboratory experiments on major crustal and upper mantle rocks. In our models we also calculate the melt fraction within the upwelling asthenosphere, which allows us to control whether the model indeed corresponds to the non-magmatic margin type or not. Our modelling highlights two processes as fundamental for the formation of hyper-extension and margin asymmetry at non-magmatic margins: (1) Strain hardening in the rift center due to cooling of upwelling mantle material (2) The formation of a weak crustal domain adjacent to the rift center caused by localized viscous strain softening and heat transfer from the mantle. Simultaneous activity of both processes promotes lateral rift migration in a continuous way that generates a wide layer of hyper-extended crust on one side of the rift basin. This mechanism implies that syn-rift deformation at the distal margin postdates faulting at the proximal margin by several million years. The succession of events holds intriguing implications not only for peak heat flow migration but also for processes like serpentinization and magmatic underplating.

Selecting a restoration technique to minimize OCR error.

PubMed

Cannon, M; Fugate, M; Hush, D R; Scovel, C

2003-01-01

This paper introduces a learning problem related to the task of converting printed documents to ASCII text files. The goal of the learning procedure is to produce a function that maps documents to restoration techniques in such a way that on average the restored documents have minimum optical character recognition error. We derive a general form for the optimal function and use it to motivate the development of a nonparametric method based on nearest neighbors. We also develop a direct method of solution based on empirical error minimization for which we prove a finite sample bound on estimation error that is independent of distribution. We show that this empirical error minimization problem is an extension of the empirical optimization problem for traditional M-class classification with general loss function and prove computational hardness for this problem. We then derive a simple iterative algorithm called generalized multiclass ratchet (GMR) and prove that it produces an optimal function asymptotically (with probability 1). To obtain the GMR algorithm we introduce a new data map that extends Kesler's construction for the multiclass problem and then apply an algorithm called Ratchet to this mapped data, where Ratchet is a modification of the Pocket algorithm . Finally, we apply these methods to a collection of documents and report on the experimental results.

Quantized vortices and superflow in arbitrary dimensions: structure, energetics and dynamics

NASA Astrophysics Data System (ADS)

Goldbart, Paul M.; Bora, Florin

2009-05-01

The structure and energetics of superflow around quantized vortices, and the motion inherited by these vortices from this superflow, are explored in the general setting of a superfluid in arbitrary dimensions. The vortices may be idealized as objects of codimension 2, such as one-dimensional loops and two-dimensional closed surfaces, respectively, in the cases of three- and four-dimensional superfluidity. By using the analogy between the vortical superflow and Ampère-Maxwell magnetostatics, the equilibrium superflow containing any specified collection of vortices is constructed. The energy of the superflow is found to take on a simple form for vortices that are smooth and asymptotically large, compared with the vortex core size. The motion of vortices is analyzed in general, as well as for the special cases of hyper-spherical and weakly distorted hyper-planar vortices. In all dimensions, vortex motion reflects vortex geometry. In dimension 4 and higher, this includes not only extrinsic but also intrinsic aspects of the vortex shape, which enter via the first and second fundamental forms of classical geometry. For hyper-spherical vortices, which generalize the vortex rings of three-dimensional superfluidity, the energy-momentum relation is determined. Simple scaling arguments recover the essential features of these results, up to numerical and logarithmic factors.

Modeling Nearly Spherical Pure-bulge Galaxies with a Stellar Mass-to-light Ratio Gradient under the ΛCDM and MOND Paradigms. I. Methodology, Dynamical Stellar Mass, and Fundamental Mass Plane

NASA Astrophysics Data System (ADS)

Chae, Kyu-Hyun; Bernardi, Mariangela; Sheth, Ravi K.

2018-06-01

We carry out spherical Jeans modeling of nearly round pure-bulge galaxies selected from the ATLAS3D sample. Our modeling allows for gradients in the stellar mass-to-light ratio (M ⋆/L) through analytic prescriptions parameterized with a “gradient strength” K introduced to accommodate any viable gradient. We use a generalized Osipkov–Merritt model for the velocity dispersion (VD) anisotropy. We produce Monte Carlo sets of models based on the stellar VD profiles under both the ΛCDM and MOND paradigms. Here, we describe the galaxy data, the empirical inputs, and the modeling procedures of obtaining the Monte Carlo sets. We then present the projected dynamical stellar mass, {M}\\star {{e}}, within the effective radius R e, and the fundamental mass plane (FMP) as a function of K. We find the scaling of the K-dependent mass with respect to the ATLAS3D reported mass as: {log}}10[{M}\\star {{e}}(K)/{M}\\star {{e}}{{A}3{{D}}}]=a\\prime +b\\prime K with a‧ = ‑0.019 ± 0.012 and b‧ = ‑0.18 ± 0.02 (ΛCDM), or a‧ = ‑0.023 ± 0.014 and b‧ = ‑0.23 ± 0.03 (MOND), for 0 ≤ K < 1.5. The FMP has coefficients consistent with the virial expectation and only the zero-point scales with K. The median value of K for the ATLAS3D galaxies is < K> ={0.53}-0.04+0.05. We perform a similar analysis of the much larger SDSS DR7 spectroscopic sample. In this case, only the VD within a single aperture is available, so we impose the additional requirement that the VD slope be similar to that in the ATLAS3D galaxies. Our analysis of the SDSS galaxies suggests a positive correlation of K with stellar mass.

Combined solvent- and non-uniform temperature-programmed gradient liquid chromatography. I - A theoretical investigation.

PubMed

Gritti, Fabrice

2016-11-18

An new class of gradient liquid chromatography (GLC) is proposed and its performance is analyzed from a theoretical viewpoint. During the course of such gradients, both the solvent strength and the column temperature are simultaneously changed in time and space. The solvent and temperature gradients propagate along the chromatographic column at their own and independent linear velocity. This class of gradient is called combined solvent- and temperature-programmed gradient liquid chromatography (CST-GLC). The general expressions of the retention time, retention factor, and of the temporal peak width of the analytes at elution in CST-GLC are derived for linear solvent strength (LSS) retention models, modified van't Hoff retention behavior, linear and non-distorted solvent gradients, and for linear temperature gradients. In these conditions, the theory predicts that CST-GLC is equivalent to a unique and apparent dynamic solvent gradient. The apparent solvent gradient steepness is the sum of the solvent and temperature steepness. The apparent solvent linear velocity is the reciprocal of the steepness-averaged sum of the reciprocal of the actual solvent and temperature linear velocities. The advantage of CST-GLC over conventional GLC is demonstrated for the resolution of protein digests (peptide mapping) when applying smooth, retained, and linear acetonitrile gradients in combination with a linear temperature gradient (from 20°C to 90°C) using 300μm×150mm capillary columns packed with sub-2 μm particles. The benefit of CST-GLC is demonstrated when the temperature gradient propagates at the same velocity as the chromatographic speed. The experimental proof-of-concept for the realization of temperature ramps propagating at a finite and constant linear velocity is also briefly described. Copyright © 2016 Elsevier B.V. All rights reserved.

Systematic interpolation method predicts protein chromatographic elution with salt gradients, pH gradients and combined salt/pH gradients.

PubMed

Creasy, Arch; Barker, Gregory; Carta, Giorgio

2017-03-01

A methodology is presented to predict protein elution behavior from an ion exchange column using both individual or combined pH and salt gradients based on high-throughput batch isotherm data. The buffer compositions are first optimized to generate linear pH gradients from pH 5.5 to 7 with defined concentrations of sodium chloride. Next, high-throughput batch isotherm data are collected for a monoclonal antibody on the cation exchange resin POROS XS over a range of protein concentrations, salt concentrations, and solution pH. Finally, a previously developed empirical interpolation (EI) method is extended to describe protein binding as a function of the protein and salt concentration and solution pH without using an explicit isotherm model. The interpolated isotherm data are then used with a lumped kinetic model to predict the protein elution behavior. Experimental results obtained for laboratory scale columns show excellent agreement with the predicted elution curves for both individual or combined pH and salt gradients at protein loads up to 45 mg/mL of column. Numerical studies show that the model predictions are robust as long as the isotherm data cover the range of mobile phase compositions where the protein actually elutes from the column. Copyright © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Punishment and spite, the dark side of cooperation

PubMed Central

Jensen, Keith

2010-01-01

Causing harm to others would hardly seem to be relevant to cooperation, other than as a barrier to it. However, because selfish individuals will exploit cooperators, functional punishment is an effective mechanism for enforcing cooperation by deterring free-riding. Although functional punishment can shape the social behaviour of others by targeting non-cooperative behaviour, it can also intimidate others into doing almost anything. Second-party functional punishment is a self-serving behaviour at the disposal of dominant individuals who can coerce others into behaving cooperatively, but it need not do so. Third-party and altruistic functional punishment are less likely to be selfishly motivated and would seem more likely to maintain norms of cooperation in large groups. These forms of functional punishment may be an essential part of non-kin cooperation on a scale exhibited only by humans. While punitive sentiments might be the psychological force behind punitive behaviours, spiteful motives might also play an important role. Furthermore, functionally spiteful acts might not be maladaptive; reckoning gains relative to others rather than in absolute terms can lead to hyper-competitiveness, which might also be an important part of human cooperation, rather than just an ugly by-product. PMID:20679108

Spin and charge thermopower effects in the ferromagnetic graphene junction

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

Vahedi, Javad, E-mail: javahedi@gmail.com; Center for Theoretical Physics of Complex Systems, Institute for Basic Science; Barimani, Fattaneh

2016-08-28

Using wave function matching approach and employing the Landauer-Buttiker formula, a ferromagnetic graphene junction with temperature gradient across the system is studied. We calculate the thermally induced charge and spin current as well as the thermoelectric voltage (Seebeck effect) in the linear and nonlinear regimes. Our calculation revealed that due to the electron-hole symmetry, the charge Seebeck coefficient is, for an undoped magnetic graphene, an odd function of chemical potential while the spin Seebeck coefficient is an even function regardless of the temperature gradient and junction length. We have also found with an accurate tuning external parameter, namely, the exchangemore » filed and gate voltage, the temperature gradient across the junction drives a pure spin current without accompanying the charge current. Another important characteristic of thermoelectric transport, thermally induced current in the nonlinear regime, is examined. It would be our main finding that with increasing thermal gradient applied to the junction the spin and charge thermovoltages decrease and even become zero for non zero temperature bias.« less

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

Attentional Control and Fear Extinction in Subclinical Fear: An Exploratory Study

PubMed Central

Forcadell, Eduard; Torrents-Rodas, David; Treen, Devi; Fullana, Miquel A.; Tortella-Feliu, Miquel

2017-01-01

Attentional control (AC) and fear extinction learning are known to be involved in pathological anxiety. In this study we explored whether individual differences in non-emotional AC were associated with individual differences in the magnitude and gradient of fear extinction (learning and recall). In 50 individuals with fear of spiders, we collected measures of non-emotional AC by means of self-report and by assessing the functioning of the major attention networks (executive control, orienting, and alerting). The participants then underwent a paradigm assessing fear extinction learning and extinction recall. The two components of the orienting network functioning (costs and benefits) were significantly associated with fear extinction gradient over and above the effects of trait anxiety. Specifically, participants with enhanced orienting costs (i.e., difficulties in disengaging attention from cues not relevant for the task) showed faster extinction learning, while those with enhanced orienting benefits (i.e., attention facilitated by valid cues) exhibited faster extinction recall as measured by fear-potentiated startle and Unconditioned Stimulus expectancies, respectively. Our findings suggest that, in non-emotional conditions, the orienting component of attention may be predictive of fear extinction. They also show that the use of fear extinction gradients and the exploration of individual differences in non-emotional AC (using performance-based measures of attentional network functioning) can provide a better understanding of individual differences in fear learning. Our findings also may help to understand differences in exposure therapy outcomes. PMID:29018384

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

PubMed

Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio

2017-09-12

Using the semiclassical neutral atom theory, we developed a modified fourth-order kinetic energy (KE) gradient expansion (GE4m) that keeps unchanged all the linear-response terms of the uniform electron gas and gives a significant improvement with respect to the known semilocal functionals for both large atoms and jellium surfaces. On the other hand, GE4m is not accurate for light atoms; thus, we modified the GE4m coefficients making them dependent on a novel ingredient, the reduced Hartree potential, recently introduced in the Journal of Chemical Physics 2016, 145, 084110, in the context of exchange functionals. The resulting KE gradient expansion functional, named uGE4m, belongs to the novel class of u-meta-generalized-gradient-approximations (uMGGA) whose members depend on the conventional ingredients (i.e., the reduced gradient and Laplacian of the density) as well as on the reduced Hartree potential. To test uGE4m, we defined an appropriate benchmark (including total KE and KE differences for atoms, molecules and jellium clusters) for gradient expansion functionals, that is, including only those systems which are mainly described by a slowly varying density regime. While most of the GGA and meta-GGA KE functionals (we tested 18 of them) are accurate for some properties and inaccurate for others, uGE4m shows a consistently good performance for all the properties considered. This represents a qualitative boost in the KE functional development and highlights the importance of the reduced Hartree potential for the construction of next-generation KE functionals.

Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

NASA Astrophysics Data System (ADS)

Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

2016-04-01

The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

Dimensional analysis yields the general second-order differential equation underlying many natural phenomena: the mathematical properties of a phenomenon's data plot then specify a unique differential equation for it.

PubMed

Kepner, Gordon R

2014-08-27

This study uses dimensional analysis to derive the general second-order differential equation that underlies numerous physical and natural phenomena described by common mathematical functions. It eschews assumptions about empirical constants and mechanisms. It relies only on the data plot's mathematical properties to provide the conditions and constraints needed to specify a second-order differential equation that is free of empirical constants for each phenomenon. A practical example of each function is analyzed using the general form of the underlying differential equation and the observable unique mathematical properties of each data plot, including boundary conditions. This yields a differential equation that describes the relationship among the physical variables governing the phenomenon's behavior. Complex phenomena such as the Standard Normal Distribution, the Logistic Growth Function, and Hill Ligand binding, which are characterized by data plots of distinctly different sigmoidal character, are readily analyzed by this approach. It provides an alternative, simple, unifying basis for analyzing each of these varied phenomena from a common perspective that ties them together and offers new insights into the appropriate empirical constants for describing each phenomenon.

Generalization between canonical and non-canonical views in object recognition

PubMed Central

Ghose, Tandra; Liu, Zili

2013-01-01

Viewpoint generalization in object recognition is the process that allows recognition of a given 3D object from many different viewpoints despite variations in its 2D projections. We used the canonical view effects as a foundation to empirically test the validity of a major theory in object recognition, the view-approximation model (Poggio & Edelman, 1990). This model predicts that generalization should be better when an object is first seen from a non-canonical view and then a canonical view than when seen in the reversed order. We also manipulated object similarity to study the degree to which this view generalization was constrained by shape details and task instructions (object vs. image recognition). Old-new recognition performance for basic and subordinate level objects was measured in separate blocks. We found that for object recognition, view generalization between canonical and non-canonical views was comparable for basic level objects. For subordinate level objects, recognition performance was more accurate from non-canonical to canonical views than the other way around. When the task was changed from object recognition to image recognition, the pattern of the results reversed. Interestingly, participants responded “old” to “new” images of “old” objects with a substantially higher rate than to “new” objects, despite instructions to the contrary, thereby indicating involuntary view generalization. Our empirical findings are incompatible with the prediction of the view-approximation theory, and argue against the hypothesis that views are stored independently. PMID:23283692

Partner symmetries of the complex Monge Ampère equation yield hyper-Kähler metrics without continuous symmetries

NASA Astrophysics Data System (ADS)

Malykh, A. A.; Nutku, Y.; Sheftel, M. B.

2003-10-01

We extend the Mason-Newman Lax pair for the elliptic complex Monge-Ampère equation so that this equation itself emerges as an algebraic consequence. We regard the function in the extended Lax equations as a complex potential. Their differential compatibility condition coincides with the determining equation for the symmetries of the complex Monge-Ampère equation. We shall identify the real and imaginary parts of the potential, which we call partner symmetries, with the translational and dilatational symmetry characteristics, respectively. Then we choose the dilatational symmetry characteristic as the new unknown replacing the Kähler potential. This directly leads to a Legendre transformation. Studying the integrability conditions of the Legendre-transformed system we arrive at a set of linear equations satisfied by a single real potential. This enables us to construct non-invariant solutions of the Legendre transform of the complex Monge-Ampère equation. Using these solutions we obtained explicit Legendre-transformed hyper-Kähler metrics with a anti-self-dual Riemann curvature 2-form that admit no Killing vectors. They satisfy the Einstein field equations with Euclidean signature. We give the detailed derivation of the solution announced earlier and present a new solution with an added parameter. We compare our method of partner symmetries for finding non-invariant solutions to that of Dunajski and Mason who use 'hidden' symmetries for the same purpose.

Bethe ansatz for two-magnon scattering states in 2D and 3D Heisenberg–Ising ferromagnets

NASA Astrophysics Data System (ADS)

Bibikov, P. N.

2018-04-01

Two different versions of Bethe ansatz are suggested for evaluation of scattering two-magnon states in 2D and 3D Heisenberg–Ising ferromagnets on square and simple cubic lattices. It is shown that the two-magnon sector is subdivided on two subsectors related to non-interacting and scattering magnons. The former subsector possess an integrable regular dynamics and may be described by a natural modification of the usual Bethe Ansatz. The latter one is characterized by a non-integrable chaotic dynamics and may be treated only within discrete degenerative version of Bethe Ansatz previously suggested by the author. Some of these results are generalized for multi-magnon states of the Heisenberg–Ising ferromagnet on a D dimensional hyper cubic lattice. Dedicated to the memory of L D Faddeev.

Unusual behavior by Bison, Bison bison, toward Elk, Cervus elaphus, and wolves, Canis lupus

USGS Publications Warehouse

Mech, L.D.; McIntyre, R.T.; Smith, D.W.

2004-01-01

Incidents are described of Bison (Bison bison) in Yellowstone National Park mauling and possibly killing a young Elk (Cervus elaphus) calf, chasing wolves (Canis lupus) off Elk they had just killed or were killing, and keeping the wolves away for extended periods. During one of the latter cases, the Bison knocked a wolf-wounded Elk down. Bison were also seen approaching wolves that were resting and sleeping, rousting them, following them to new resting places and repeating this behavior. These behaviors might represent some type of generalized hyper-defensiveness that functions as an anti-predator strategy.

Unusual behavior by bison, Bison bison, toward elk, Cervus elaphus, and wolves, Canis lupus

USGS Publications Warehouse

Mech, L.D.; McIntyre, R.T.; Smith, D.W.

2004-01-01

Incidents are described of bison (Bison bison) in Yellowstone National Park mauling and possibly killing a young elk (Cervus elaphus) calf, chasing wolves (Canis lupus) off elk they had just killed or were killing, and keeping the wolves away for extended periods. During one of the latter cases, the bison knocked a wolf-wounded elk down. Bison were also seen approaching wolves that were resting and sleeping, rousting them, following them to new resting places and repeating this behavior. These behaviors might represent some type of generalized hyper-defensiveness that functions as an anti-predator strategy.

Modelling Schumann resonances from ELF measurements using non-linear optimization methods

NASA Astrophysics Data System (ADS)

Castro, Francisco; Toledo-Redondo, Sergio; Fornieles, Jesús; Salinas, Alfonso; Portí, Jorge; Navarro, Enrique; Sierra, Pablo

2017-04-01

Schumann resonances (SR) can be found in planetary atmospheres, inside the cavity formed by the conducting surface of the planet and the lower ionosphere. They are a powerful tool to investigate both the electric processes that occur in the atmosphere and the characteristics of the surface and the lower ionosphere. In this study, the measurements are obtained in the ELF (Extremely Low Frequency) Juan Antonio Morente station located in the national park of Sierra Nevada. The three first modes, contained in the frequency band between 6 to 25 Hz, will be considered. For each time series recorded by the station, the amplitude spectrum was estimated by using Bartlett averaging. Then, the central frequencies and amplitudes of the SRs were obtained by fitting the spectrum with non-linear functions. In the poster, a study of nonlinear unconstrained optimization methods applied to the estimation of the Schumann Resonances will be presented. Non-linear fit, also known as optimization process, is the procedure followed in obtaining Schumann Resonances from the natural electromagnetic noise. The optimization methods that have been analysed are: Levenberg-Marquardt, Conjugate Gradient, Gradient, Newton and Quasi-Newton. The functions that the different methods fit to data are three lorentzian curves plus a straight line. Gaussian curves have also been considered. The conclusions of this study are outlined in the following paragraphs: i) Natural electromagnetic noise is better fitted using Lorentzian functions; ii) the measurement bandwidth can accelerate the convergence of the optimization method; iii) Gradient method has less convergence and has a highest mean squared error (MSE) between measurement and the fitted function, whereas Levenberg-Marquad, Gradient conjugate method and Cuasi-Newton method give similar results (Newton method presents higher MSE); v) There are differences in the MSE between the parameters that define the fit function, and an interval from 1% to 5% has been found.

A class of fractional differential hemivariational inequalities with application to contact problem

NASA Astrophysics Data System (ADS)

Zeng, Shengda; Liu, Zhenhai; Migorski, Stanislaw

2018-04-01

In this paper, we study a class of generalized differential hemivariational inequalities of parabolic type involving the time fractional order derivative operator in Banach spaces. We use the Rothe method combined with surjectivity of multivalued pseudomonotone operators and properties of the Clarke generalized gradient to establish existence of solution to the abstract inequality. As an illustrative application, a frictional quasistatic contact problem for viscoelastic materials with adhesion is investigated, in which the friction and contact conditions are described by the Clarke generalized gradient of nonconvex and nonsmooth functionals, and the constitutive relation is modeled by the fractional Kelvin-Voigt law.

Pathological Calcification and Ossification in Relation to Leriche and Policard's Theory

PubMed Central

Jones, Watson; Roberts, R. E.

1933-01-01

(1) Pathology of calcification and ossification.—The Leriche-Policard theories. Hyperæmia of bone causes decalcification. Reduced blood supply causes sclerosis. Diminution of vascularity of fibrous tissue causes calcification. Excess of calcium, adequate blood supply and fibroblasts give rise to bone anywhere. Subperiosteal ossification. “Myositis ossificans.” (2) Radiological significance of density of bone shadows.—Decalcification of disuse, of infections, of neoplasms. Traumatic and infective scquestra. Evidence that a fragment of bone is avascular. (3) Hyperæmic decalcification of bone.—Delayed and non-union of fractures. Kummel's disease. Spontaneous hyperæmic dislocation of the atlas. Hyperæmic decalcification and nephrolithiasis. (4) Anæmic sclerosis of bone.—Syphilitic bone disease. Malignant bone disease. Fragility of sclerosed bone—Paget's, Kienboch's, Kohler's and Panner's, Albers-Schönberg's diseases. (5) Pathological calcification.—Calcification of supraspinatus tendon. Calcification of tumours—angioma, hæmatoma, and thrombosed vessels, lipoma, cysts, etc. Calcification of semilunar cartilages and intervertebral discs. (6) Pathological ossification.—Ossification of tendons. Ossification of semilunar cartilages. PMID:19989304

Neutrophil hyper-responsiveness in periodontitis.

PubMed

Matthews, J B; Wright, H J; Roberts, A; Ling-Mountford, N; Cooper, P R; Chapple, I L C

2007-08-01

Peripheral neutrophil hyper-responsiveness in chronic periodontitis leads to excessive reactive oxygen species (ROS) production. We aimed to determine whether neutrophil hyper-responsiveness was constitutive or reactive, and to discover the effect of non-surgical therapy. Peripheral blood neutrophils from patients (n = 19), before and 3 months after therapy, and matched control individuals were Fc gamma-receptor-stimulated with/without priming with P. gingivalis and F. nucleatum. Total and extracellular ROS were determined by luminol/isoluminol chemiluminescence. The high total ROS generation of patients' neutrophils compared with that of control individuals (P = 0.016) continued at a reduced level post-therapy (P = 0.059). Reduced activity post-therapy was also seen with priming. Unstimulated total ROS levels did not differ between patients and control individuals before or after therapy. However, the high unstimulated, extracellular ROS production by patients' neutrophils compared with control individuals (P < 0.05) continued post-therapy and was unaffected by priming. Therapy reduced Fc gamma-receptor-stimulated total ROS production, but not unstimulated extracellular radical release, suggesting that constitutive and reactive mechanisms underlie neutrophil hyper-responsiveness.

Piecewise convexity of artificial neural networks.

PubMed

Rister, Blaine; Rubin, Daniel L

2017-10-01

Although artificial neural networks have shown great promise in applications including computer vision and speech recognition, there remains considerable practical and theoretical difficulty in optimizing their parameters. The seemingly unreasonable success of gradient descent methods in minimizing these non-convex functions remains poorly understood. In this work we offer some theoretical guarantees for networks with piecewise affine activation functions, which have in recent years become the norm. We prove three main results. First, that the network is piecewise convex as a function of the input data. Second, that the network, considered as a function of the parameters in a single layer, all others held constant, is again piecewise convex. Third, that the network as a function of all its parameters is piecewise multi-convex, a generalization of biconvexity. From here we characterize the local minima and stationary points of the training objective, showing that they minimize the objective on certain subsets of the parameter space. We then analyze the performance of two optimization algorithms on multi-convex problems: gradient descent, and a method which repeatedly solves a number of convex sub-problems. We prove necessary convergence conditions for the first algorithm and both necessary and sufficient conditions for the second, after introducing regularization to the objective. Finally, we remark on the remaining difficulty of the global optimization problem. Under the squared error objective, we show that by varying the training data, a single rectifier neuron admits local minima arbitrarily far apart, both in objective value and parameter space. Copyright © 2017 Elsevier Ltd. All rights reserved.

A trait-based approach to community assembly: partitioning of species trait values into within- and among-community components.

PubMed

Ackerly, D D; Cornwell, W K

2007-02-01

Plant functional traits vary both along environmental gradients and among species occupying similar conditions, creating a challenge for the synthesis of functional and community ecology. We present a trait-based approach that provides an additive decomposition of species' trait values into alpha and beta components: beta values refer to a species' position along a gradient defined by community-level mean trait values; alpha values are the difference between a species' trait values and the mean of co-occurring taxa. In woody plant communities of coastal California, beta trait values for specific leaf area, leaf size, wood density and maximum height all covary strongly, reflecting species distributions across a gradient of soil moisture availability. Alpha values, on the other hand, are generally not significantly correlated, suggesting several independent axes of differentiation within communities. This trait-based framework provides a novel approach to integrate functional ecology and gradient analysis with community ecology and coexistence theory.

An Empirical Analysis of Economic and Racial Bias in the Distribution of Educational Resources in Nine Large American Cities.

ERIC Educational Resources Information Center

Owen, John D.

Empirical evidence is presented consistent with the hypothesis that instructional expenditures are distributed unequally, and that less is spent on non-white and poor students than on others in large American cities. The most experienced teachers are generally to be found in schools attended by the less poor white children. More important, the…

Classification of AB O 3 perovskite solids: a machine learning study

DOE PAGES

Pilania, G.; Balachandran, P. V.; Gubernatis, J. E.; ...

2015-07-23

Here we explored the use of machine learning methods for classifying whether a particularABO 3chemistry forms a perovskite or non-perovskite structured solid. Starting with three sets of feature pairs (the tolerance and octahedral factors, theAandBionic radii relative to the radius of O, and the bond valence distances between theAandBions from the O atoms), we used machine learning to create a hyper-dimensional partial dependency structure plot using all three feature pairs or any two of them. Doing so increased the accuracy of our predictions by 2–3 percentage points over using any one pair. We also included the Mendeleev numbers of theAandBatomsmore » to this set of feature pairs. Moreover, doing this and using the capabilities of our machine learning algorithm, the gradient tree boosting classifier, enabled us to generate a new type of structure plot that has the simplicity of one based on using just the Mendeleev numbers, but with the added advantages of having a higher accuracy and providing a measure of likelihood of the predicted structure.« less

Global Existence Results for Viscoplasticity at Finite Strain

NASA Astrophysics Data System (ADS)

Mielke, Alexander; Rossi, Riccarda; Savaré, Giuseppe

2018-01-01

We study a model for rate-dependent gradient plasticity at finite strain based on the multiplicative decomposition of the strain tensor, and investigate the existence of global-in-time solutions to the related PDE system. We reveal its underlying structure as a generalized gradient system, where the driving energy functional is highly nonconvex and features the geometric nonlinearities related to finite-strain elasticity as well as the multiplicative decomposition of finite-strain plasticity. Moreover, the dissipation potential depends on the left-invariant plastic rate, and thus depends on the plastic state variable. The existence theory is developed for a class of abstract, nonsmooth, and nonconvex gradient systems, for which we introduce suitable notions of solutions, namely energy-dissipation-balance and energy-dissipation-inequality solutions. Hence, we resort to the toolbox of the direct method of the calculus of variations to check that the specific energy and dissipation functionals for our viscoplastic models comply with the conditions of the general theory.

Fire activity and severity in the western US vary along proxy gradients representing fuel amount and fuel moisture

Treesearch

Sean A. Parks; Marc-Andre Parisien; Carol Miller; Solomon Z. Dobrowski

2014-01-01

Numerous theoretical and empirical studies have shown that wildfire activity (e.g., area burned) at regional to global scales may be limited at the extremes of environmental gradients such as productivity or moisture. Fire activity, however, represents only one component of the fire regime, and no studies to date have characterized fire severity along such gradients....

Measuring Functional Creativity: Non-Expert Raters and the Creative Solution Diagnosis Scale

ERIC Educational Resources Information Center

Cropley, David H.; Kaufman, James C.

2012-01-01

The Creative Solution Diagnosis Scale (CSDS) is a 30-item scale based on a core of four criteria: Relevance & Effectiveness, Novelty, Elegance, and Genesis. The CSDS offers potential for the consensual assessment of functional product creativity. This article describes an empirical study in which non-expert judges rated a series of mousetrap…

Health inequality and non-monotonicity of the health related social welfare function.

PubMed

Dutta, Indranil

2007-03-01

In a recent paper in this journal Abasolo and Tsuchiya [Abasolo, I., Tsuchiya, A., 2004. Exploring social welfare functions and violation of monotonicity: an example from inequalities in health. Journal of Health Economics 23, 313-329] have strongly argued for the use of a non-monotonic health related social welfare function. This note discusses both the limitations of the measure proposed by Abasolo and Tsuchiya [Abasolo, I., Tsuchiya, A., 2004. Exploring social welfare functions and violation of monotonicity: an example from inequalities in health. Journal of Health Economics 23, 313-329] and the problems associated with their empirics. We are able to show how non-monotonicity may lead to paradoxical results and policies. Further we examine the empirics of Abasolo and Tsuchiya [Abasolo, I., Tsuchiya, A., 2004. Exploring social welfare functions and violation of monotonicity: an example from inequalities in health. Journal of Health Economics 23, 313-329] and provide an alternative explanation to the observed patterns in the data that do not violate monotonicity. Finally we briefly mention why the Atkinson-Sen framework may be more appropriate as a way forward.

Hyper-heuristic Evolution of Dispatching Rules: A Comparison of Rule Representations.

PubMed

Branke, Jürgen; Hildebrandt, Torsten; Scholz-Reiter, Bernd

2015-01-01

Dispatching rules are frequently used for real-time, online scheduling in complex manufacturing systems. Design of such rules is usually done by experts in a time consuming trial-and-error process. Recently, evolutionary algorithms have been proposed to automate the design process. There are several possibilities to represent rules for this hyper-heuristic search. Because the representation determines the search neighborhood and the complexity of the rules that can be evolved, a suitable choice of representation is key for a successful evolutionary algorithm. In this paper we empirically compare three different representations, both numeric and symbolic, for automated rule design: A linear combination of attributes, a representation based on artificial neural networks, and a tree representation. Using appropriate evolutionary algorithms (CMA-ES for the neural network and linear representations, genetic programming for the tree representation), we empirically investigate the suitability of each representation in a dynamic stochastic job shop scenario. We also examine the robustness of the evolved dispatching rules against variations in the underlying job shop scenario, and visualize what the rules do, in order to get an intuitive understanding of their inner workings. Results indicate that the tree representation using an improved version of genetic programming gives the best results if many candidate rules can be evaluated, closely followed by the neural network representation that already leads to good results for small to moderate computational budgets. The linear representation is found to be competitive only for extremely small computational budgets.

Features in chemical kinetics. III. Attracting subspaces in a hyper-spherical representation of the reactive system

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

Ceccato, Alessandro; Frezzato, Diego, E-mail: diego.frezzato@unipd.it; Nicolini, Paolo

In this work, we deal with general reactive systems involving N species and M elementary reactions under applicability of the mass-action law. Starting from the dynamic variables introduced in two previous works [P. Nicolini and D. Frezzato, J. Chem. Phys. 138(23), 234101 (2013); 138(23), 234102 (2013)], we turn to a new representation in which the system state is specified in a (N × M){sup 2}-dimensional space by a point whose coordinates have physical dimension of inverse-of-time. By adopting hyper-spherical coordinates (a set of dimensionless “angular” variables and a single “radial” one with physical dimension of inverse-of-time) and by examining themore » properties of their evolution law both formally and numerically on model kinetic schemes, we show that the system evolves towards the equilibrium as being attracted by a sequence of fixed subspaces (one at a time) each associated with a compact domain of the concentration space. Thus, we point out that also for general non-linear kinetics there exist fixed “objects” on the global scale, although they are conceived in such an abstract and extended space. Moreover, we propose a link between the persistence of the belonging of a trajectory to such subspaces and the closeness to the slow manifold which would be perceived by looking at the bundling of the trajectories in the concentration space.« less

Generalized fluid theory including non-Maxwellian kinetic effects

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

Izacard, Olivier

The results obtained by the plasma physics community for the validation and the prediction of turbulence and transport in magnetized plasmas come mainly from the use of very central processing unit (CPU)-consuming particle-in-cell or (gyro)kinetic codes which naturally include non-Maxwellian kinetic effects. To date, fluid codes are not considered to be relevant for the description of these kinetic effects. Here, after revisiting the limitations of the current fluid theory developed in the 19th century, we generalize the fluid theory including kinetic effects such as non-Maxwellian super-thermal tails with as few fluid equations as possible. The collisionless and collisional fluid closuresmore » from the nonlinear Landau Fokker–Planck collision operator are shown for an arbitrary collisionality. Indeed, the first fluid models associated with two examples of collisionless fluid closures are obtained by assuming an analytic non-Maxwellian distribution function. One of the main differences with the literature is our analytic representation of the distribution function in the velocity phase space with as few hidden variables as possible thanks to the use of non-orthogonal basis sets. These new non-Maxwellian fluid equations could initiate the next generation of fluid codes including kinetic effects and can be expanded to other scientific disciplines such as astrophysics, condensed matter or hydrodynamics. As a validation test, we perform a numerical simulation based on a minimal reduced INMDF fluid model. The result of this test is the discovery of the origin of particle and heat diffusion. The diffusion is due to the competition between a growing INMDF on short time scales due to spatial gradients and the thermalization on longer time scales. Here, the results shown here could provide the insights to break some of the unsolved puzzles of turbulence.« less

Generalized fluid theory including non-Maxwellian kinetic effects

DOE PAGES

Izacard, Olivier

2017-03-29

The results obtained by the plasma physics community for the validation and the prediction of turbulence and transport in magnetized plasmas come mainly from the use of very central processing unit (CPU)-consuming particle-in-cell or (gyro)kinetic codes which naturally include non-Maxwellian kinetic effects. To date, fluid codes are not considered to be relevant for the description of these kinetic effects. Here, after revisiting the limitations of the current fluid theory developed in the 19th century, we generalize the fluid theory including kinetic effects such as non-Maxwellian super-thermal tails with as few fluid equations as possible. The collisionless and collisional fluid closuresmore » from the nonlinear Landau Fokker–Planck collision operator are shown for an arbitrary collisionality. Indeed, the first fluid models associated with two examples of collisionless fluid closures are obtained by assuming an analytic non-Maxwellian distribution function. One of the main differences with the literature is our analytic representation of the distribution function in the velocity phase space with as few hidden variables as possible thanks to the use of non-orthogonal basis sets. These new non-Maxwellian fluid equations could initiate the next generation of fluid codes including kinetic effects and can be expanded to other scientific disciplines such as astrophysics, condensed matter or hydrodynamics. As a validation test, we perform a numerical simulation based on a minimal reduced INMDF fluid model. The result of this test is the discovery of the origin of particle and heat diffusion. The diffusion is due to the competition between a growing INMDF on short time scales due to spatial gradients and the thermalization on longer time scales. Here, the results shown here could provide the insights to break some of the unsolved puzzles of turbulence.« less

Solid state temperature-dependent NUC (non-uniformity correction) in uncooled LWIR (long-wave infrared) imaging system

NASA Astrophysics Data System (ADS)

Cao, Yanpeng; Tisse, Christel-Loic

2013-06-01

In uncooled LWIR microbolometer imaging systems, temperature fluctuations of FPA (Focal Plane Array) as well as lens and mechanical components placed along the optical path result in thermal drift and spatial non-uniformity. These non-idealities generate undesirable FPN (Fixed-Pattern-Noise) that is difficult to remove using traditional, individual shutterless and TEC-less (Thermo-Electric Cooling) techniques. In this paper we introduce a novel single-image based processing approach that marries the benefits of both statistical scene-based and calibration-based NUC algorithms, without relying neither on extra temperature reference nor accurate motion estimation, to compensate the resulting temperature-dependent non-uniformities. Our method includes two subsequent image processing steps. Firstly, an empirical behavioral model is derived by calibrations to characterize the spatio-temporal response of the microbolometric FPA to environmental and scene temperature fluctuations. Secondly, we experimentally establish that the FPN component caused by the optics creates a spatio-temporally continuous, low frequency, low-magnitude variation of the image intensity. We propose to make use of this property and learn a prior on the spatial distribution of natural image gradients to infer the correction function for the entire image. The performance and robustness of the proposed temperature-adaptive NUC method are demonstrated by showing results obtained from a 640×512 pixels uncooled LWIR microbolometer imaging system operating over a broad range of temperature and with rapid environmental temperature changes (i.e. from -5°C to 65°C within 10 minutes).

Dynamic and Thermal Turbulent Time Scale Modelling for Homogeneous Shear Flows

NASA Technical Reports Server (NTRS)

Schwab, John R.; Lakshminarayana, Budugur

1994-01-01

A new turbulence model, based upon dynamic and thermal turbulent time scale transport equations, is developed and applied to homogeneous shear flows with constant velocity and temperature gradients. The new model comprises transport equations for k, the turbulent kinetic energy; tau, the dynamic time scale; k(sub theta), the fluctuating temperature variance; and tau(sub theta), the thermal time scale. It offers conceptually parallel modeling of the dynamic and thermal turbulence at the two equation level, and eliminates the customary prescription of an empirical turbulent Prandtl number, Pr(sub t), thus permitting a more generalized prediction capability for turbulent heat transfer in complex flows and geometries. The new model also incorporates constitutive relations, based upon invariant theory, that allow the effects of nonequilibrium to modify the primary coefficients for the turbulent shear stress and heat flux. Predictions of the new model, along with those from two other similar models, are compared with experimental data for decaying homogeneous dynamic and thermal turbulence, homogeneous turbulence with constant temperature gradient, and homogeneous turbulence with constant temperature gradient and constant velocity gradient. The new model offers improvement in agreement with the data for most cases considered in this work, although it was no better than the other models for several cases where all the models performed poorly.

Isotropic C6, C8 and C10 interaction coefficients for CH 4, C 2H 6, C 3H 8, n-C 4H 10 and cyclo- C3H 6

NASA Astrophysics Data System (ADS)

Thomas, Gerald F.; Mulder, Fred; Meath, William J.

1980-12-01

The non-empirical generalized Kirkwood, Unsöld, and the single-Δ Unsöld methods (with double-zeta quality SCF wave-functions) are used to calculate isotropic dispersion (and induction) energy coefficients C2n, with n ⩽ 5, for interactions involving ground state CH 4, C 2H 6, C 3H 8, n-C 4H 10 and cyclo-C 3H 6. Results are also given for the related multipole polarizabilities α l, multipole sums S1/(0) and S1(-1) which are evaluated using sum rules, and the permanent multipole moments. for l = 1 (dipole) to l = 3 (octupole). Estimates of the reliability of the non-empirical methods, for the type of molecules considered, are obtained by a comparison with accurate literature values of α 1S1(-1) and C6. This, and the asymptotic properties of the multipolar expansion of the dispersion energy, the use to discuss recommended representation for the isotropic long range interaction energies through R-10 where R is the intermolecular separation.

Putting brain training to the test.

PubMed

Owen, Adrian M; Hampshire, Adam; Grahn, Jessica A; Stenton, Robert; Dajani, Said; Burns, Alistair S; Howard, Robert J; Ballard, Clive G

2010-06-10

'Brain training', or the goal of improved cognitive function through the regular use of computerized tests, is a multimillion-pound industry, yet in our view scientific evidence to support its efficacy is lacking. Modest effects have been reported in some studies of older individuals and preschool children, and video-game players outperform non-players on some tests of visual attention. However, the widely held belief that commercially available computerized brain-training programs improve general cognitive function in the wider population in our opinion lacks empirical support. The central question is not whether performance on cognitive tests can be improved by training, but rather, whether those benefits transfer to other untrained tasks or lead to any general improvement in the level of cognitive functioning. Here we report the results of a six-week online study in which 11,430 participants trained several times each week on cognitive tasks designed to improve reasoning, memory, planning, visuospatial skills and attention. Although improvements were observed in every one of the cognitive tasks that were trained, no evidence was found for transfer effects to untrained tasks, even when those tasks were cognitively closely related.

Multiobjective hyper heuristic scheme for system design and optimization

NASA Astrophysics Data System (ADS)

Rafique, Amer Farhan

2012-11-01

As system design is becoming more and more multifaceted, integrated, and complex, the traditional single objective optimization trends of optimal design are becoming less and less efficient and effective. Single objective optimization methods present a unique optimal solution whereas multiobjective methods present pareto front. The foremost intent is to predict a reasonable distributed pareto-optimal solution set independent of the problem instance through multiobjective scheme. Other objective of application of intended approach is to improve the worthiness of outputs of the complex engineering system design process at the conceptual design phase. The process is automated in order to provide the system designer with the leverage of the possibility of studying and analyzing a large multiple of possible solutions in a short time. This article presents Multiobjective Hyper Heuristic Optimization Scheme based on low level meta-heuristics developed for the application in engineering system design. Herein, we present a stochastic function to manage meta-heuristics (low-level) to augment surety of global optimum solution. Generic Algorithm, Simulated Annealing and Swarm Intelligence are used as low-level meta-heuristics in this study. Performance of the proposed scheme is investigated through a comprehensive empirical analysis yielding acceptable results. One of the primary motives for performing multiobjective optimization is that the current engineering systems require simultaneous optimization of conflicting and multiple. Random decision making makes the implementation of this scheme attractive and easy. Injecting feasible solutions significantly alters the search direction and also adds diversity of population resulting in accomplishment of pre-defined goals set in the proposed scheme.

Wind-Tunnel Results of the B-52B with the X-43A Stack

NASA Technical Reports Server (NTRS)

Davis, Mark C.; Sim, Alexander G.; Rhode, Matthew; Johnson, Kevin D., Sr.

2007-01-01

A low-speed wind-tunnel test was performed with a 3%-scale model of a booster rocket mated to an X-43A research vehicle, a combination referred to as the Hyper-X launch vehicle. The test was conducted both in freestream air and in the presence of a partial model of the B-52B airplane. The objectives of the test were to obtain force and moment data to generate structural loads affecting the pylon of the B-52B airplane and to determine the aerodynamic influence of the B-52B on the Hyper-X launch vehicle for evaluating launch separation characteristics. The windtunnel test was conducted at a low-speed wind tunnel in Hampton, Virginia. All moments and forces reported are based either on the aerodynamic influence of the B-52B airplane or are for the Hyper-X launch vehicle in freestream air. Overall, the test showed that the B-52B airplane imparts a strong downwash onto the Hyper-X launch vehicle, reducing the net lift of the Hyper-X launch vehicle. Pitching and rolling moments are also imparted onto the booster and are a strong function of the launch-drop angle of attack.

Parallel heat transport in integrable and chaotic magnetic fields

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

Del-Castillo-Negrete, Diego B; Chacon, Luis

2012-01-01

The study of transport in magnetized plasmas is a problem of fundamental interest in controlled fusion, space plasmas, and astrophysics research. Three issues make this problem particularly chal- lenging: (i) The extreme anisotropy between the parallel (i.e., along the magnetic field), , and the perpendicular, , conductivities ( / may exceed 1010 in fusion plasmas); (ii) Magnetic field lines chaos which in general complicates (and may preclude) the construction of magnetic field line coordinates; and (iii) Nonlocal parallel transport in the limit of small collisionality. Motivated by these issues, we present a Lagrangian Green s function method to solve themore » local and non-local parallel transport equation applicable to integrable and chaotic magnetic fields in arbitrary geom- etry. The method avoids by construction the numerical pollution issues of grid-based algorithms. The potential of the approach is demonstrated with nontrivial applications to integrable (magnetic island chain), weakly chaotic (devil s staircase), and fully chaotic magnetic field configurations. For the latter, numerical solutions of the parallel heat transport equation show that the effective radial transport, with local and non-local closures, is non-diffusive, thus casting doubts on the appropriateness of the applicability of quasilinear diffusion descriptions. General conditions for the existence of non-diffusive, multivalued flux-gradient relations in the temperature evolution are derived.« less

[Quantitative relationships between hyper-spectral vegetation indices and leaf area index of rice].

PubMed

Tian, Yong-Chao; Yang, Jie; Yao, Xia; Zhu, Yan; Cao, Wei-Xing

2009-07-01

Based on field experiments with different rice varieties under different nitrogen application levels, the quantitative relationships of rice leaf area index (LAI) with canopy hyper-spectral parameters at different growth stages were analyzed. Rice LAI had good relationships with several hyper-spectral vegetation indices, the correlation coefficient being the highest with DI (difference index), followed by with RI (ratio index), and NI (normalized index), based on the spectral reflectance or the first derivative spectra. The two best spectral indices for estimating LAI were the difference index DI (854, 760) (based on two spectral bands of 850 nm and 760 nm) and the difference index DI (D676, D778) (based on two first derivative bands of 676 nm and 778 nm). In general, the hyper-spectral vegetation indices based on spectral reflectance performed better than the spectral indices based on the first derivative spectra. The tests with independent dataset suggested that the rice LAI monitoring models with difference index DI (854,760) as the variable could give an accurate LAI estimation, being available for estimation of rice LAI.

“Measure Your Gradient”: A New Way to Measure Gradients in High Performance Liquid Chromatography by Mass Spectrometric or Absorbance Detection

PubMed Central

Magee, Megan H.; Manulik, Joseph C.; Barnes, Brian B.; Abate-Pella, Daniel; Hewitt, Joshua T.; Boswell, Paul G.

2014-01-01

The gradient produced by an HPLC is never the same as the one it is programmed to produce, but non-idealities in the gradient can be taken into account if they are measured. Such measurements are routine, yet only one general approach has been described to make them: both HPLC solvents are replaced with water, solvent B is spiked with 0.1% acetone, and the gradient is measured by UV absorbance. Despite the widespread use of this procedure, we found a number of problems and complications with it, mostly stemming from the fact that it measures the gradient under abnormal conditions (e.g. both solvents are water). It is also generally not amenable to MS detection, leaving those with only an MS detector no way to accurately measure their gradients. We describe a new approach called “Measure Your Gradient” that potentially solves these problems. One runs a test mixture containing 20 standards on a standard stationary phase and enters their gradient retention times into open-source software available at www.measureyourgradient.org. The software uses the retention times to back-calculate the gradient that was truly produced by the HPLC. Here we present a preliminary investigation of the new approach. We found that gradients measured this way are comparable to those measured by a more accurate, albeit impractical, version of the conventional approach. The new procedure worked with different gradients, flow rates, column lengths, inner diameters, on two different HPLCs, and with six different batches of the standard stationary phase. PMID:25441073

Structural optimization of framed structures using generalized optimality criteria

NASA Technical Reports Server (NTRS)

Kolonay, R. M.; Venkayya, Vipperla B.; Tischler, V. A.; Canfield, R. A.

1989-01-01

The application of a generalized optimality criteria to framed structures is presented. The optimality conditions, Lagrangian multipliers, resizing algorithm, and scaling procedures are all represented as a function of the objective and constraint functions along with their respective gradients. The optimization of two plane frames under multiple loading conditions subject to stress, displacement, generalized stiffness, and side constraints is presented. These results are compared to those found by optimizing the frames using a nonlinear mathematical programming technique.

Optimal Averages for Nonlinear Signal Decompositions - Another Alternative for Empirical Mode Decomposition

DTIC Science & Technology

2014-10-01

nonlinear and non-stationary signals. It aims at decomposing a signal, via an iterative sifting procedure, into several intrinsic mode functions ...stationary signals. It aims at decomposing a signal, via an iterative sifting procedure into several intrinsic mode functions (IMFs), and each of the... function , optimization. 1 Introduction It is well known that nonlinear and non-stationary signal analysis is important and difficult. His- torically

Constraining Gas Diffusivity-Soil Water Content Relationships in Forest Soils Using Surface Chamber Fluxes and Depth Profiles of Multiple Trace Gases

NASA Astrophysics Data System (ADS)

Dore, J. E.; Kaiser, K.; Seybold, E. C.; McGlynn, B. L.

2012-12-01

Forest soils are sources of carbon dioxide (CO2) to the atmosphere and can act as either sources or sinks of methane (CH4) and nitrous oxide (N2O), depending on redox conditions and other factors. Soil moisture is an important control on microbial activity, redox conditions and gas diffusivity. Direct chamber measurements of soil-air CO2 fluxes are facilitated by the availability of sensitive, portable infrared sensors; however, corresponding CH4 and N2O fluxes typically require the collection of time-course physical samples from the chamber with subsequent analyses by gas chromatography (GC). Vertical profiles of soil gas concentrations may also be used to derive CH4 and N2O fluxes by the gradient method; this method requires much less time and many fewer GC samples than the direct chamber method, but requires that effective soil gas diffusivities are known. In practice, soil gas diffusivity is often difficult to accurately estimate using a modeling approach. In our study, we apply both the chamber and gradient methods to estimate soil trace gas fluxes across a complex Rocky Mountain forested watershed in central Montana. We combine chamber flux measurements of CO2 (by infrared sensor) and CH4 and N2O (by GC) with co-located soil gas profiles to determine effective diffusivity in soil for each gas simultaneously, over-determining the diffusion equations and providing constraints on both the chamber and gradient methodologies. We then relate these soil gas diffusivities to soil type and volumetric water content in an effort to arrive at empirical parameterizations that may be used to estimate gas diffusivities across the watershed, thereby facilitating more accurate, frequent and widespread gradient-based measurements of trace gas fluxes across our study system. Our empirical approach to constraining soil gas diffusivity is well suited for trace gas flux studies over complex landscapes in general.

An Empirical Model of Radiation Belt Electron Pitch Angle Distributions Based On Van Allen Probes Measurements

NASA Astrophysics Data System (ADS)

Zhao, H.; Friedel, R. H. W.; Chen, Y.; Reeves, G. D.; Baker, D. N.; Li, X.; Jaynes, A. N.; Kanekal, S. G.; Claudepierre, S. G.; Fennell, J. F.; Blake, J. B.; Spence, H. E.

2018-05-01

Based on over 4 years of Van Allen Probes measurements, an empirical model of radiation belt electron equatorial pitch angle distribution (PAD) is constructed. The model, developed by fitting electron PADs with Legendre polynomials, provides the statistical PADs as a function of L-shell (L = 1-6), magnetic local time, electron energy ( 30 keV to 5.2 MeV), and geomagnetic activity (represented by the Dst index) and is also the first empirical PAD model in the inner belt and slot region. For megaelectron volt electrons, model results show more significant day-night PAD asymmetry of electrons with higher energies and during disturbed times, which is caused by geomagnetic field configuration and flux radial gradient changes. Steeper PADs with higher fluxes around 90° pitch angle and lower fluxes at lower pitch angles for higher-energy electrons and during active times are also present, which could be due to electromagnetic ion cyclotron wave scattering. For hundreds of kiloelectron volt electrons, cap PADs are generally present in the slot region during quiet times and their energy-dependent features are consistent with hiss wave scattering, while during active times, cap PADs are less significant especially at outer part of slot region, which could be due to the complex energizing and transport processes. The 90°-minimum PADs are persistently present in the inner belt and appear in the slot region during active times, and minima at 90° pitch angle are more significant for electrons with higher energies, which could be a critical evidence in identifying the underlying physical processes responsible for the formation of 90°-minimum PADs.

Modelling Stream-Fish Functional Traits in Reference Conditions: Regional and Local Environmental Correlates

PubMed Central

Oliveira, João M.; Segurado, Pedro; Santos, José M.; Teixeira, Amílcar; Ferreira, Maria T.; Cortes, Rui V.

2012-01-01

Identifying the environmental gradients that control the functional structure of biological assemblages in reference conditions is fundamental to help river management and predict the consequences of anthropogenic stressors. Fish metrics (density of ecological guilds, and species richness) from 117 least disturbed stream reaches in several western Iberia river basins were modelled with generalized linear models in order to investigate the importance of regional- and local-scale abiotic gradients to variation in functional structure of fish assemblages. Functional patterns were primarily associated with regional features, such as catchment elevation and slope, rainfall, and drainage area. Spatial variations of fish guilds were thus associated with broad geographic gradients, showing (1) pronounced latitudinal patterns, affected mainly by climatic factors and topography, or (2) at the basin level, strong upstream-downstream patterns related to stream position in the longitudinal gradient. Maximum native species richness was observed in midsize streams in accordance with the river continuum concept. The findings of our study emphasized the need to use a multi-scale approach in order to fully assess the factors that govern the functional organization of biotic assemblages in ‘natural’ streams, as well as to improve biomonitoring and restoration of fluvial ecosystems. PMID:23029242

U(1) current from the AdS/CFT: diffusion, conductivity and causality

NASA Astrophysics Data System (ADS)

Bu, Yanyan; Lublinsky, Michael; Sharon, Amir

2016-04-01

For a holographically defined finite temperature theory, we derive an off-shell constitutive relation for a global U(1) current driven by a weak external non-dynamical electromagnetic field. The constitutive relation involves an all order gradient expansion resummed into three momenta-dependent transport coefficient functions: diffusion, electric conductivity, and "magnetic" conductivity. These transport functions are first computed analytically in the hydrodynamic limit, up to third order in the derivative expansion, and then numerically for generic values of momenta. We also compute a diffusion memory function, which, as a result of all order gradient resummation, is found to be causal.

Stochastic estimates of gradient from laser measurements for an autonomous Martian roving vehicle

NASA Technical Reports Server (NTRS)

Burger, P. A.

1973-01-01

The general problem of estimating the state vector x from the state equation h = Ax where h, A, and x are all stochastic, is presented. Specifically, the problem is for an autonomous Martian roving vehicle to utilize laser measurements in estimating the gradient of the terrain. Error exists due to two factors - surface roughness and instrumental measurements. The errors in slope depend on the standard deviations of these noise factors. Numerically, the error in gradient is expressed as a function of instrumental inaccuracies. Certain guidelines for the accuracy of permissable gradient must be set. It is found that present technology can meet these guidelines.

Discontinuous Skeletal Gradient Discretisation methods on polytopal meshes

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

Di Pietro, Daniele A.; Droniou, Jérôme; Manzini, Gianmarco

Here, in this work we develop arbitrary-order Discontinuous Skeletal Gradient Discretisations (DSGD) on general polytopal meshes. Discontinuous Skeletal refers to the fact that the globally coupled unknowns are broken polynomials on the mesh skeleton. The key ingredient is a high-order gradient reconstruction composed of two terms: (i) a consistent contribution obtained mimicking an integration by parts formula inside each element and (ii) a stabilising term for which sufficient design conditions are provided. An example of stabilisation that satisfies the design conditions is proposed based on a local lifting of high-order residuals on a Raviart–Thomas–Nédélec subspace. We prove that the novelmore » DSGDs satisfy coercivity, consistency, limit-conformity, and compactness requirements that ensure convergence for a variety of elliptic and parabolic problems. Lastly, links with Hybrid High-Order, non-conforming Mimetic Finite Difference and non-conforming Virtual Element methods are also studied. Numerical examples complete the exposition.« less

Discontinuous Skeletal Gradient Discretisation methods on polytopal meshes

DOE PAGES

Di Pietro, Daniele A.; Droniou, Jérôme; Manzini, Gianmarco

2017-11-21

Here, in this work we develop arbitrary-order Discontinuous Skeletal Gradient Discretisations (DSGD) on general polytopal meshes. Discontinuous Skeletal refers to the fact that the globally coupled unknowns are broken polynomials on the mesh skeleton. The key ingredient is a high-order gradient reconstruction composed of two terms: (i) a consistent contribution obtained mimicking an integration by parts formula inside each element and (ii) a stabilising term for which sufficient design conditions are provided. An example of stabilisation that satisfies the design conditions is proposed based on a local lifting of high-order residuals on a Raviart–Thomas–Nédélec subspace. We prove that the novelmore » DSGDs satisfy coercivity, consistency, limit-conformity, and compactness requirements that ensure convergence for a variety of elliptic and parabolic problems. Lastly, links with Hybrid High-Order, non-conforming Mimetic Finite Difference and non-conforming Virtual Element methods are also studied. Numerical examples complete the exposition.« less

Non-singular spherical harmonic expressions of geomagnetic vector and gradient tensor fields in the local north-oriented reference frame

NASA Astrophysics Data System (ADS)

Du, J.; Chen, C.; Lesur, V.; Wang, L.

2014-12-01

General expressions of magnetic vector (MV) and magnetic gradient tensor (MGT) in terms of the first- and second-order derivatives of spherical harmonics at different degrees and orders, are relatively complicated and singular at the poles. In this paper, we derived alternative non-singular expressions for the MV, the MGT and also the higher-order partial derivatives of the magnetic field in local north-oriented reference frame. Using our newly derived formulae, the magnetic potential, vector and gradient tensor fields at an altitude of 300 km are calculated based on a global lithospheric magnetic field model GRIMM_L120 (version 0.0) and the main magnetic field model of IGRF11. The corresponding results at the poles are discussed and the validity of the derived formulas is verified using the Laplace equation of the potential field.

Identifying Time Periods of Minimal Thermal Gradient for Temperature-Driven Structural Health Monitoring

PubMed Central

Reilly, John; Glisic, Branko

2018-01-01

Temperature changes play a large role in the day to day structural behavior of structures, but a smaller direct role in most contemporary Structural Health Monitoring (SHM) analyses. Temperature-Driven SHM will consider temperature as the principal driving force in SHM, relating a measurable input temperature to measurable output generalized strain (strain, curvature, etc.) and generalized displacement (deflection, rotation, etc.) to create three-dimensional signatures descriptive of the structural behavior. Identifying time periods of minimal thermal gradient provides the foundation for the formulation of the temperature–deformation–displacement model. Thermal gradients in a structure can cause curvature in multiple directions, as well as non-linear strain and stress distributions within the cross-sections, which significantly complicates data analysis and interpretation, distorts the signatures, and may lead to unreliable conclusions regarding structural behavior and condition. These adverse effects can be minimized if the signatures are evaluated at times when thermal gradients in the structure are minimal. This paper proposes two classes of methods based on the following two metrics: (i) the range of raw temperatures on the structure, and (ii) the distribution of the local thermal gradients, for identifying time periods of minimal thermal gradient on a structure with the ability to vary the tolerance of acceptable thermal gradients. The methods are tested and validated with data collected from the Streicker Bridge on campus at Princeton University. PMID:29494496

Identifying Time Periods of Minimal Thermal Gradient for Temperature-Driven Structural Health Monitoring.

PubMed

Reilly, John; Glisic, Branko

2018-03-01

Temperature changes play a large role in the day to day structural behavior of structures, but a smaller direct role in most contemporary Structural Health Monitoring (SHM) analyses. Temperature-Driven SHM will consider temperature as the principal driving force in SHM, relating a measurable input temperature to measurable output generalized strain (strain, curvature, etc.) and generalized displacement (deflection, rotation, etc.) to create three-dimensional signatures descriptive of the structural behavior. Identifying time periods of minimal thermal gradient provides the foundation for the formulation of the temperature-deformation-displacement model. Thermal gradients in a structure can cause curvature in multiple directions, as well as non-linear strain and stress distributions within the cross-sections, which significantly complicates data analysis and interpretation, distorts the signatures, and may lead to unreliable conclusions regarding structural behavior and condition. These adverse effects can be minimized if the signatures are evaluated at times when thermal gradients in the structure are minimal. This paper proposes two classes of methods based on the following two metrics: (i) the range of raw temperatures on the structure, and (ii) the distribution of the local thermal gradients, for identifying time periods of minimal thermal gradient on a structure with the ability to vary the tolerance of acceptable thermal gradients. The methods are tested and validated with data collected from the Streicker Bridge on campus at Princeton University.

Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form

DOE PAGES

Jónsson, Elvar Örn; Lehtola, Susi; Jónsson, Hannes

2015-06-01

Results of Perdew–Zunger self-interaction corrected (PZ-SIC) density functional theory calculations of the atomization energy of 35 molecules are compared to those of high-level quantum chemistry calculations. While the PBE functional, which is commonly used in calculations of condensed matter, is known to predict on average too high atomization energy (overbinding of the molecules), the application of PZ-SIC gives a large overcorrection and leads to significant underestimation of the atomization energy. The exchange enhancement factor that is optimal for the generalized gradient approximation within the Kohn-Sham (KS) approach may not be optimal for the self-interaction corrected functional. The PBEsol functional, wheremore » the exchange enhancement factor was optimized for solids, gives poor results for molecules in KS but turns out to work better than PBE in PZ-SIC calculations. The exchange enhancement is weaker in PBEsol and the functional is closer to the local density approximation. Furthermore, the drop in the exchange enhancement factor for increasing reduced gradient in the PW91 functional gives more accurate results than the plateaued enhancement in the PBE functional. A step towards an optimal exchange enhancement factor for a gradient dependent functional of the PZ-SIC form is taken by constructing an exchange enhancement factor that mimics PBEsol for small values of the reduced gradient, and PW91 for large values. The average atomization energy is then in closer agreement with the high-level quantum chemistry calculations, but the variance is still large, the F 2 molecule being a notable outlier.« less

Remote Acoustic Imaging of Geosynchronous Satellites

NASA Astrophysics Data System (ADS)

Watson, Z.; Hart, M.

Identification and characterization of orbiting objects that are not spatially resolved are challenging problems for traditional remote sensing methods. Hyper temporal imaging, enabled by fast, low-noise electro-optical detectors is a new sensing modality which may allow the direct detection of acoustic resonances on satellites enabling a new regime of signature and state detection. Detectable signatures may be caused by the oscillations of solar panels, high-gain antennae, or other on-board subsystems driven by thermal gradients, fluctuations in solar radiation pressure, worn reaction wheels, or orbit maneuvers. Herein we present the first hyper-temporal observations of geosynchronous satellites. Data were collected at the Kuiper 1.54-meter telescope in Arizona using an experimental dual-channel imaging instrument that simultaneously measures light in two orthogonally polarized beams at sampling rates extending up to 1 kHz. In these observations, we see evidence of acoustic resonances in the polarization state of satellites. The technique is expected to support object identification and characterization of on-board components and to act as a discriminant between active satellites, debris, and passive bodies.

An inverse problem strategy based on forward model evaluations: Gradient-based optimization without adjoint solves

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

Aguilo Valentin, Miguel Alejandro

2016-07-01

This study presents a new nonlinear programming formulation for the solution of inverse problems. First, a general inverse problem formulation based on the compliance error functional is presented. The proposed error functional enables the computation of the Lagrange multipliers, and thus the first order derivative information, at the expense of just one model evaluation. Therefore, the calculation of the Lagrange multipliers does not require the solution of the computationally intensive adjoint problem. This leads to significant speedups for large-scale, gradient-based inverse problems.

Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.

PubMed

Wong, Z C; Fan, W Y; Chwee, T S; Sullivan, Michael B

2017-08-09

Fluorescence lifetimes were evaluated using TD-DFT under different approximations for the emitting molecule and various exchange-correlation functionals, such as B3LYP, BMK, CAM-B3LYP, LC-BLYP, M06, M06-2X, M11, PBE0, ωB97, ωB97X, LC-BLYP*, and ωB97X* where the range-separation parameters in the last two functionals were tuned in a non-empirical fashion. Changes in the optimised molecular geometries between the ground and electronically excited states were found to affect the quality of the calculated lifetimes significantly, while the inclusion of vibronic features led to further improvements over the assumption of a vertical electronic transition. The LC-BLYP* functional was found to return the most accurate fluorescence lifetimes with unsigned errors that are mostly within 1.5 ns of experimental values.

Trailing edge flow conditions as a factor in airfoil design

NASA Technical Reports Server (NTRS)

Ormsbee, A. I.; Maughmer, M. D.

1984-01-01

Some new developments relevant to the design of single-element airfoils using potential flow methods are presented. In particular, the role played by the non-dimensional trailing edge velocity in design is considered and the relationship between the specified value and the resulting airfoil geometry is explored. In addition, the ramifications of the unbounded trailing edge pressure gradients generally present in the potential flow solution of the flow over an airfoil are examined, and the conditions necessary to obtain a class of airfoils having finite trailing edge pressure gradients developed. The incorporation of these conditions into the inverse method of Eppler is presented and the modified scheme employed to generate a number of airfoils for consideration. The detailed viscous analysis of airfoils having finite trailing edge pressure gradients demonstrates a reduction in the strong inviscid-viscid interactions generally present near the trailing edge of an airfoil.

Smagorinsky-type diffusion in a high-resolution GCM

NASA Astrophysics Data System (ADS)

Schaefer-Rolffs, Urs; Becker, Erich

2013-04-01

The parametrization of the (horizontal) momentum diffusion is a paramount component of a Global Circulation Model (GCM). Aside from friction in the boundary layer, a relevant fraction of kinetic energy is dissipated in the free atmosphere, and it is known that a linear harmonic turbulence model is not sufficient to obtain a reasonable simulation of the kinetic energy spectrum. Therefore, often empirical hyper-diffusion schemes are employed, regardless of disadvantages like the violation of energy conservation and the second law of thermodynamics. At IAP we have developed an improved parametrization of the horizontal diffusion that is based on Smagorinsky's nonlinear and energy conservation formulation. This approach is extended by the dynamic Smagorinsky model (DSM) of M. Germano. In this new scheme, the mixing length is no longer a prescribed parameter but calculated dynamically from the resolved flow such as to preserve scale invariance for the horizontal energy cascade. The so-called Germano identity is solved by a tensor norm ansatz which yields a positive definite frictional heating. We present results from an investigation using the DSM as a parametrization of horizontal diffusion in a high-resolution version of the Kühlungborn Mechanistic general Circulation Model (KMCM) with spectral truncation at horizontal wavenumber 330. The DSM calculates the Smagorinsky parameter cS independent from the resolution scale. We find that this method yields an energy spectrum that exhibits a pronounced transition from a synoptic -3 to a mesoscale -5-3 slope at wavenumbers around 50. At the highest wavenumber end, a behaviour similar to that often obtained by tuning the hyper-diffusion is achieved self-consistently. This result is very sensitive to the explicit choice of the test filter in the DSM.

Improving the FLORIS wind plant model for compatibility with gradient-based optimization

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

Thomas, Jared J.; Gebraad, Pieter MO; Ning, Andrew

The FLORIS (FLOw Redirection and Induction in Steady-state) model, a parametric wind turbine wake model that predicts steady-state wake characteristics based on wind turbine position and yaw angle, was developed for optimization of control settings and turbine locations. This article provides details on changes made to the FLORIS model to make the model more suitable for gradient-based optimization. Changes to the FLORIS model were made to remove discontinuities and add curvature to regions of non-physical zero gradient. Exact gradients for the FLORIS model were obtained using algorithmic differentiation. A set of three case studies demonstrate that using exact gradients withmore » gradient-based optimization reduces the number of function calls by several orders of magnitude. The case studies also show that adding curvature improves convergence behavior, allowing gradient-based optimization algorithms used with the FLORIS model to more reliably find better solutions to wind farm optimization problems.« less

Auditory frequency generalization in the goldfish (Carassius auratus)1

PubMed Central

Fay, Richard R.

1970-01-01

Auditory frequency generalization in the goldfish was studied at five points within the best hearing range through the use of classical respiratory conditioning. Each experimental group received single-stimulus conditioning sessions at one of five stimulus frequencies (100, 200, 400, 800, and 1600 Hz), and were subsequently tested for generalization at eight neighboring frequencies. All stimuli were presented 30 db above absolute threshold. Significant generalization decrements were found for all subjects. For the subjects conditioned in the range between 100 and 800 Hz, a nearly complete failure to generalize was found at one octave above and below the training frequency. The subjects conditioned at 1600 Hz produced relatively more flat gradients between 900 and 2000 Hz. The widths of the generalization gradients, expressed in Hz, increased as a power function of frequency with a slope greater than one. PMID:16811481

Rheumatoid arthritis as a hyper-endoplasmic-reticulum-associated degradation disease.

PubMed

Yamasaki, Satoshi; Yagishita, Naoko; Tsuchimochi, Kaneyuki; Nishioka, Kusuki; Nakajima, Toshihiro

2005-01-01

We introduce Synoviolin as a novel pathogenic factor in rheumatoid arthritis (RA). Experimental studies indicate that this endoplasmic reticulum (ER)-resident E3 ubiquitin ligase has important functions in the ER-associated degradation (ERAD) system, an essential system for ER homeostasis. Overexpression of Synoviolin in mice causes arthropathy with synovial hyperplasia, whereas heterozygous knockdown results in increased apoptosis of synovial cells and resistance to collagen-induced arthritis in mice. On the basis of these experimental data, we propose that excess elimination of unfolded proteins (that is, 'hyper-ERAD') by overexpression of Synoviolin triggers synovial cell overgrowth and hence a worsening of RA. Further analysis of the hyper-ERAD system may permit the complex pathomechanisms of RA to be uncovered.

Integrating knowledge and control into hypermedia-based training environments: Experiments with HyperCLIPS

NASA Technical Reports Server (NTRS)

Hill, Randall W., Jr.

1990-01-01

The issues of knowledge representation and control in hypermedia-based training environments are discussed. The main objective is to integrate the flexible presentation capability of hypermedia with a knowledge-based approach to lesson discourse management. The instructional goals and their associated concepts are represented in a knowledge representation structure called a 'concept network'. Its functional usages are many: it is used to control the navigation through a presentation space, generate tests for student evaluation, and model the student. This architecture was implemented in HyperCLIPS, a hybrid system that creates a bridge between HyperCard, a popular hypertext-like system used for building user interfaces to data bases and other applications, and CLIPS, a highly portable government-owned expert system shell.

Empirical estimation of a distribution function with truncated and doubly interval-censored data and its application to AIDS studies.

PubMed

Sun, J

1995-09-01

In this paper we discuss the non-parametric estimation of a distribution function based on incomplete data for which the measurement origin of a survival time or the date of enrollment in a study is known only to belong to an interval. Also the survival time of interest itself is observed from a truncated distribution and is known only to lie in an interval. To estimate the distribution function, a simple self-consistency algorithm, a generalization of Turnbull's (1976, Journal of the Royal Statistical Association, Series B 38, 290-295) self-consistency algorithm, is proposed. This method is then used to analyze two AIDS cohort studies, for which direct use of the EM algorithm (Dempster, Laird and Rubin, 1976, Journal of the Royal Statistical Association, Series B 39, 1-38), which is computationally complicated, has previously been the usual method of the analysis.

Polychaete functional diversity in shallow habitats: Shelter from the storm

NASA Astrophysics Data System (ADS)

Wouters, Julia M.; Gusmao, Joao B.; Mattos, Gustavo; Lana, Paulo

2018-05-01

Innovative approaches are needed to help understanding how species diversity is related to the latitudinal gradient at large or small scales. We have applied a novel approach, by combining morphological and biological traits, to assess the relative importance of the large scale latitudinal gradient and regional morphodynamic drivers in shaping the functional diversity of polychaete assemblages in shallow water habitats, from exposed to estuarine sandy beaches. We used literature data on polychaetes from beaches along the southern and southeastern Brazilian coast together with data on beach types, slope, grain size, temperature, salinity, and chlorophyll a concentration. Generalized linear models on the FDis index for functional diversity calculated for each site and a combined RLQ and fourth-corner analysis were used to investigate relationships between functional traits and environmental variables. Functional diversity was not related to the latitudinal gradient but negatively correlated with grain size and beach slope. Functional diversity was highest in flat beaches with small grain size, little wave exposure and enhanced primary production, indicating that small scale morphodynamic conditions are the primary drivers of polychaete functional diversity.

Locality of correlation in density functional theory.

PubMed

Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

2016-08-07

The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

An approach toward the numerical evaluation of multi-loop Feynman diagrams

NASA Astrophysics Data System (ADS)

Passarino, Giampiero

2001-12-01

A scheme for systematically achieving accurate numerical evaluation of multi-loop Feynman diagrams is developed. This shows the feasibility of a project aimed to produce a complete calculation for two-loop predictions in the Standard Model. As a first step an algorithm, proposed by F.V. Tkachov and based on the so-called generalized Bernstein functional relation, is applied to one-loop multi-leg diagrams with particular emphasis to the presence of infrared singularities, to the problem of tensorial reduction and to the classification of all singularities of a given diagram. Successively, the extension of the algorithm to two-loop diagrams is examined. The proposed solution consists in applying the functional relation to the one-loop sub-diagram which has the largest number of internal lines. In this way the integrand can be made smooth, a part from a factor which is a polynomial in xS, the vector of Feynman parameters needed for the complementary sub-diagram with the smallest number of internal lines. Since the procedure does not introduce new singularities one can distort the xS-integration hyper-contour into the complex hyper-plane, thus achieving numerical stability. The algorithm is then modified to deal with numerical evaluation around normal thresholds. Concise and practical formulas are assembled and presented, numerical results and comparisons with the available literature are shown and discussed for the so-called sunset topology.

Hyper-expression of PAX2 in human metastatic prostate tumors and its role as a cancer promoter in an in vitro invasion model.

PubMed

Ueda, Takashi; Ito, Saya; Shiraishi, Takumi; Kulkarni, Prakash; Ueno, Akihisa; Nakagawa, Hideo; Kimura, Yasunori; Hongo, Fumiya; Kamoi, Kazumi; Kawauchi, Akihiro; Miki, Tsuneharu

2013-09-01

Metastasis is a consequence of many biological events, during which cancer stem cells are shifted into a malignant state. Among these events, invasion of prostate cancer cells into host tissues is possible to be assessed by means of an in vitro invasion model, and is thought to be coupled to altered expression of membrane proteins. Dysregulated functions of the factors regulating organogenesis during embryogenesis are known to facilitate metastasis of many types of cancers. PAX2 (paired box 2) is a member of the PAX transcription factor family, which regulates prostatic ductal growth and branching in organogenesis of mammalian prostates. However, the role of PAX2 in prostate cancer development remains to be determined. PAX2 expression in human prostate cancers and normal prostate epithelium were examined by quantitative RT-PCR and immunohistochemistry. Matrigel invasion assay and a gene array analysis were performed using prostate cancer cell lines transfected with either control or PAX2 siRNA. In human prostate cancers, PAX2 was hyper-expressed in metastatic cancers, but was expressed at lower levels in non-metastatic cancers. Consistent with this, PAX2 knockdown repressed cell growth and invasion in a Matrigel invasion assay. Gene ontology analysis revealed that many cell membrane proteins were downregulated after PAX2 knockdown. Our data suggested that PAX2 hyper-expression promotes the development of the metastatic state in prostate cancer cells, presumably through upregulating the expression of cell membrane proteins. Copyright © 2013 Wiley Periodicals, Inc.

Environmental preferences of tuna and non-tuna species associated with drifting fish aggregating devices (DFADs) in the Atlantic Ocean, ascertained through fishers' echo-sounder buoys

NASA Astrophysics Data System (ADS)

Lopez, Jon; Moreno, Gala; Lennert-Cody, Cleridy; Maunder, Mark; Sancristobal, Igor; Caballero, Ainhoa; Dagorn, Laurent

2017-06-01

Understanding the relationship between environmental variables and pelagic species concentrations and dynamics is helpful to improve fishery management, especially in a changing environment. Drifting fish aggregating device (DFAD)-associated tuna and non-tuna biomass data from the fishers' echo-sounder buoys operating in the Atlantic Ocean have been modelled as functions of oceanographic (Sea Surface Temperature, Chlorophyll-a, Salinity, Sea Level Anomaly, Thermocline depth and gradient, Geostrophic current, Total Current, Depth) and DFAD variables (DFAD speed, bearing and soak time) using Generalized Additive Mixed Models (GAMMs). Biological interaction (presence of non-tuna species at DFADs) was also included in the tuna model, and found to be significant at this time scale. All variables were included in the analyses but only some of them were highly significant, and variable significance differed among fish groups. In general, most of the fish biomass distribution was explained by the ocean productivity and DFAD-variables. Indeed, this study revealed different environmental preferences for tunas and non-tuna species and suggested the existence of active habitat selection. This improved assessment of environmental and DFAD effects on tuna and non-tuna catchability in the purse seine tuna fishery will contribute to transfer of better scientific advice to regional tuna commissions for the management and conservation of exploited resources.

Increasing Functional Communication in Non-Speaking Preschool Children: Comparison of PECS and VOCA

ERIC Educational Resources Information Center

Bock, Stacey Jones; Stoner, Julia B.; Beck, Ann R.; Hanley, Laurie; Prochnow, Jessica

2005-01-01

For individuals who have complex communication needs and for the interventionists who work with them, the collection of empirically derived data that support the use of an intervention approach is critical. The purposes of this study were to continue building an empirically derived base of support for, and to compare the relative effectiveness of…

A General Method for Solving Systems of Non-Linear Equations

NASA Technical Reports Server (NTRS)

Nachtsheim, Philip R.; Deiss, Ron (Technical Monitor)

1995-01-01

The method of steepest descent is modified so that accelerated convergence is achieved near a root. It is assumed that the function of interest can be approximated near a root by a quadratic form. An eigenvector of the quadratic form is found by evaluating the function and its gradient at an arbitrary point and another suitably selected point. The terminal point of the eigenvector is chosen to lie on the line segment joining the two points. The terminal point found lies on an axis of the quadratic form. The selection of a suitable step size at this point leads directly to the root in the direction of steepest descent in a single step. Newton's root finding method not infrequently diverges if the starting point is far from the root. However, the current method in these regions merely reverts to the method of steepest descent with an adaptive step size. The current method's performance should match that of the Levenberg-Marquardt root finding method since they both share the ability to converge from a starting point far from the root and both exhibit quadratic convergence near a root. The Levenberg-Marquardt method requires storage for coefficients of linear equations. The current method which does not require the solution of linear equations requires more time for additional function and gradient evaluations. The classic trade off of time for space separates the two methods.

Depth-related gradients of viral activity in Lake Pavin.

PubMed

Colombet, J; Sime-Ngando, T; Cauchie, H M; Fonty, G; Hoffmann, L; Demeure, G

2006-06-01

High-resolution vertical sampling and determination of viral and prokaryotic parameters in a deep volcanic lake shows that in the absence of thermal stratification but within light, oxygen, and chlorophyll gradients, host availability empirically is prevalent over the physical and chemical environments and favors lytic over lysogenic "viral life cycles."

Manipulating the Gradient

ERIC Educational Resources Information Center

Gaze, Eric C.

2005-01-01

We introduce a cooperative learning, group lab for a Calculus III course to facilitate comprehension of the gradient vector and directional derivative concepts. The lab is a hands-on experience allowing students to manipulate a tangent plane and empirically measure the effect of partial derivatives on the direction of optimal ascent. (Contains 7…

Altered cardiovascular reactivity and osmoregulation during hyperosmotic stress in adult rats developmentally exposed to polybrominated diphenyl ethers (PBDEs)

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

Shah, Ashini; Coburn, Cary G.; Watson-Siriboe, Abena

2011-10-15

Polybrominated diphenyl ethers (PBDEs) and the structurally similar chemicals polychlorinated biphenyls (PCBs) disrupt the function of multiple endocrine systems. PCBs and PBDEs disrupt the secretion of vasopressin (VP) from the hypothalamus during osmotic activation. Since the peripheral and central vasopressinergic axes are critical for osmotic and cardiovascular regulation, we examined whether perinatal PBDE exposure could impact these functions during physiological activation. Rats were perinatally dosed with a commercial PBDE mixture, DE-71. Dams were given 0 (corn oil control), 1.7 (low dose) or 30.6 mg/kg/day (high dose) in corn oil from gestational day (GD) 6 through postnatal day (PND) 21 bymore » oral gavage. In the male offspring exposed to high dose PBDE plasma thyroxine and triiodothyronine levels were reduced at PND 21 and recovered to control levels by PND 60 when thyroid stimulating hormone levels were elevated. At 14-18 months of age, cardiovascular responses were measured in four groups of rats: Normal (Oil, normosmotic condition), Hyper (Oil, hyperosmotic stress), Hyper PBDE low (1.7 mg/kg/day DE-71 perinatally, hyperosmotic stress), and Hyper PBDE high (30.6 mg/kg/day DE-71 perinatally, hyperosmotic stress). Systolic blood pressure (BP), diastolic BP, and heart rate (HR) were determined using tail cuff sphygmomanometry and normalized to pretreatment values (baseline) measured under basal conditions. Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. Hyper PBDE low and high dose rats showed 36.1 and 64.7% greater systolic BP responses at 3 h post hyperosmotic injection relative to pretreatment baseline, respectively. No treatment effects were measured for diastolic BP and HR. Hyper and Hyper PBDE rats showed increased mean plasma osmolality values by 45 min after injection relative to normosmotic controls. In contrast to Hyper rats, Hyper PBDE (high) rats showed a further increase in mean plasma osmolality at 3 h (358.3 {+-} 12.4 mOsm/L) relative to 45 min post hyperosmotic injection (325.1 {+-} 11.4 mOsm/L). Impaired osmoregulation in PBDE-treated animals could not be attributed to decreased levels of plasma vasopressin. Our findings suggest that developmental exposure to PBDEs may disrupt cardiovascular reactivity and osmoregulatory responses to physiological activation in late adulthood. - Highlights: > We examined whether PBDE exposure could impact osmotic and cardiovascular regulation. > Hyperosmotic treatment yielded significant changes in systolic BP in PBDE exposed rats only. > PBDEs may disrupt cardiovascular and osmoregulatory responses to physiological activation.« less

Normal stress effects on Knudsen flow

NASA Astrophysics Data System (ADS)

Eu, Byung Chan

2018-01-01

Normal stress effects are investigated on tube flow of a single-component non-Newtonian fluid under a constant pressure gradient in a constant temperature field. The generalized hydrodynamic equations are employed, which are consistent with the laws of thermodynamics. In the cylindrical tube flow configuration, the solutions of generalized hydrodynamic equations are exactly solvable and the flow velocity is obtained in a simple one-dimensional integral quadrature. Unlike the case of flow in the absence of normal stresses, the flow develops an anomaly in that the flow in the boundary layer becomes stagnant and the thickness of such a stagnant velocity boundary layer depends on the pressure gradient, the aspect ratio of the radius to the length of the tube, and the pressure (or density and temperature) at the entrance of the tube. The volume flow rate formula through the tube is derived for the flow. It generalizes the Knudsen flow rate formula to the case of a non-Newtonian stress tensor in the presence of normal stress differences. It also reduces to the Navier-Stokes theory formula in the low shear rate limit near equilibrium.

European consensus on the concepts and measurement of the pathophysiological neuromuscular responses to passive muscle stretch.

PubMed

van den Noort, J C; Bar-On, L; Aertbeliën, E; Bonikowski, M; Braendvik, S M; Broström, E W; Buizer, A I; Burridge, J H; van Campenhout, A; Dan, B; Fleuren, J F; Grunt, S; Heinen, F; Horemans, H L; Jansen, C; Kranzl, A; Krautwurst, B K; van der Krogt, M; Lerma Lara, S; Lidbeck, C M; Lin, J-P; Martinez, I; Meskers, C; Metaxiotis, D; Molenaers, G; Patikas, D A; Rémy-Néris, O; Roeleveld, K; Shortland, A P; Sikkens, J; Sloot, L; Vermeulen, R J; Wimmer, C; Schröder, A S; Schless, S; Becher, J G; Desloovere, K; Harlaar, J

2017-07-01

To support clinical decision-making in central neurological disorders, a physical examination is used to assess responses to passive muscle stretch. However, what exactly is being assessed is expressed and interpreted in different ways. A clear diagnostic framework is lacking. Therefore, the aim was to arrive at unambiguous terminology about the concepts and measurement around pathophysiological neuromuscular response to passive muscle stretch. During two consensus meetings, 37 experts from 12 European countries filled online questionnaires based on a Delphi approach, followed by plenary discussion after rounds. Consensus was reached for agreement ≥75%. The term hyper-resistance should be used to describe the phenomenon of impaired neuromuscular response during passive stretch, instead of for example 'spasticity' or 'hypertonia'. From there, it is essential to distinguish non-neural (tissue-related) from neural (central nervous system related) contributions to hyper-resistance. Tissue contributions are elasticity, viscosity and muscle shortening. Neural contributions are velocity dependent stretch hyperreflexia and non-velocity dependent involuntary background activation. The term 'spasticity' should only be used next to stretch hyperreflexia, and 'stiffness' next to passive tissue contributions. When joint angle, moment and electromyography are recorded, components of hyper-resistance within the framework can be quantitatively assessed. A conceptual framework of pathophysiological responses to passive muscle stretch is defined. This framework can be used in clinical assessment of hyper-resistance and will improve communication between clinicians. Components within the framework are defined by objective parameters from instrumented assessment. These parameters need experimental validation in order to develop treatment algorithms based on the aetiology of the clinical phenomena. © 2017 EAN.

Generalized Bootstrap Method for Assessment of Uncertainty in Semivariogram Inference

USGS Publications Warehouse

Olea, R.A.; Pardo-Iguzquiza, E.

2011-01-01

The semivariogram and its related function, the covariance, play a central role in classical geostatistics for modeling the average continuity of spatially correlated attributes. Whereas all methods are formulated in terms of the true semivariogram, in practice what can be used are estimated semivariograms and models based on samples. A generalized form of the bootstrap method to properly model spatially correlated data is used to advance knowledge about the reliability of empirical semivariograms and semivariogram models based on a single sample. Among several methods available to generate spatially correlated resamples, we selected a method based on the LU decomposition and used several examples to illustrate the approach. The first one is a synthetic, isotropic, exhaustive sample following a normal distribution, the second example is also a synthetic but following a non-Gaussian random field, and a third empirical sample consists of actual raingauge measurements. Results show wider confidence intervals than those found previously by others with inadequate application of the bootstrap. Also, even for the Gaussian example, distributions for estimated semivariogram values and model parameters are positively skewed. In this sense, bootstrap percentile confidence intervals, which are not centered around the empirical semivariogram and do not require distributional assumptions for its construction, provide an achieved coverage similar to the nominal coverage. The latter cannot be achieved by symmetrical confidence intervals based on the standard error, regardless if the standard error is estimated from a parametric equation or from bootstrap. ?? 2010 International Association for Mathematical Geosciences.

In-depth characterization of the fluorescent signal of HyPer, a probe for hydrogen peroxide, in bacteria exposed to external oxidative stress.

PubMed

Lim, Joseph B; Barker, Kimberly A; Huang, Beijing K; Sikes, Hadley D

2014-11-01

Genetically encoded, fluorescent biosensors have been developed to probe the activities of various signaling molecules inside cells ranging from changes in intracellular ion concentrations to dynamics of lipid second messengers. HyPer is a member of this class of biosensors and is the first to dynamically respond to hydrogen peroxide (H2O2), a reactive oxygen species that functions as a signaling molecule. However, detailed characterization of HyPer's signal is not currently available within the context of bacteria exposed to external oxidative stress, which occurs in the immunological response of higher organisms against invasive pathogenic bacteria. Here, we performed this characterization, specifically in Escherichia coli exposed to external H2O2. We found that the temporal behavior of the signal does not correspond exactly to peroxide concentration in the system as a function of time and expression of the sensor decreases the peroxide scavenging activity of the cell. We also determined the effects of cell number, both before and after normalization of externally added H2O2 to the number of cells. Finally, we report quantitative characteristics of HyPer's signal in this context, including the dynamic range of the signal, the signal-to-noise ratio, and the half saturation constant. These parameters show statistically meaningful differences in signal between two commonly used strains of E. coli, demonstrating how signal can vary with strain. Taken together, our results establish a systematic, quantitative framework for researchers seeking to better understand the role of H2O2 in the immunological response against bacteria, and for understanding potential differences in the details of HyPer's quantitative performance across studies. Copyright © 2014 Elsevier B.V. All rights reserved.

Hyper-Theory-of-Mind in Children with Psychotic Experiences

PubMed Central

Clemmensen, Lars; van Os, Jim; Skovgaard, Anne Mette; Væver, Mette; Blijd-Hoogewys, Els M. A.; Bartels-Velthuis, Agna A.; Jeppesen, Pia

2014-01-01

Background Alterations in Theory-of-Mind (ToM) are associated with psychotic disorder. In addition, studies in children have documented that alterations in ToM are associated with Psychotic Experiences (PE). Our aim was to examine associations between an exaggerated type of ToM (HyperToM) and PE in children. Children with this type of alteration in ToM infer mental states when none are obviously suggested, and predict behaviour on the basis of these erroneous beliefs. Individuals with HyperToM do not appear to have a conceptual deficit (i.e. lack of representational abilities), but rather they apply their theory of the minds of others in an incorrect or biased way. Method Hypotheses were tested in two studies with two independent samples: (i) a general population sample of 1630 Danish children aged 11–12 years, (ii) a population-based sample of 259 Dutch children aged 12–13 years, pertaining to a case-control sampling frame of children with auditory verbal hallucinations. Multinomial regression analyses were carried out to investigate the associations between PE and ToM and HyperToM respectively. Analyses were adjusted for gender and proxy measures of general intelligence. Results Low ToM score was significantly associated with PE in sample I (OR = 1.6 95%CI 1.1–2.3 χ2(4) = 12.42 p = 0.010), but not in sample II (OR = 0.9 95%CI 0.5–1.8 χ2(3) = 7.13 p = 0.816). HyperToM was significantly associated with PE both in sample I (OR = 1.8, 95%CI 1.2–2.7 χ2(3) = 10.11 p = 0.006) and II (OR = 4.6, 95%CI 1.3–16.2 χ2(2) = 7.56 p = 0.018). HyperToM was associated particularly with paranoid delusions in both sample I (OR = 2.0, 95%CI: 1.1–3.7% χ2(4) = 9.93 p = 0.021) and II (OR = 6.2 95%CI: 1.7–23.6% χ2(4) = 9.90 p = 0.044). Conclusion Specific alterations in ToM may be associated with specific types of psychotic experiences. HyperToM may index risk for developing psychosis and paranoid delusions in particular. PMID:25397582

A field theory approach to the evolution of canonical helicity and energy

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

You, S.

A redefinition of the Lagrangian of a multi-particle system in fields reformulates the single-particle, kinetic, and fluid equations governing fluid and plasma dynamics as a single set of generalized Maxwell's equations and Ohm's law for canonical force-fields. The Lagrangian includes new terms representing the coupling between the motion of particle distributions, between distributions and electromagnetic fields, with relativistic contributions. The formulation shows that the concepts of self-organization and canonical helicity transport are applicable across single-particle, kinetic, and fluid regimes, at classical and relativistic scales. The theory gives the basis for comparing canonical helicity change to energy change in general systems.more » For example, in a fixed, isolated system subject to non-conservative forces, a species' canonical helicity changes less than total energy only if gradients in density or distribution function are shallow.« less

Non-Perturbative Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1997-02-01

We discuss the renormalization of the lattice formulation of the Heavy Quark Effective Theory (LHQET). In addition to wave function and composite operator renormalizations, on the lattice the classical velocity is also renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. We present results of a new, direct lattice simulation of this finite renormalization, and compare the results to the perturbative (one loop) result. The simulation results are obtained with the use of a variationally optimized heavy-light meson operator, using an ensemble of lattices provided by the Fermilab ACP-MAPS collaboration.

Influence of maternal hyperthyroidism in the rat on the expression of neuronal and astrocytic cytoskeletal proteins in fetal brain.

PubMed

Evans, I M; Pickard, M R; Sinha, A K; Leonard, A J; Sampson, D C; Ekins, R P

2002-12-01

Maternal hypothyroidism during pregnancy impairs brain function in human and rat offspring, but little is known regarding the influence of maternal hyperthyroidism on neurodevelopment. We have previously shown that the expression of neuronal and glial differentiation markers in fetal brain is compromised in hypothyroid rat dam pregnancies and have now therefore extended this investigation to hyperthyroid rat dams. Study groups comprised partially thyroidectomised dams, implanted with osmotic pumps infusing either vehicle (TX dams) or a supraphysiological dose of thyroxine (T4) (HYPER dams), and euthyroid dams infused with vehicle (N dams). Cytoskeletal protein abundance was determined in fetal brain at 21 days of gestation by immunoblot analysis. Relative to N dams, circulating total T4 levels were reduced to around one-third in TX dams but were doubled in HYPER dams. Fetal brain weight was increased in HYPER dams, whereas litter size and fetal body weight were reduced in TX dams. Glial fibrillary acidic protein expression was similar in HYPER and TX dams, being reduced in both cases relative to N dams. alpha-Internexin (INX) abundance was reduced in HYPER dams and increased in TX dams, whereas neurofilament 68 (NF68) exhibited increased abundance in HYPER dams. Furthermore, INX was inversely related to - and NF68 directly related to - maternal serum total T4 levels, independently of fetal brain weight. In conclusion, maternal hyperthyroidism compromises the expression of neuronal cytoskeletal proteins in late fetal brain, suggestive of a pattern of accelerated neuronal differentiation.

p53 suppresses hyper-recombination by modulating BRCA1 function

PubMed Central

Dong, Chao; Zhang, Fengmei; Luo, Yue; Wang, Hui; Zhao, Xipeng; Guo, Gongshe; Powell, Simon N.; Feng, Zhihui

2015-01-01

Both p53 and BRCA1 are tumor suppressors and are involved in a number of cellular processes including cell cycle arrest, apoptosis, transcriptional regulation, and DNA damage repair. Some studies have suggested that the association of BRCA1 and p53 is required for transcriptional regulation of genes involved in cell replication and DNA repair pathways. However, the relationship between the two proteins in molecular mechanisms of DNA repair is still not clear. Therefore, we sought to determine whether there is a functional link between p53 and BRCA1 in DNA repair. Firstly, using a plasmid recombination substrate, pDR-GFP, integrated into the genome of breast cancer cell line MCF7, we have demonstrated that p53 suppressed Rad51-mediated hyper-recombinational repair by two independent cell models of HPV-E6 induced p53 inactivation and p53 knockdown assay. Our study further indicated that p53 mediated homologous recombination (HR) through inhibiting BRCA1 over-function via mechanism of transcription regulation in response to DNA repair. Since it was found p53 and BRCA1 existed in a protein complex, indicating both proteins may be associated at post-transcriptional level. Moreover, defective p53-induced hyper-recombination was associated with cell radioresistance and chromosomal stability, strongly supporting the involvement of p53 in the inhibition of hyper-recombination, which led to genetic stability and cellular function in response to DNA damage. In addition, it was found that p53 loss rescued BRCA1 deficiency via recovering HR and chromosomal stability, suggesting that p53 is also involved in the HR-inhibition independently of BRCA1. Thus, our data indicated that p53 was involved in inhibiting recombination by both BRCA1-dependent and -independent mechanisms, and there is a functional link between p53-suppression and BRCA1-promotion in regulation of HR activity at transcription level and possible post-transcription level. PMID:26162908

Statistical learning as an individual ability: Theoretical perspectives and empirical evidence

PubMed Central

Siegelman, Noam; Frost, Ram

2015-01-01

Although the power of statistical learning (SL) in explaining a wide range of linguistic functions is gaining increasing support, relatively little research has focused on this theoretical construct from the perspective of individual differences. However, to be able to reliably link individual differences in a given ability such as language learning to individual differences in SL, three critical theoretical questions should be posed: Is SL a componential or unified ability? Is it nested within other general cognitive abilities? Is it a stable capacity of an individual? Following an initial mapping sentence outlining the possible dimensions of SL, we employed a battery of SL tasks in the visual and auditory modalities, using verbal and non-verbal stimuli, with adjacent and non-adjacent contingencies. SL tasks were administered along with general cognitive tasks in a within-subject design at two time points to explore our theoretical questions. We found that SL, as measured by some tasks, is a stable and reliable capacity of an individual. Moreover, we found SL to be independent of general cognitive abilities such as intelligence or working memory. However, SL is not a unified capacity, so that individual sensitivity to conditional probabilities is not uniform across modalities and stimuli. PMID:25821343

Forest tree species clssification based on airborne hyper-spectral imagery

NASA Astrophysics Data System (ADS)

Dian, Yuanyong; Li, Zengyuan; Pang, Yong

2013-10-01

Forest precision classification products were the basic data for surveying of forest resource, updating forest subplot information, logging and design of forest. However, due to the diversity of stand structure, complexity of the forest growth environment, it's difficult to discriminate forest tree species using multi-spectral image. The airborne hyperspectral images can achieve the high spatial and spectral resolution imagery of forest canopy, so it will good for tree species level classification. The aim of this paper was to test the effective of combining spatial and spectral features in airborne hyper-spectral image classification. The CASI hyper spectral image data were acquired from Liangshui natural reserves area. Firstly, we use the MNF (minimum noise fraction) transform method for to reduce the hyperspectral image dimensionality and highlighting variation. And secondly, we use the grey level co-occurrence matrix (GLCM) to extract the texture features of forest tree canopy from the hyper-spectral image, and thirdly we fused the texture and the spectral features of forest canopy to classify the trees species using support vector machine (SVM) with different kernel functions. The results showed that when using the SVM classifier, MNF and texture-based features combined with linear kernel function can achieve the best overall accuracy which was 85.92%. It was also confirm that combine the spatial and spectral information can improve the accuracy of tree species classification.

Can work ability explain the social gradient in sickness absence: a study of a general population in Sweden.

PubMed

Löve, Jesper; Holmgren, Kristina; Torén, Kjell; Hensing, Gunnel

2012-03-07

Understanding the reasons for the social gradient in sickness absence might provide an opportunity to reduce the general rates of sickness absence. The complete explanation for this social gradient still remains unclear and there is a need for studies using randomized working population samples. The main aim of the present study was to investigate if self-reported work ability could explain the association between low socioeconomic position and belonging to a sample of new cases of sick-listed employees. The two study samples consisted of a randomized working population (n = 2,763) and a sample of new cases of sick-listed employees (n = 3,044), 19-64 years old. Both samples were drawn from the same randomized general population. Socioeconomic status was measured with occupational position and physical and mental work ability was measured with two items extracted from the work ability index. There was an association between lower socioeconomic status and belonging to the sick-listed sample among both women and men. In men the crude Odds ratios increased for each downwards step in socioeconomic status, OR 1.32 (95% CI 0.98-1.78), OR 1.53 (1.05-2.24), OR 2.80 (2.11-3.72), and OR 2.98 (2.27-3.90). Among women this gradient was not as pronounced. Physical work ability constituted the strongest explanatory factor explaining the total association between socioeconomic status and being sick-listed in women. However, among men, the association between skilled non-manual, OR 2.07 (1.54-2.78), and non-skilled manual, OR 2.03 (1.53-2.71) positions in relation to being sick-listed remained. The explanatory effect of mental work ability was small. Surprisingly, even in the sick-listed sample most respondents had high mental and physical work ability. These results suggest that physical work ability may be an important key in explaining the social gradient in sickness absence, particularly in women. Hence, it is possible that the factors associated with the social gradient in sickness absence may differ, to some extent, between women and men.

An Empirical Analysis of Differences in GDP per Capita and the Role of Human Capital

ERIC Educational Resources Information Center

Sfakianakis, George; Magoutas, Anastasios I.; Georgopoulos, Demosthenes

2010-01-01

Using a generalized production function approach and insights from empirical research on the determinants of growth, this paper assesses the relative importance of specific factors in explaining differences in the levels of per capita GDP. Emphasis is placed on education, physical capital accumulation, the share of the public sector in economic…

Analyzing Mathematics Textbooks through a Constructive-Empirical Perspective on Abstraction: The Case of Pythagoras' Theorem

ERIC Educational Resources Information Center

Yang, Kai-Lin

2016-01-01

This study aims at analyzing how Pythagoras' theorem is handled in three versions of Taiwanese textbooks using a conceptual framework of a constructive-empirical perspective on abstraction, which comprises three key attributes: the generality of the object, the connectivity of the subject and the functionality of diagrams as the focused semiotic…

Probing the molecular design of hyper-branched aryl polyesters towards lubricant applications

NASA Astrophysics Data System (ADS)

Robinson, Joshua W.; Zhou, Yan; Bhattacharya, Priyanka; Erck, Robert; Qu, Jun; Bays, J. Timothy; Cosimbescu, Lelia

2016-01-01

We report novel polymeric materials that may be used as viscosity index improvers (VII) for lubricant applications. Our efforts included probing the comb-burst hyper-branched aryl polyester architecture for beneficial viscosity and friction behavior when utilized as an additive in a group I oil. The monomer was designed as to undergo polymerization via polycondensation within the architectural construct (AB2), typical of hyperbranched polymers. The monomer design was comprised of aliphatic arms (12 or 16 methylenes) to provide the necessary lipophilicity to achieve solubility in a non-polar medium. Once polymerized, via catalyst and heat, the surface alcohols were functionalized with fatty acids (lauric and palmitic). Controlling the aliphatic nature of the internal arms and peripheral end-groups provided four unique flexible polymer designs. Changing the reaction time and concentration provided opportunities to investigate the influence of molecular weight and branching density on oil-solubility, viscosity, and friction. Oil-solubility was found to decrease with fewer internal carbons, but the number of internal carbons appears to have little influence on the bulk solution viscosity. At concentrations of 2 wt % in a group I base oil, these polymer additives demonstrated an improved viscosity index and reduced friction coefficient, validating the basic approach.

The Fourier decomposition method for nonlinear and non-stationary time series analysis.

PubMed

Singh, Pushpendra; Joshi, Shiv Dutt; Patney, Rakesh Kumar; Saha, Kaushik

2017-03-01

for many decades, there has been a general perception in the literature that Fourier methods are not suitable for the analysis of nonlinear and non-stationary data. In this paper, we propose a novel and adaptive Fourier decomposition method (FDM), based on the Fourier theory, and demonstrate its efficacy for the analysis of nonlinear and non-stationary time series. The proposed FDM decomposes any data into a small number of 'Fourier intrinsic band functions' (FIBFs). The FDM presents a generalized Fourier expansion with variable amplitudes and variable frequencies of a time series by the Fourier method itself. We propose an idea of zero-phase filter bank-based multivariate FDM (MFDM), for the analysis of multivariate nonlinear and non-stationary time series, using the FDM. We also present an algorithm to obtain cut-off frequencies for MFDM. The proposed MFDM generates a finite number of band-limited multivariate FIBFs (MFIBFs). The MFDM preserves some intrinsic physical properties of the multivariate data, such as scale alignment, trend and instantaneous frequency. The proposed methods provide a time-frequency-energy (TFE) distribution that reveals the intrinsic structure of a data. Numerical computations and simulations have been carried out and comparison is made with the empirical mode decomposition algorithms.

Characteristic optical coherence tomography findings in patients with primary vitreoretinal lymphoma: a novel aid to early diagnosis.

PubMed

Barry, Robert J; Tasiopoulou, Anastasia; Murray, Philip I; Patel, Praveen J; Sagoo, Mandeep S; Denniston, Alastair K; Keane, Pearse A

2018-01-06

The diagnosis of primary vitreoretinal lymphoma (PVRL) poses significant difficulties; presenting features are non-specific and confirmation usually necessitates invasive vitreoretinal biopsy. Diagnosis is often delayed, resulting in increased morbidity and mortality. Non-invasive imaging modalities such as spectral domain optical coherence tomography (SD-OCT) offer simple and rapid aids to diagnosis. We present characteristic SD-OCT images of patients with biopsy-positive PVRL and propose a number of typical features, which we believe are useful in identifying these lesions at an early stage. Medical records of all patients attending Moorfields Eye Hospital between April 2010 and April 2016 with biopsy-positive PVRL were reviewed. Pretreatment SD-OCT images were collected for all eyes and were reviewed independently by two researchers for features suggestive of PVRL. Pretreatment SD-OCT images of 32 eyes of 22 patients with biopsy-proven PVRL were reviewed. Observed features included hyper-reflective subretinal infiltrates (17/32), hyper-reflective infiltration in inner retinal layers (6/32), retinal pigment epithelium (RPE) undulation (5/32), clumps of vitreous cells (5/32) and sub-RPE deposits (3/32). Of these, the hyper-reflective subretinal infiltrates have an appearance unique to PVRL, with features not seen in other diseases. We have identified a range of SD-OCT features, which we believe to be consistent with a diagnosis of PVRL. We propose that the observation of hyper-reflective subretinal infiltrates as described is highly suggestive of PVRL. This case series further demonstrates the utility of SD-OCT as a non-invasive and rapid aid to diagnosis, which may improve both visual outcomes and survival of patients with intraocular malignancies such as PVRL. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.