StePS: Stereographically Projected Cosmological Simulations
NASA Astrophysics Data System (ADS)
Rácz, Gábor; Szapudi, István; Csabai, István; Dobos, László
2018-05-01
StePS (Stereographically Projected Cosmological Simulations) compactifies the infinite spatial extent of the Universe into a finite sphere with isotropic boundary conditions to simulate the evolution of the large-scale structure. This eliminates the need for periodic boundary conditions, which are a numerical convenience unsupported by observation and which modifies the law of force on large scales in an unrealistic fashion. StePS uses stereographic projection for space compactification and naive O(N2) force calculation; this arrives at a correlation function of the same quality more quickly than standard (tree or P3M) algorithms with similar spatial and mass resolution. The N2 force calculation is easy to adapt to modern graphics cards, hence StePS can function as a high-speed prediction tool for modern large-scale surveys.
NASA Astrophysics Data System (ADS)
Einstein, T. L.; Pimpinelli, Alberto
2014-06-01
Spurred by theoretical predictions from Ferrari et al. (Phys Rev E 69:035102(R),
An improved maximum power point tracking method for a photovoltaic system
NASA Astrophysics Data System (ADS)
Ouoba, David; Fakkar, Abderrahim; El Kouari, Youssef; Dkhichi, Fayrouz; Oukarfi, Benyounes
2016-06-01
In this paper, an improved auto-scaling variable step-size Maximum Power Point Tracking (MPPT) method for photovoltaic (PV) system was proposed. To achieve simultaneously a fast dynamic response and stable steady-state power, a first improvement was made on the step-size scaling function of the duty cycle that controls the converter. An algorithm was secondly proposed to address wrong decision that may be made at an abrupt change of the irradiation. The proposed auto-scaling variable step-size approach was compared to some various other approaches from the literature such as: classical fixed step-size, variable step-size and a recent auto-scaling variable step-size maximum power point tracking approaches. The simulation results obtained by MATLAB/SIMULINK were given and discussed for validation.
Using step and path selection functions for estimating resistance to movement: Pumas as a case study
Katherine A. Zeller; Kevin McGarigal; Samuel A. Cushman; Paul Beier; T. Winston Vickers; Walter M. Boyce
2015-01-01
GPS telemetry collars and their ability to acquire accurate and consistently frequent locations have increased the use of step selection functions (SSFs) and path selection functions (PathSFs) for studying animal movement and estimating resistance. However, previously published SSFs and PathSFs often do not accommodate multiple scales or multiscale modeling....
A Scale-Invariant ``Discrete-Time'' Balitsky--Kovchegov Equation
NASA Astrophysics Data System (ADS)
Bialas, A.; Peschanski, R.
2005-06-01
We consider a version of QCD dipole cascading corresponding to a finite number n of discrete Δ Y steps of branching in rapidity. Using the discretization scheme preserving the holomorphic factorizability and scale-invariance in position space of the dipole splitting function, we derive an exact recurrence formula from step to step which plays the rôle of a ``discrete-time'' Balitsky--Kovchegov equation. The BK solutions are recovered in the limit n=∞ and Δ Y=0.
Estimating V0[subscript 2]max Using a Personalized Step Test
ERIC Educational Resources Information Center
Webb, Carrie; Vehrs, Pat R.; George, James D.; Hager, Ronald
2014-01-01
The purpose of this study was to develop a step test with a personalized step rate and step height to predict cardiorespiratory fitness in 80 college-aged males and females using the self-reported perceived functional ability scale and data collected during the step test. Multiple linear regression analysis yielded a model (R = 0.90, SEE = 3.43…
Bai, Yixin; Zhou, Rui; Cao, Jianyun; Wei, Daqing; Du, Qing; Li, Baoqiang; Wang, Yaming; Jia, Dechang; Zhou, Yu
2017-07-01
The sub-microporous microarc oxidation (MAO) coating covered Ti implant with micro-scale gouges has been fabricated via a multi-step MAO process to overcome the compromised bone-implant integration. The as-prepared implant has been further mediated by post-heat treatment to compare the effects of -OH functional group and the nano-scale orange peel-like morphology on osseointegration. The bone regeneration, bone-implant contact interface, and biomechanical push-out force of the modified Ti implant have been discussed thoroughly in this work. The greatly improved push-out force for the MAO coated Ti implants with micro-scale gouges could be attributed to the excellent mechanical interlocking effect between implants and biologically meshed bone tissues. Attributed to the -OH functional group which promotes synostosis between the biologically meshed bone and the gouge surface of implant, the multi-step MAO process could be an effective strategy to improve the osseointegration of Ti implant. Copyright © 2017 Elsevier B.V. All rights reserved.
Morris, Chad D; Miklowitz, David J; Wisniewski, Stephen R; Giese, Alexis A; Thomas, Marshall R; Allen, Michael H
2005-01-01
The Systematic Treatment Enhancement Program for Bipolar Disorder (STEP-BD) is designed to evaluate the longitudinal outcome of patients with bipolar disorder. The STEP-BD disease-management model is built on evidence-based practices and a collaborative care approach designed to maximize specific and nonspecific treatment mechanisms. This prospective study examined the longitudinal relationships between patients' satisfaction with care, levels of hope, and life functioning in the first 1000 patients to enter STEP-BD. The study used scores from the Care Satisfaction Questionnaire, Beck Hopelessness Scale, Range of Impaired Functioning Tool, Young Mania Rating Scale, and Montgomery-Asberg Depression Rating Scale at 5 time points during a 1-year interval. Analyses tested mediational pathways between care satisfaction, hope, and life functioning, depression, and mania using mixed-effects (random and fixed) regression models. Increases in care satisfaction were associated with decreased hopelessness (P < .01) but not related to symptoms of depression or mania. Similarly, decreased hopelessness was associated with better life functioning (P < .01) but not related to symptoms of depression or mania. Depression was independently associated with poorer life functioning (P < .0001). This study provided support for the hypothesized mediational pathway between care satisfaction, hopelessness, and life functioning. Findings suggest that providing care that maximizes patient hope may be important. By so doing, patients might overcome the learned helplessness/hopelessness that often accompanies a cyclical illness and build a realistic illness-management strategy.
Empirical scaling of the length of the longest increasing subsequences of random walks
NASA Astrophysics Data System (ADS)
Mendonça, J. Ricardo G.
2017-02-01
We provide Monte Carlo estimates of the scaling of the length L n of the longest increasing subsequences of n-step random walks for several different distributions of step lengths, short and heavy-tailed. Our simulations indicate that, barring possible logarithmic corrections, {{L}n}∼ {{n}θ} with the leading scaling exponent 0.60≲ θ ≲ 0.69 for the heavy-tailed distributions of step lengths examined, with values increasing as the distribution becomes more heavy-tailed, and θ ≃ 0.57 for distributions of finite variance, irrespective of the particular distribution. The results are consistent with existing rigorous bounds for θ, although in a somewhat surprising manner. For random walks with step lengths of finite variance, we conjecture that the correct asymptotic behavior of L n is given by \\sqrt{n}\\ln n , and also propose the form for the subleading asymptotics. The distribution of L n was found to follow a simple scaling form with scaling functions that vary with θ. Accordingly, when the step lengths are of finite variance they seem to be universal. The nature of this scaling remains unclear, since we lack a working model, microscopic or hydrodynamic, for the behavior of the length of the longest increasing subsequences of random walks.
Multiscaling properties of coastal waters particle size distribution from LISST in situ measurements
NASA Astrophysics Data System (ADS)
Pannimpullath Remanan, R.; Schmitt, F. G.; Loisel, H.; Mériaux, X.
2013-12-01
An eulerian high frequency sampling of particle size distribution (PSD) is performed during 5 tidal cycles (65 hours) in a coastal environment of the eastern English Channel at 1 Hz. The particle data are recorded using a LISST-100x type C (Laser In Situ Scattering and Transmissometry, Sequoia Scientific), recording volume concentrations of particles having diameters ranging from 2.5 to 500 mu in 32 size classes in logarithmic scale. This enables the estimation at each time step (every second) of the probability density function of particle sizes. At every time step, the pdf of PSD is hyperbolic. We can thus estimate PSD slope time series. Power spectral analysis shows that the mean diameter of the suspended particles is scaling at high frequencies (from 1s to 1000s). The scaling properties of particle sizes is studied by computing the moment function, from the pdf of the size distribution. Moment functions at many different time scales (from 1s to 1000 s) are computed and their scaling properties considered. The Shannon entropy at each time scale is also estimated and is related to other parameters. The multiscaling properties of the turbidity (coefficient cp computed from the LISST) are also consider on the same time scales, using Empirical Mode Decomposition.
Exploring image data assimilation in the prospect of high-resolution satellite oceanic observations
NASA Astrophysics Data System (ADS)
Durán Moro, Marina; Brankart, Jean-Michel; Brasseur, Pierre; Verron, Jacques
2017-07-01
Satellite sensors increasingly provide high-resolution (HR) observations of the ocean. They supply observations of sea surface height (SSH) and of tracers of the dynamics such as sea surface salinity (SSS) and sea surface temperature (SST). In particular, the Surface Water Ocean Topography (SWOT) mission will provide measurements of the surface ocean topography at very high-resolution (HR) delivering unprecedented information on the meso-scale and submeso-scale dynamics. This study investigates the feasibility to use these measurements to reconstruct meso-scale features simulated by numerical models, in particular on the vertical dimension. A methodology to reconstruct three-dimensional (3D) multivariate meso-scale scenes is developed by using a HR numerical model of the Solomon Sea region. An inverse problem is defined in the framework of a twin experiment where synthetic observations are used. A true state is chosen among the 3D multivariate states which is considered as a reference state. In order to correct a first guess of this true state, a two-step analysis is carried out. A probability distribution of the first guess is defined and updated at each step of the analysis: (i) the first step applies the analysis scheme of a reduced-order Kalman filter to update the first guess probability distribution using SSH observation; (ii) the second step minimizes a cost function using observations of HR image structure and a new probability distribution is estimated. The analysis is extended to the vertical dimension using 3D multivariate empirical orthogonal functions (EOFs) and the probabilistic approach allows the update of the probability distribution through the two-step analysis. Experiments show that the proposed technique succeeds in correcting a multivariate state using meso-scale and submeso-scale information contained in HR SSH and image structure observations. It also demonstrates how the surface information can be used to reconstruct the ocean state below the surface.
Semantic features of 'stepped' versus 'continuous' contours in German intonation.
Dombrowski, Ernst
2013-01-01
This study analyses the meaning spaces of German pitch contours using two modes of melodic movement: continuous or in steps of sustained pitch. Both the continuous and stepped movements are represented by a set of five basic patterns, the latter being derived from the former. Thirty-six German native speakers judged the pattern sets on a 12-scale semantic differential. The semantic profiles confirm that stepped contours can be conceived of as stylized intonation, in a formal as well as in a functional sense. On the one hand, continuous (non-stylized) and stepped (stylized) contours are assigned different overall meanings (especially on the scales astonished - commonplace and interested - not interested). On the other hand, listeners organize the two contour sets in a similar fashion, which speaks in favour of parallel pattern inventories of continuous and stepped movement, respectively. However, the meaning space of the stylized patterns is affected by formal restrictions, for instance in the step transformation of continuous rises. © 2014 S. Karger AG, Basel.
Matsuda, Kensuke; Ikeda, Shou; Mitsutake, Tsubasa; Nakahara, Masami; Nagai, Yoshiharu; Ikeda, Takuro; Horikawa, Etsuo
2017-03-01
[Purpose] Prevention of dementia requires early intervention against it. To ensure that early interventions are effective it is crucial to study the cognitive functions related to dementia in young adulthood. Moreover, it is needed not only to verify the cognitive function test but also to elucidate the actual brain activity and the influence of related factors on the brain activity. To investigate the factors influencing cognitive function among young adults and examine the differences in executive function by physical activity level. [Subjects and Methods] Forty healthy university students (mean age, 20.4 years) were classified into two groups by cognitive function score (HIGH and LOW), determined according to Trail Making Test performance and Stroop task processing time. We then assessed what factors were related to cognitive function by logistic regression analysis. Executive function was determined by brain blood flow using near-infrared spectroscopy during the Stroop task, and was then compared by physical activity levels (determined according to number of steps per hour). [Results] Full-scale Intelligence Quotient according to the 3rd Wechsler Adult Intelligent Scale and number of steps per hour influenced cognitive function score, with odds ratios of 1.104 and 1.012, respectively. Oxy-hemoglobin concentrations in areas related to executive function during the Stroop task were significantly higher among those in the high physical activity group than among those in the low physical activity group. [Conclusion] The study revealed that Full-scale Intelligence Quotient and a number of steps per hour are factors associated with the cognitive functions in young adulthood. In addition, activity in execution function related area was found to be significantly higher in the high physical activity group than in the low physical activity group, suggesting the importance of physical activity for enhancing young adulthood cognitive functions.
Complex network analysis of brain functional connectivity under a multi-step cognitive task
NASA Astrophysics Data System (ADS)
Cai, Shi-Min; Chen, Wei; Liu, Dong-Bai; Tang, Ming; Chen, Xun
2017-01-01
Functional brain network has been widely studied to understand the relationship between brain organization and behavior. In this paper, we aim to explore the functional connectivity of brain network under a multi-step cognitive task involving consecutive behaviors, and further understand the effect of behaviors on the brain organization. The functional brain networks are constructed based on a high spatial and temporal resolution fMRI dataset and analyzed via complex network based approach. We find that at voxel level the functional brain network shows robust small-worldness and scale-free characteristics, while its assortativity and rich-club organization are slightly restricted to the order of behaviors performed. More interestingly, the functional connectivity of brain network in activated ROIs strongly correlates with behaviors and is obviously restricted to the order of behaviors performed. These empirical results suggest that the brain organization has the generic properties of small-worldness and scale-free characteristics, and its diverse functional connectivity emerging from activated ROIs is strongly driven by these behavioral activities via the plasticity of brain.
Step scaling and the Yang-Mills gradient flow
NASA Astrophysics Data System (ADS)
Lüscher, Martin
2014-06-01
The use of the Yang-Mills gradient flow in step-scaling studies of lattice QCD is expected to lead to results of unprecedented precision. Step scaling is usually based on the Schrödinger functional, where time ranges over an interval [0 , T] and all fields satisfy Dirichlet boundary conditions at time 0 and T. In these calculations, potentially important sources of systematic errors are boundary lattice effects and the infamous topology-freezing problem. The latter is here shown to be absent if Neumann instead of Dirichlet boundary conditions are imposed on the gauge field at time 0. Moreover, the expectation values of gauge-invariant local fields at positive flow time (and of other well localized observables) that reside in the center of the space-time volume are found to be largely insensitive to the boundary lattice effects.
The local work function: Concept and implications
NASA Astrophysics Data System (ADS)
Wandelt, K.
1997-02-01
The term 'local work function' is now widely applied. The present work discusses the common physical basis of 'photoemission of adsorbed xenon (PAX)' and 'two-photon photonemissionspectroscopy of image potential states' as local work function probes. New examples with bimetallic and defective surfaces are presented which demonstrate the capability of PAX measurements for the characterization of heterogeneous surfaces on an atomic scale. Finally, implications of the existence of short-range variations of the surface potential at surface steps are addressed. In particular, dynamical work function change measurements are a sensitive probe for the step-density at surfaces and, as such, a powerful in-situ method to monitor film growth.
A theory of growing crystalline nanorods - Mode I
NASA Astrophysics Data System (ADS)
Du, Feng; Huang, Hanchen
2018-08-01
Nanorods grow in two possible modes during physical vapor deposition (PVD). In mode I, monolayer surface steps dictate the diameter of nanorods. In mode II, multiple-layer surface steps dictate the diameter, which is the smallest possible under physical vapor deposition [5,10]. This paper reports closed-form theories of terrace lengths and nanorod diameter during the growth in mode I, as a function of deposition conditions. The accompanying lattice kinetic Monte Carlo simulations verify these theories. This study reveals that (1) quasi-steady growth exists for each set of nanorod growth conditions, and (2) the characteristic length scales, including terrace lengths and nanorod diameter at the quasi-steady state, depend on the deposition conditions - deposition rate F, substrate temperature T, and incidence angle θ - only as a function of l2D/tan θ, with l2 D = 2(v2 D/Fcosθ) 1/3 as a diffusion-limited length scale and v2D as the atomic diffusion jump rate over monolayer surface steps.
NASA Astrophysics Data System (ADS)
González López, J.; Jansen, K.; Renner, D. B.; Shindler, A.
2013-02-01
In a previous paper (González López, et al., 2013) [1], we have discussed the non-perturbative tuning of the chirally rotated Schrödinger functional (χSF). This tuning is required to eliminate bulk O(a) cutoff effects in physical correlation functions. Using our tuning results obtained in González López et al. (2013) [1] we perform scaling and universality tests analyzing the residual O(a) cutoff effects of several step-scaling functions and we compute renormalization factors at the matching scale. As an example of possible application of the χSF we compute the renormalized strange quark mass using large volume data obtained from Wilson twisted mass fermions at maximal twist.
NASA Astrophysics Data System (ADS)
Sand, Andrew M.; Truhlar, Donald G.; Gagliardi, Laura
2017-01-01
The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.
Sand, Andrew M; Truhlar, Donald G; Gagliardi, Laura
2017-01-21
The recently developed multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfiguration wave function theory with a density functional that depends on the on-top pair density of an electronic system. In an MC-PDFT calculation, there are two steps: a conventional multiconfiguration self-consistent-field (MCSCF) calculation and a post-MCSCF evaluation of the energy with an on-top density functional. In this work, we present the details of the MC-PDFT algorithm that avoids steeply scaling steps that are present in other post-self-consistent-field multireference calculations of dynamic correlation energy. We demonstrate the favorable scaling by considering systems of H 2 molecules with active spaces of several different sizes. We then apply the MC-PDFT method to calculate the heterolytic dissociation enthalpy of ferrocene. We find that MC-PDFT yields results that are at least as accurate as complete active space second-order perturbation theory and are more stable with respect to basis set, but at a fraction of the cost in both time and memory.
NASA Astrophysics Data System (ADS)
Ramirez-Lopez, L.; van Wesemael, B.; Stevens, A.; Doetterl, S.; Van Oost, K.; Behrens, T.; Schmidt, K.
2012-04-01
Soil Organic Carbon (SOC) represents a key component in the global C cycle and has an important influence on the global CO2 fluxes between terrestrial biosphere and atmosphere. In the context of agricultural landscapes, SOC inventories are important since soil management practices have a strong influence on CO2 fluxes and SOC stocks. However, there is lack of accurate and cost-effective methods for producing high spatial resolution of SOC information. In this respect, our work is focused on the development of a three dimensional modeling approach for SOC monitoring in agricultural fields. The study area comprises ~420 km2 and includes 4 of the 5 agro-geological regions of the Grand-Duchy of Luxembourg. The soil dataset consist of 172 profiles (1033 samples) which were not sampled specifically for this study. This dataset is a combination of profile samples collected in previous soil surveys and soil profiles sampled for other research purposes. The proposed strategy comprises two main steps. In the first step the SOC distribution within each profile (vertical distribution) is modeled. Depth functions for are fitted in order to summarize the information content in the profile. By using these functions the SOC can be interpolated at any depth within the profiles. The second step involves the use of contextual terrain (ConMap) features (Behrens et al., 2010). These features are based on the differences in elevation between a given point location in the landscape and its circular neighbourhoods at a given set of different radius. One of the main advantages of this approach is that it allows the integration of several spatial scales (eg. local and regional) for soil spatial analysis. In this work the ConMap features are derived from a digital elevation model of the area and are used as predictors for spatial modeling of the parameters of the depth functions fitted in the previous step. In this poster we present some preliminary results in which we analyze: i. The use of different depth functions, ii. The use of different machine learning approaches for modeling the parameters of the fitted depth functions using the ConMap features and iii. The influence of different spatial scales on the SOC profile distribution variability. Keywords: 3D modeling, Digital soil mapping, Depth functions, Terrain analysis. Reference Behrens, T., K. Schmidt, K., Zhu, A.X. Scholten, T. 2010. The ConMap approach for terrain-based digital soil mapping. European Journal of Soil Science, v. 61, p.133-143.
Hollands, K L; Pelton, T A; van der Veen, S; Alharbi, S; Hollands, M A
2016-01-01
Although there is evidence that stroke survivors have reduced gait adaptability, the underlying mechanisms and the relationship to functional recovery are largely unknown. We explored the relationships between walking adaptability and clinical measures of balance, motor recovery and functional ability in stroke survivors. Stroke survivors (n=42) stepped to targets, on a 6m walkway, placed to elicit step lengthening, shortening and narrowing on paretic and non-paretic sides. The number of targets missed during six walks and target stepping speed was recorded. Fugl-Meyer (FM), Berg Balance Scale (BBS), self-selected walking speed (SWWS) and single support (SS) and step length (SL) symmetry (using GaitRite when not walking to targets) were also assessed. Stepwise multiple-linear regression was used to model the relationships between: total targets missed, number missed with paretic and non-paretic legs, target stepping speed, and each clinical measure. Regression revealed a significant model for each outcome variable that included only one independent variable. Targets missed by the paretic limb, was a significant predictor of FM (F(1,40)=6.54, p=0.014,). Speed of target stepping was a significant predictor of each of BBS (F(1,40)=26.36, p<0.0001), SSWS (F(1,40)=37.00, p<0.0001). No variables were significant predictors of SL or SS asymmetry. Speed of target stepping was significantly predictive of BBS and SSWS and paretic targets missed predicted FM, suggesting that fast target stepping requires good balance and accurate stepping demands good paretic leg function. The relationships between these parameters indicate gait adaptability is a clinically meaningful target for measurement and treatment of functionally adaptive walking ability in stroke survivors. Copyright © 2015 Elsevier B.V. All rights reserved.
One-step fabrication of multifunctional micromotors
NASA Astrophysics Data System (ADS)
Gao, Wenlong; Liu, Mei; Liu, Limei; Zhang, Hui; Dong, Bin; Li, Christopher Y.
2015-08-01
Although artificial micromotors have undergone tremendous progress in recent years, their fabrication normally requires complex steps or expensive equipment. In this paper, we report a facile one-step method based on an emulsion solvent evaporation process to fabricate multifunctional micromotors. By simultaneously incorporating various components into an oil-in-water droplet, upon emulsification and solidification, a sphere-shaped, asymmetric, and multifunctional micromotor is formed. Some of the attractive functions of this model micromotor include autonomous movement in high ionic strength solution, remote control, enzymatic disassembly and sustained release. This one-step, versatile fabrication method can be easily scaled up and therefore may have great potential in mass production of multifunctional micromotors for a wide range of practical applications.Although artificial micromotors have undergone tremendous progress in recent years, their fabrication normally requires complex steps or expensive equipment. In this paper, we report a facile one-step method based on an emulsion solvent evaporation process to fabricate multifunctional micromotors. By simultaneously incorporating various components into an oil-in-water droplet, upon emulsification and solidification, a sphere-shaped, asymmetric, and multifunctional micromotor is formed. Some of the attractive functions of this model micromotor include autonomous movement in high ionic strength solution, remote control, enzymatic disassembly and sustained release. This one-step, versatile fabrication method can be easily scaled up and therefore may have great potential in mass production of multifunctional micromotors for a wide range of practical applications. Electronic supplementary information (ESI) available: Videos S1-S4 and Fig. S1-S3. See DOI: 10.1039/c5nr03574k
Interacting steps with finite-range interactions: Analytical approximation and numerical results
NASA Astrophysics Data System (ADS)
Jaramillo, Diego Felipe; Téllez, Gabriel; González, Diego Luis; Einstein, T. L.
2013-05-01
We calculate an analytical expression for the terrace-width distribution P(s) for an interacting step system with nearest- and next-nearest-neighbor interactions. Our model is derived by mapping the step system onto a statistically equivalent one-dimensional system of classical particles. The validity of the model is tested with several numerical simulations and experimental results. We explore the effect of the range of interactions q on the functional form of the terrace-width distribution and pair correlation functions. For physically plausible interactions, we find modest changes when next-nearest neighbor interactions are included and generally negligible changes when more distant interactions are allowed. We discuss methods for extracting from simulated experimental data the characteristic scale-setting terms in assumed potential forms.
Inverting pump-probe spectroscopy for state tomography of excitonic systems.
Hoyer, Stephan; Whaley, K Birgitta
2013-04-28
We propose a two-step protocol for inverting ultrafast spectroscopy experiments on a molecular aggregate to extract the time-evolution of the excited state density matrix. The first step is a deconvolution of the experimental signal to determine a pump-dependent response function. The second step inverts this response function to obtain the quantum state of the system, given a model for how the system evolves following the probe interaction. We demonstrate this inversion analytically and numerically for a dimer model system, and evaluate the feasibility of scaling it to larger molecular aggregates such as photosynthetic protein-pigment complexes. Our scheme provides a direct alternative to the approach of determining all Hamiltonian parameters and then simulating excited state dynamics.
Predicting home and community walking activity in people with stroke.
Fulk, George D; Reynolds, Chelsea; Mondal, Sumona; Deutsch, Judith E
2010-10-01
To determine the ability of the 6-minute walk test (6MWT) and other commonly used clinical outcome measures to predict home and community walking activity in high-functioning people with stroke. Cross-sectional. Outpatient physical therapy clinic. Participants (N=32) with chronic stroke (n=19; >6mo poststroke) with self-selected gait speed (GS) faster than .40m/s and age-matched healthy participants (n=13). Not applicable. 6MWT, self-selected GS, Berg Balance Scale (BBS), lower extremity motor section of the Fugl-Meyer Assessment, and Stroke Impact Scale. Dependent variable: average steps taken per day during a 7-day period, measured using an accelerometer. 6MWT, self-selected GS, and BBS were moderately related to home and community walking activity. The 6MWT was the only predictor of average steps taken per day; it explained 46% of the variance in steps per day. The 6MWT is a useful outcome measure in higher functioning people with stroke to guide intervention and assess community walking activity. Copyright © 2010 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Danel, J.-F.; Kazandjian, L.
2018-06-01
It is shown that the equation of state (EOS) and the radial distribution functions obtained by density-functional theory molecular dynamics (DFT-MD) obey a simple scaling law. At given temperature, the thermodynamic properties and the radial distribution functions given by a DFT-MD simulation remain unchanged if the mole fractions of nuclei of given charge and the average volume per atom remain unchanged. A practical interest of this scaling law is to obtain an EOS table for a fluid from that already obtained for another fluid if it has the right characteristics. Another practical interest of this result is that an asymmetric mixture made up of light and heavy atoms requiring very different time steps can be replaced by a mixture of atoms of equal mass, which facilitates the exploration of the configuration space in a DFT-MD simulation. The scaling law is illustrated by numerical results.
NASA Astrophysics Data System (ADS)
Kandel, D. D.; Western, A. W.; Grayson, R. B.
2004-12-01
Mismatches in scale between the fundamental processes, the model and supporting data are a major limitation in hydrologic modelling. Surface runoff generation via infiltration excess and the process of soil erosion are fundamentally short time-scale phenomena and their average behaviour is mostly determined by the short time-scale peak intensities of rainfall. Ideally, these processes should be simulated using time-steps of the order of minutes to appropriately resolve the effect of rainfall intensity variations. However, sub-daily data support is often inadequate and the processes are usually simulated by calibrating daily (or even coarser) time-step models. Generally process descriptions are not modified but rather effective parameter values are used to account for the effect of temporal lumping, assuming that the effect of the scale mismatch can be counterbalanced by tuning the parameter values at the model time-step of interest. Often this results in parameter values that are difficult to interpret physically. A similar approach is often taken spatially. This is problematic as these processes generally operate or interact non-linearly. This indicates a need for better techniques to simulate sub-daily processes using daily time-step models while still using widely available daily information. A new method applicable to many rainfall-runoff-erosion models is presented. The method is based on temporal scaling using statistical distributions of rainfall intensity to represent sub-daily intensity variations in a daily time-step model. This allows the effect of short time-scale nonlinear processes to be captured while modelling at a daily time-step, which is often attractive due to the wide availability of daily forcing data. The approach relies on characterising the rainfall intensity variation within a day using a cumulative distribution function (cdf). This cdf is then modified by various linear and nonlinear processes typically represented in hydrological and erosion models. The statistical description of sub-daily variability is thus propagated through the model, allowing the effects of variability to be captured in the simulations. This results in cdfs of various fluxes, the integration of which over a day gives respective daily totals. Using 42-plot-years of surface runoff and soil erosion data from field studies in different environments from Australia and Nepal, simulation results from this cdf approach are compared with the sub-hourly (2-minute for Nepal and 6-minute for Australia) and daily models having similar process descriptions. Significant improvements in the simulation of surface runoff and erosion are achieved, compared with a daily model that uses average daily rainfall intensities. The cdf model compares well with a sub-hourly time-step model. This suggests that the approach captures the important effects of sub-daily variability while utilizing commonly available daily information. It is also found that the model parameters are more robustly defined using the cdf approach compared with the effective values obtained at the daily scale. This suggests that the cdf approach may offer improved model transferability spatially (to other areas) and temporally (to other periods).
Development of a Multidimensional Functional Health Scale for Older Adults in China.
Mao, Fanzhen; Han, Yaofeng; Chen, Junze; Chen, Wei; Yuan, Manqiong; Alicia Hong, Y; Fang, Ya
2016-05-01
A first step to achieve successful aging is assessing functional wellbeing of older adults. This study reports the development of a culturally appropriate brief scale (the Multidimensional Functional Health Scale for Chinese Elderly, MFHSCE) to assess the functional health of Chinese elderly. Through systematic literature review, Delphi method, cultural adaptation, synthetic statistical item selection, Cronbach's alpha and confirmatory factor analysis, we conducted development of item pool, two rounds of item selection, and psychometric evaluation. Synthetic statistical item selection and psychometric evaluation was processed among 539 and 2032 older adults, separately. The MFHSCE consists of 30 items, covering activities of daily living, social relationships, physical health, mental health, cognitive function, and economic resources. The Cronbach's alpha was 0.92, and the comparative fit index was 0.917. The MFHSCE has good internal consistency and construct validity; it is also concise and easy to use in general practice, especially in communities in China.
A secure image encryption method based on dynamic harmony search (DHS) combined with chaotic map
NASA Astrophysics Data System (ADS)
Mirzaei Talarposhti, Khadijeh; Khaki Jamei, Mehrzad
2016-06-01
In recent years, there has been increasing interest in the security of digital images. This study focuses on the gray scale image encryption using dynamic harmony search (DHS). In this research, first, a chaotic map is used to create cipher images, and then the maximum entropy and minimum correlation coefficient is obtained by applying a harmony search algorithm on them. This process is divided into two steps. In the first step, the diffusion of a plain image using DHS to maximize the entropy as a fitness function will be performed. However, in the second step, a horizontal and vertical permutation will be applied on the best cipher image, which is obtained in the previous step. Additionally, DHS has been used to minimize the correlation coefficient as a fitness function in the second step. The simulation results have shown that by using the proposed method, the maximum entropy and the minimum correlation coefficient, which are approximately 7.9998 and 0.0001, respectively, have been obtained.
Falcaro, Paolo; Okada, Kenji; Hara, Takaaki; Ikigaki, Ken; Tokudome, Yasuaki; Thornton, Aaron W; Hill, Anita J; Williams, Timothy; Doonan, Christian; Takahashi, Masahide
2017-03-01
The fabrication of oriented, crystalline films of metal-organic frameworks (MOFs) is a critical step toward their application to advanced technologies such as optics, microelectronics, microfluidics and sensing. However, the direct synthesis of MOF films with controlled crystalline orientation remains a significant challenge. Here we report a one-step approach, carried out under mild conditions, that exploits heteroepitaxial growth for the rapid fabrication of oriented polycrystalline MOF films on the centimetre scale. Our methodology employs crystalline copper hydroxide as a substrate and yields MOF films with oriented pore channels on scales that primarily depend on the dimensions of the substrate. To demonstrate that an anisotropic crystalline morphology can translate to a functional property, we assembled a centimetre-scale MOF film in the presence of a dye and showed that the optical response could be switched 'ON' or 'OFF' by simply rotating the film.
Attitude-Independent Magnetometer Calibration for Spin-Stabilized Spacecraft
NASA Technical Reports Server (NTRS)
Natanson, Gregory
2005-01-01
The paper describes a three-step estimator to calibrate a Three-Axis Magnetometer (TAM) using TAM and slit Sun or star sensor measurements. In the first step, the Calibration Utility forms a loss function from the residuals of the magnitude of the geomagnetic field. This loss function is minimized with respect to biases, scale factors, and nonorthogonality corrections. The second step minimizes residuals of the projection of the geomagnetic field onto the spin axis under the assumption that spacecraft nutation has been suppressed by a nutation damper. Minimization is done with respect to various directions of the body spin axis in the TAM frame. The direction of the spin axis in the inertial coordinate system required for the residual computation is assumed to be unchanged with time. It is either determined independently using other sensors or included in the estimation parameters. In both cases all estimation parameters can be found using simple analytical formulas derived in the paper. The last step is to minimize a third loss function formed by residuals of the dot product between the geomagnetic field and Sun or star vector with respect to the misalignment angle about the body spin axis. The method is illustrated by calibrating TAM for the Fast Auroral Snapshot Explorer (FAST) using in-flight TAM and Sun sensor data. The estimated parameters include magnetic biases, scale factors, and misalignment angles of the spin axis in the TAM frame. Estimation of the misalignment angle about the spin axis was inconclusive since (at least for the selected time interval) the Sun vector was about 15 degrees from the direction of the spin axis; as a result residuals of the dot product between the geomagnetic field and Sun vectors were to a large extent minimized as a by-product of the second step.
Xu, Jian; Chatterjee, Manavi; Baguley, Tyler D.; Brouillette, Jonathan; Kurup, Pradeep; Ghosh, Debolina; Kanyo, Jean; Zhang, Yang; Seyb, Kathleen; Ononenyi, Chimezie; Foscue, Ethan; Anderson, George M.; Gresack, Jodi; Cuny, Gregory D.; Glicksman, Marcie A.; Greengard, Paul; Lam, TuKiet T.; Tautz, Lutz; Nairn, Angus C.; Ellman, Jonathan A.; Lombroso, Paul J.
2014-01-01
STEP (STriatal-Enriched protein tyrosine Phosphatase) is a neuron-specific phosphatase that regulates N-methyl-D-aspartate receptor (NMDAR) and α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) trafficking, as well as ERK1/2, p38, Fyn, and Pyk2 activity. STEP is overactive in several neuropsychiatric and neurodegenerative disorders, including Alzheimer's disease (AD). The increase in STEP activity likely disrupts synaptic function and contributes to the cognitive deficits in AD. AD mice lacking STEP have restored levels of glutamate receptors on synaptosomal membranes and improved cognitive function, results that suggest STEP as a novel therapeutic target for AD. Here we describe the first large-scale effort to identify and characterize small-molecule STEP inhibitors. We identified the benzopentathiepin 8-(trifluoromethyl)-1,2,3,4,5-benzopentathiepin-6-amine hydrochloride (known as TC-2153) as an inhibitor of STEP with an IC50 of 24.6 nM. TC-2153 represents a novel class of PTP inhibitors based upon a cyclic polysulfide pharmacophore that forms a reversible covalent bond with the catalytic cysteine in STEP. In cell-based secondary assays, TC-2153 increased tyrosine phosphorylation of STEP substrates ERK1/2, Pyk2, and GluN2B, and exhibited no toxicity in cortical cultures. Validation and specificity experiments performed in wild-type (WT) and STEP knockout (KO) cortical cells and in vivo in WT and STEP KO mice suggest specificity of inhibitors towards STEP compared to highly homologous tyrosine phosphatases. Furthermore, TC-2153 improved cognitive function in several cognitive tasks in 6- and 12-mo-old triple transgenic AD (3xTg-AD) mice, with no change in beta amyloid and phospho-tau levels. PMID:25093460
NASA Astrophysics Data System (ADS)
Takatsuji, Toshiyuki; Tanaka, Ken-ichi
1996-06-01
A procedure is derived by which sensory attributes can be scaled as a function of various physical and/or chemical properties of the object to be tested. This procedure consists of four successive steps: (i) design and experiment, (ii) fabrication of specimens according to the design parameters, (iii) assessment of a sensory attribute using sensory evaluation and (iv) derivation of the relationship between the parameters and the sensory attribute. In these steps an experimental design using orthogonal arrays, analysis of variance and regression analyses are used strategically. When a specimen with the design parameters cannot be physically fabricated, an alternative specimen having parameters closest to the design is selected from a group of specimens which can be physically made. The influence of the deviation of actual parameters from the desired ones is also discussed. A method of confirming the validity of the regression equation is also investigated. The procedure is applied to scale the sensory sharpness of kitchen knives as a function of the edge angle and the roughness of the cutting edge.
Saad, Marcelo Camargo; Vasconcelos, Rodrigo Antunes de; Mancinelli, Letícia Villani de Oliveira; Munno, Matheus Soares de Barros; Liporaci, Rogério Ferreira; Grossi, Débora Bevilaqua
2018-04-04
To evaluate the effect of three types of exercise intervention in patients with patellofemoral pain and to verify the contributions of each intervention to pain control, function, and lower extremity kinematics. A randomized controlled, single-blinded trial was conducted. Forty women with patellofemoral pain were randomly allocated into four groups: hip exercises, quadriceps exercises, stretching exercises and a control group (no intervention). Pain (using a visual analog scale), function (using the Anterior Knee Pain Scale), hip and quadriceps strength (using a handheld isometric dynamometer) and measuring lower limb kinematics during step up and down activities were evaluated at baseline and 8 weeks post intervention. All treatment groups showed significant improvements on pain and Anterior Knee Pain Scale after intervention with no statistically significant differences between groups except when compared to the control group. Only hip and quadriceps groups demonstrated improvements in muscle strength and knee valgus angle during the step activities. Hip strengthening exercises were not more effective for pain relief and function compared to quadriceps or stretching exercises in females with patellofemoral pain. Only hip and quadriceps groups were able to decrease the incidence of dynamic valgus during step-down activity. This study was approved by Brazilian Clinical Trials Registry registration number: RBR-6tc7mj (http://www.ensaiosclinicos.gov.br/rg/RBR-6tc7mj/). Copyright © 2018 Associação Brasileira de Pesquisa e Pós-Graduação em Fisioterapia. Publicado por Elsevier Editora Ltda. All rights reserved.
Hornby, T George; Holleran, Carey L; Leddy, Abigail L; Hennessy, Patrick; Leech, Kristan A; Connolly, Mark; Moore, Jennifer L; Straube, Donald; Lovell, Linda; Roth, Elliot
2015-01-01
Optimal physical therapy strategies to maximize locomotor function in patients early poststroke are not well established. Emerging data indicate that substantial amounts of task-specific stepping practice may improve locomotor function, although stepping practice provided during inpatient rehabilitation is limited (<300 steps/session). The purpose of this investigation was to determine the feasibility of providing focused stepping training to patients early poststroke and its potential association with walking and other mobility outcomes. Daily stepping was recorded on 201 patients <6 months poststroke (80% < 1 month) during inpatient rehabilitation following implementation of a focused training program to maximize stepping practice during clinical physical therapy sessions. Primary outcomes included distance and physical assistance required during a 6-minute walk test (6MWT) and balance using the Berg Balance Scale (BBS). Retrospective data analysis included multiple regression techniques to evaluate the contributions of demographics, training activities, and baseline motor function to primary outcomes at discharge. Median stepping activity recorded from patients was 1516 steps/d, which is 5 to 6 times greater than that typically observed. The number of steps per day was positively correlated with both discharge 6MWT and BBS and improvements from baseline (changes; r = 0.40-0.87), independently contributing 10% to 31% of the total variance. Stepping activity also predicted level of assistance at discharge and discharge location (home vs other facility). Providing focused, repeated stepping training was feasible early poststroke during inpatient rehabilitation and was related to mobility outcomes. Further research is required to evaluate the effectiveness of these training strategies on short- or long-term mobility outcomes as compared with conventional interventions. © The Author(s) 2015.
Dholabhai, Pratik P; Aguiar, Jeffery A; Misra, Amit; Uberuaga, Blas P
2014-05-21
Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer improved functionalities in a wide variety of advanced technological applications, including their potential use as radiation tolerant materials. To better understand the role of interface structures in influencing the radiation damage tolerance of oxides, we have conducted atomistic calculations to elucidate the behavior of radiation-induced point defects (vacancies and interstitials) at interface steps in a model CeO2/SrTiO3 system. We find that atomic-scale steps at the interface have substantial influence on the defect behavior, which ultimately dictate the material performance in hostile irradiation environments. Distinctive steps react dissimilarly to cation and anion defects, effectively becoming biased sinks for different types of defects. Steps also attract cation interstitials, leaving behind an excess of immobile vacancies. Further, defects introduce significant structural and chemical distortions primarily at the steps. These two factors are plausible origins for the enhanced amorphization at steps seen in our recent experiments. The present work indicates that comprehensive examination of the interaction of radiation-induced point defects with the atomic-scale topology and defect structure of heterointerfaces is essential to evaluate the radiation tolerance of nanocomposites. Finally, our results have implications for other applications, such as fast ion conduction.
DES Prediction of Cavitation Erosion and Its Validation for a Ship Scale Propeller
NASA Astrophysics Data System (ADS)
Ponkratov, Dmitriy, Dr
2015-12-01
Lloyd's Register Technical Investigation Department (LR TID) have developed numerical functions for the prediction of cavitation erosion aggressiveness within Computational Fluid Dynamics (CFD) simulations. These functions were previously validated for a model scale hydrofoil and ship scale rudder [1]. For the current study the functions were applied to a cargo ship's full scale propeller, on which the severe cavitation erosion was reported. The performed Detach Eddy Simulation (DES) required a fine computational mesh (approximately 22 million cells), together with a very small time step (2.0E-4 s). As the cavitation for this type of vessel is primarily caused by a highly non-uniform wake, the hull was also included in the simulation. The applied method under predicted the cavitation extent and did not fully resolve the tip vortex; however, the areas of cavitation collapse were captured successfully. Consequently, the developed functions showed a very good prediction of erosion areas, as confirmed by comparison with underwater propeller inspection results.
Building a Laboratory-Scale Biogas Plant and Verifying its Functionality
NASA Astrophysics Data System (ADS)
Boleman, Tomáš; Fiala, Jozef; Blinová, Lenka; Gerulová, Kristína
2011-01-01
The paper deals with the process of building a laboratory-scale biogas plant and verifying its functionality. The laboratory-scale prototype was constructed in the Department of Safety and Environmental Engineering at the Faculty of Materials Science and Technology in Trnava, of the Slovak University of Technology. The Department has already built a solar laboratory to promote and utilise solar energy, and designed SETUR hydro engine. The laboratory is the next step in the Department's activities in the field of renewable energy sources and biomass. The Department is also involved in the European Union project, where the goal is to upgrade all existed renewable energy sources used in the Department.
Statistical self-similarity of width function maxima with implications to floods
Veitzer, S.A.; Gupta, V.K.
2001-01-01
Recently a new theory of random self-similar river networks, called the RSN model, was introduced to explain empirical observations regarding the scaling properties of distributions of various topologic and geometric variables in natural basins. The RSN model predicts that such variables exhibit statistical simple scaling, when indexed by Horton-Strahler order. The average side tributary structure of RSN networks also exhibits Tokunaga-type self-similarity which is widely observed in nature. We examine the scaling structure of distributions of the maximum of the width function for RSNs for nested, complete Strahler basins by performing ensemble simulations. The maximum of the width function exhibits distributional simple scaling, when indexed by Horton-Strahler order, for both RSNs and natural river networks extracted from digital elevation models (DEMs). We also test a powerlaw relationship between Horton ratios for the maximum of the width function and drainage areas. These results represent first steps in formulating a comprehensive physical statistical theory of floods at multiple space-time scales for RSNs as discrete hierarchical branching structures. ?? 2001 Published by Elsevier Science Ltd.
Living environment and mobility of older adults.
Cress, M Elaine; Orini, Stefania; Kinsler, Laura
2011-01-01
Older adults often elect to move into smaller living environments. Smaller living space and the addition of services provided by a retirement community (RC) may make living easier for the individual, but it may also reduce the amount of daily physical activity and ultimately reduce functional ability. With home size as an independent variable, the primary purpose of this study was to evaluate daily physical activity and physical function of community dwellers (CD; n = 31) as compared to residents of an RC (n = 30). In this cross-sectional study design, assessments included: the Continuous Scale Physical Functional Performance - 10 test, with a possible range of 0-100, higher scores reflecting better function; Step Activity Monitor (StepWatch 3.1); a physical activity questionnaire, the area of the home (in square meters). Groups were compared by one-way ANOVA. A general linear regression model was used to predict the number of steps per day at home. The level of significance was p < 0.05. Of the 61 volunteers (mean age: 79 ± 6.3 years; range: 65-94 years), the RC living space (68 ± 37.7 m(2)) was 62% smaller than the CD living space (182.8 ± 77.9 m(2); p = 0.001). After correcting for age, the RC took fewer total steps per day excluding exercise (p = 0.03) and had lower function (p = 0.005) than the CD. On average, RC residents take 3,000 steps less per day and have approximately 60% of the living space of a CD. Home size and physical function were primary predictors of the number of steps taken at home, as found using a general linear regression analysis. Copyright © 2010 S. Karger AG, Basel.
Interobserver Agreement in Clinical Grading of Vitreous Haze Using Alternative Grading Scales
Hornbeak, Dana M; Payal, Abhishek; Pistilli, Maxwell; Biswas, Jyotirmay; Ganesh, Sudha K; Gupta, Vishali; Rathinam, Sivakumar R; Davis, Janet L; Kempen, John H
2014-01-01
Purpose To evaluate the reliability of clinical grading of vitreous haze using a new 9-step ordinal scale vs. the existing 6-step ordinal scale. Design Evaluation of Diagnostic Test (interobserver agreement study). Participants 119 consecutive patients (204 uveitic eyes) presenting for uveitis subspecialty care on the study day at one of three large uveitis centers. Methods Five pairs of uveitis specialists clinically graded vitreous haze in the same eyes, one after the other using the same equipment, using the 6- and 9-step scales. Main Outcome Measures Agreement in vitreous haze grade between each pair of specialists was evaluated by the κ statistic (exact agreement and agreement within one or two grades). Results The scales correlated well (Spearman’s ρ=0.84). Exact agreement was modest using both the 6-step and 9-step scales: average κ=0.46 (range 0.28–0.81) and κ=0.40 (range 0.15–0.63), respectively. Within-1-grade agreement was slightly more favorable for the scale with fewer steps, but values were excellent for both scales: κ=0.75 (range 0.66–0.96) and κ=0.62 (range 0.38–0.87), respectively. Within-2-grade agreement for the 9-step scale also was excellent [κ=0.85 (range 0.79–0.92)]. Two-fold more cases were potentially clinical trial eligible based on the 9- than the 6-step scale (p<0.001). Conclusions Both scales are sufficiently reproducible using clinical grading for clinical and research use with the appropriate threshold (a ≥2 and ≥3 step differences for the 6-step and 9-step scales respectively). The results suggest that more eyes are likely to meet eligibility criteria for trials using the 9-step scale. The 9-step scale appears to have higher reproducibility with Reading Center grading than clinical grading, suggesting Reading Center grading may be preferable for clinical trials. PMID:24697913
One-step fabrication of multifunctional micromotors.
Gao, Wenlong; Liu, Mei; Liu, Limei; Zhang, Hui; Dong, Bin; Li, Christopher Y
2015-09-07
Although artificial micromotors have undergone tremendous progress in recent years, their fabrication normally requires complex steps or expensive equipment. In this paper, we report a facile one-step method based on an emulsion solvent evaporation process to fabricate multifunctional micromotors. By simultaneously incorporating various components into an oil-in-water droplet, upon emulsification and solidification, a sphere-shaped, asymmetric, and multifunctional micromotor is formed. Some of the attractive functions of this model micromotor include autonomous movement in high ionic strength solution, remote control, enzymatic disassembly and sustained release. This one-step, versatile fabrication method can be easily scaled up and therefore may have great potential in mass production of multifunctional micromotors for a wide range of practical applications.
Automatic alignment method for calibration of hydrometers
NASA Astrophysics Data System (ADS)
Lee, Y. J.; Chang, K. H.; Chon, J. C.; Oh, C. Y.
2004-04-01
This paper presents a new method to automatically align specific scale-marks for the calibration of hydrometers. A hydrometer calibration system adopting the new method consists of a vision system, a stepping motor, and software to control the system. The vision system is composed of a CCD camera and a frame grabber, and is used to acquire images. The stepping motor moves the camera, which is attached to the vessel containing a reference liquid, along the hydrometer. The operating program has two main functions: to process images from the camera to find the position of the horizontal plane and to control the stepping motor for the alignment of the horizontal plane with a particular scale-mark. Any system adopting this automatic alignment method is a convenient and precise means of calibrating a hydrometer. The performance of the proposed method is illustrated by comparing the calibration results using the automatic alignment method with those obtained using the manual method.
Nonperturbative evaluation for anomalous dimension in 2-dimensional O (3 ) sigma model
NASA Astrophysics Data System (ADS)
Calle Jimenez, Sergio; Oka, Makoto; Sasaki, Kiyoshi
2018-06-01
We nonperturbatively calculate the wave-function renormalization in the two-dimensional O (3 ) sigma model. It is evaluated in a box with a finite spatial extent. We determine the anomalous dimension in the finite-volume scheme through an analysis of the step-scaling function. Results are compared with a perturbative evaluation, and reasonable behavior is observed.
The morphing of geographical features by Fourier transformation.
Li, Jingzhong; Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang
2018-01-01
This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features' continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable.
The Relaxation of Vicinal (001) with ZigZag [110] Steps
NASA Astrophysics Data System (ADS)
Hawkins, Micah; Hamouda, Ajmi Bh; González-Cabrera, Diego Luis; Einstein, Theodore L.
2012-02-01
This talk presents a kinetic Monte Carlo study of the relaxation dynamics of [110] steps on a vicinal (001) simple cubic surface. This system is interesting because [110] steps have different elementary excitation energetics and favor step diffusion more than close-packed [100] steps. In this talk we show how this leads to relaxation dynamics showing greater fluctuations on a shorter time scale for [110] steps as well as 2-bond breaking processes being rate determining in contrast to 3-bond breaking processes for [100] steps. The existence of a steady state is shown via the convergence of terrace width distributions at times much longer than the relaxation time. In this time regime excellent fits to the modified generalized Wigner distribution (as well as to the Berry-Robnik model when steps can overlap) were obtained. Also, step-position correlation function data show diffusion-limited increase for small distances along the step as well as greater average step displacement for zigzag steps compared to straight steps for somewhat longer distances along the step. Work supported by NSF-MRSEC Grant DMR 05-20471 as well as a DOE-CMCSN Grant.
Effectively-truncated large-scale shell-model calculations and nuclei around 100Sn
NASA Astrophysics Data System (ADS)
Gargano, A.; Coraggio, L.; Itaco, N.
2017-09-01
This paper presents a short overview of a procedure we have recently introduced, dubbed the double-step truncation method, which is aimed to reduce the computational complexity of large-scale shell-model calculations. Within this procedure, one starts with a realistic shell-model Hamiltonian defined in a large model space, and then, by analyzing the effective single particle energies of this Hamiltonian as a function of the number of valence protons and/or neutrons, reduced model spaces are identified containing only the single-particle orbitals relevant to the description of the spectroscopic properties of a certain class of nuclei. As a final step, new effective shell-model Hamiltonians defined within the reduced model spaces are derived by way of a unitary transformation of the original large-scale Hamiltonian. A detailed account of this transformation is given and the merit of the double-step truncation method is illustrated by discussing few selected results for 96Mo, described as four protons and four neutrons outside 88Sr. Some new preliminary results for light odd-tin isotopes from A = 101 to 107 are also reported.
2012-03-01
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Distribution of Steps with Finite-Range Interactions: Analytic Approximations and Numerical Results
NASA Astrophysics Data System (ADS)
GonzáLez, Diego Luis; Jaramillo, Diego Felipe; TéLlez, Gabriel; Einstein, T. L.
2013-03-01
While most Monte Carlo simulations assume only nearest-neighbor steps interact elastically, most analytic frameworks (especially the generalized Wigner distribution) posit that each step elastically repels all others. In addition to the elastic repulsions, we allow for possible surface-state-mediated interactions. We investigate analytically and numerically how next-nearest neighbor (NNN) interactions and, more generally, interactions out to q'th nearest neighbor alter the form of the terrace-width distribution and of pair correlation functions (i.e. the sum over n'th neighbor distribution functions, which we investigated recently.[2] For physically plausible interactions, we find modest changes when NNN interactions are included and generally negligible changes when more distant interactions are allowed. We discuss methods for extracting from simulated experimental data the characteristic scale-setting terms in assumed potential forms.
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites.
Wu, Xiaoxi; Tan, Liang Z; Shen, Xiaozhe; Hu, Te; Miyata, Kiyoshi; Trinh, M Tuan; Li, Renkai; Coffee, Ryan; Liu, Shi; Egger, David A; Makasyuk, Igor; Zheng, Qiang; Fry, Alan; Robinson, Joseph S; Smith, Matthew D; Guzelturk, Burak; Karunadasa, Hemamala I; Wang, Xijie; Zhu, Xiaoyang; Kronik, Leeor; Rappe, Andrew M; Lindenberg, Aaron M
2017-07-01
Femtosecond resolution electron scattering techniques are applied to resolve the first atomic-scale steps following absorption of a photon in the prototypical hybrid perovskite methylammonium lead iodide. Following above-gap photoexcitation, we directly resolve the transfer of energy from hot carriers to the lattice by recording changes in the mean square atomic displacements on 10-ps time scales. Measurements of the time-dependent pair distribution function show an unexpected broadening of the iodine-iodine correlation function while preserving the Pb-I distance. This indicates the formation of a rotationally disordered halide octahedral structure developing on picosecond time scales. This work shows the important role of light-induced structural deformations within the inorganic sublattice in elucidating the unique optoelectronic functionality exhibited by hybrid perovskites and provides new understanding of hot carrier-lattice interactions, which fundamentally determine solar cell efficiencies.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe
Femtosecond resolution electron scattering techniques are applied to resolve the first atomic-scale steps following absorption of a photon in the prototypical hybrid perovskite methylammonium lead iodide. Following above-gap photoexcitation, we directly resolve the transfer of energy from hot carriers to the lattice by recording changes in the mean square atomic displacements on 10-ps time scales. Measurements of the time-dependent pair distribution function show an unexpected broadening of the iodine-iodine correlation function while preserving the Pb-I distance. This indicates the formation of a rotationally disordered halide octahedral structure developing on picosecond time scales. Here, this work shows the important role ofmore » light-induced structural deformations within the inorganic sublattice in elucidating the unique optoelectronic functionality exhibited by hybrid perovskites and provides new understanding of hot carrier-lattice interactions, which fundamentally determine solar cell efficiencies.« less
Niman, Cassandra S; Zuckermann, Martin J; Balaz, Martina; Tegenfeldt, Jonas O; Curmi, Paul M G; Forde, Nancy R; Linke, Heiner
2014-12-21
Synthetic molecular motors typically take nanometer-scale steps through rectification of thermal motion. Here we propose Inchworm, a DNA-based motor that employs a pronounced power stroke to take micrometer-scale steps on a time scale of seconds, and we design, fabricate, and analyze the nanofluidic device needed to operate the motor. Inchworm is a kbp-long, double-stranded DNA confined inside a nanochannel in a stretched configuration. Motor stepping is achieved through externally controlled changes in salt concentration (changing the DNA's extension), coordinated with ligand-gated binding of the DNA's ends to the functionalized nanochannel surface. Brownian dynamics simulations predict that Inchworm's stall force is determined by its entropic spring constant and is ∼ 0.1 pN. Operation of the motor requires periodic cycling of four different buffers surrounding the DNA inside a nanochannel, while keeping constant the hydrodynamic load force on the DNA. We present a two-layer fluidic device incorporating 100 nm-radius nanochannels that are connected through a few-nm-wide slit to a microfluidic system used for in situ buffer exchanges, either diffusionally (zero flow) or with controlled hydrodynamic flow. Combining experiment with finite-element modeling, we demonstrate the device's key performance features and experimentally establish achievable Inchworm stepping times of the order of seconds or faster.
Estimating heterotrophic respiration at large scales: challenges, approaches, and next steps
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bond-Lamberty, Benjamin; Epron, Daniel; Harden, Jennifer W.
2016-06-27
Heterotrophic respiration (HR), the aerobic and anaerobic processes mineralizing organic matter, is a key carbon flux but one impossible to measure at scales significantly larger than small experimental plots. This impedes our ability to understand carbon and nutrient cycles, benchmark models, or reliably upscale point measurements. Given that a new generation of highly mechanistic, genomic-specific global models is not imminent, we suggest that a useful step to improve this situation would be the development of "Decomposition Functional Types" (DFTs). Analogous to plant functional types (PFTs), DFTs would abstract and capture important differences in HR metabolism and flux dynamics, allowing modelsmore » to efficiently group and vary these characteristics across space and time. We argue that DFTs should be initially informed by top-down expert opinion, but ultimately developed using bottom-up, data-driven analyses, and provide specific examples of potential dependent and independent variables that could be used. We present and discuss an example clustering analysis to show how model-produced annual HR can be broken into distinct groups associated with global variability in biotic and abiotic factors, and demonstrate that these groups are distinct from already-existing PFTs. A similar analysis, incorporating observational data, could form a basis for future DFTs. Finally, we suggest next steps and critical priorities: collection and synthesis of existing data; more in-depth analyses combining open data with high-performance computing; rigorous testing of analytical results; and planning by the global modeling community for decoupling decomposition from fixed site data. These are all critical steps to build a foundation for DFTs in global models, thus providing the ecological and climate change communities with robust, scalable estimates of HR at large scales.« less
Ge, Feng; Liu, Zhen; Lee, Seon Baek; Wang, Xiaohong; Zhang, Guobing; Lu, Hongbo; Cho, Kilwon; Qiu, Longzhen
2018-06-27
One-step deposition of bi-functional semiconductor-dielectric layers for organic field-effect transistors (OFETs) is an effective way to simplify the device fabrication. However, the proposed method has rarely been reported in large-area flexible organic electronics. Herein, we demonstrate wafer-scale OFETs by bar coating the semiconducting and insulating polymer blend solution in one-step. The semiconducting polymer poly(3-hexylthiophene) (P3HT) segregates on top of the blend film, whereas dielectric polymethyl methacrylate (PMMA) acts as the bottom layer, which is achieved by a vertical phase separation structure. The morphology of blend film can be controlled by varying the concentration of P3HT and PMMA solutions. The wafer-scale one-step OFETs, with a continuous ultrathin P3HT film of 2.7 nm, exhibit high electrical reproducibility and uniformity. The one-step OFETs extend to substrate-free arrays that can be attached everywhere on varying substrates. In addition, because of the well-ordered molecular arrangement, the moderate charge transport pathway is formed, which resulted in stable OFETs under various organic solvent vapors and lights of different wavelengths. The results demonstrate that the one-step OFETs have promising potential in the field of large-area organic wearable electronics.
Finite-size scaling for discontinuous nonequilibrium phase transitions
NASA Astrophysics Data System (ADS)
de Oliveira, Marcelo M.; da Luz, M. G. E.; Fiore, Carlos E.
2018-06-01
A finite-size scaling theory, originally developed only for transitions to absorbing states [Phys. Rev. E 92, 062126 (2015), 10.1103/PhysRevE.92.062126], is extended to distinct sorts of discontinuous nonequilibrium phase transitions. Expressions for quantities such as response functions, reduced cumulants, and equal area probability distributions are derived from phenomenological arguments. Irrespective of system details, all these quantities scale with the volume, establishing the dependence on size. The approach generality is illustrated through the analysis of different models. The present results are a relevant step in trying to unify the scaling behavior description of nonequilibrium transition processes.
Two-Step Incision for Periarterial Sympathectomy of the Hand.
Jeon, Seung Bae; Ahn, Hee Chang; Ahn, Yong Su; Choi, Matthew Seung Suk
2015-11-01
Surgical scars on the palmar surface of the hand may lead to functional and also aesthetic and psychological consequences. The objective of this study was to introduce a new incision technique for periarterial sympathectomy of the hand and to compare the results of the new two-step incision technique with those of a Koman incision by using an objective questionnaire. A total of 40 patients (17 men and 23 women) with intractable Raynaud's disease or syndrome underwent surgery in our hospital, conducted by a single surgeon, between January 2008 and January 2013. Patients who had undergone extended sympathectomy or vessel graft were excluded. Clinical evaluation of postoperative scars was performed in both groups one year after surgery using the patient and observer scar assessment scale (POSAS) and the Wake Forest University rating scale. The total patient score was 8.59 (range, 6-15) in the two-step incision group and 9.62 (range, 7-18) in the Koman incision group. A significant difference was found between the groups in the total PS score (P-value=0.034) but not in the total observer score. Our analysis found no significant difference in preoperative and postoperative Wake Forest University rating scale scores between the two-step and Koman incision groups. The time required for recovery prior to returning to work after surgery was shorter in the two-step incision group, with a mean of 29.48 days in the two-step incision group and 34.15 days in the Koman incision group (P=0.03). Compared to the Koman incision, the new two-step incision technique provides better aesthetic results, similar symptom improvement, and a reduction in the recovery time required before returning to work. Furthermore, this incision allows the surgeon to access a wide surgical field and a sufficient exposure of anatomical structures.
NASA Technical Reports Server (NTRS)
Gilbert, Kenneth E.; Di, Xiao; Wang, Lintao
1990-01-01
Weiner and Keast observed that in an upward-refracting atmosphere, the relative sound pressure level versus range follows a characteristic 'step' function. The observed step function has recently been predicted qualitatively and quantitatively by including the effects of small-scale turbulence in a parabolic equation (PE) calculation. (Gilbert et al., J. Acoust. Soc. Am. 87, 2428-2437 (1990)). The PE results to single-scattering calculations based on the distorted-wave Born approximation (DWBA) are compared. The purpose is to obtain a better understanding of the physical mechanisms that produce the step-function. The PE calculations and DWBA calculations are compared to each other and to the data of Weiner and Keast for upwind propagation (strong upward refraction) and crosswind propagation (weak upward refraction) at frequencies of 424 Hz and 848 Hz. The DWBA calculations, which include only single scattering from turbulence, agree with the PE calculations and with the data in all cases except for upwind propagation at 848 Hz. Consequently, it appears that in all cases except one, the observed step function can be understood in terms of single scattering from an upward-refracted 'skywave' into the refractive shadow zone. For upwind propagation at 848 Hz, the DWBA calculation gives levels in the shadow zone that are much below both the PE and the data.
Image editing with Adobe Photoshop 6.0.
Caruso, Ronald D; Postel, Gregory C
2002-01-01
The authors introduce Photoshop 6.0 for radiologists and demonstrate basic techniques of editing gray-scale cross-sectional images intended for publication and for incorporation into computerized presentations. For basic editing of gray-scale cross-sectional images, the Tools palette and the History/Actions palette pair should be displayed. The History palette may be used to undo a step or series of steps. The Actions palette is a menu of user-defined macros that save time by automating an action or series of actions. Converting an image to 8-bit gray scale is the first editing function. Cropping is the next action. Both decrease file size. Use of the smallest file size necessary for the purpose at hand is recommended. Final file size for gray-scale cross-sectional neuroradiologic images (8-bit, single-layer TIFF [tagged image file format] at 300 pixels per inch) intended for publication varies from about 700 Kbytes to 3 Mbytes. Final file size for incorporation into computerized presentations is about 10-100 Kbytes (8-bit, single-layer, gray-scale, high-quality JPEG [Joint Photographic Experts Group]), depending on source and intended use. Editing and annotating images before they are inserted into presentation software is highly recommended, both for convenience and flexibility. Radiologists should find that image editing can be carried out very rapidly once the basic steps are learned and automated. Copyright RSNA, 2002
The morphing of geographical features by Fourier transformation
Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang
2018-01-01
This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features’ continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable. PMID:29351344
Modeling multivariate time series on manifolds with skew radial basis functions.
Jamshidi, Arta A; Kirby, Michael J
2011-01-01
We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.
Self-propelled motion of Au-Si droplets on Si(111) mediated by monoatomic step dissolution
NASA Astrophysics Data System (ADS)
Curiotto, S.; Leroy, F.; Cheynis, F.; Müller, P.
2015-02-01
By Low Energy Electron Microscopy, we show that the spontaneous motion of gold droplets on silicon (111) is chemically driven: the droplets tend to dissolve silicon monoatomic steps to reach the temperature-dependent Au-Si equilibrium stoichiometry. According to the droplet size, the motion details are different. In the first stages of Au deposition small droplets nucleate at steps and move continuously on single terraces. The droplets temporarily pin at each step they meet during their motion. During pinning, the growing droplets become supersaturated in Au. They depin from the steps when a notch nucleate on the upper step. Then the droplets climb up and locally dissolve the Si steps, leaving behind them deep tracks formed by notched steps. Measurements of the dissolution rate and the displacement lengths enable us to describe quantitatively the motion mechanism, also in terms of anisotropy of Si dissolution kinetics. Scaling laws for the droplet position as a function of time are proposed: x ∝ tn with 1/3 < n < 2/3.
Kelly, John F; Pagano, Maria E; Stout, Robert L; Johnson, Shannon M
2011-11-01
Religious practices among adults are associated with more 12-step participation which, in turn, is linked to better treatment outcomes. Despite recommendations for adolescents to participate in mutual-help groups, little is known about how religious practices influence youth 12-step engagement and outcomes. This study examined the relationships among lifetime religiosity, during-treatment 12-step participation, and outcomes among adolescents, and tested whether any observed beneficial relation between higher religiosity and outcome could be explained by increased 12-step participation. Adolescents (n = 195; 52% female, ages 14-18) court-referred to a 2-month residential treatment were assessed at intake and discharge. Lifetime religiosity was assessed with the Religious Background and Behaviors Questionnaire; 12-step assessments measured meeting attendance, step work (General Alcoholics Anonymous Tools of Recovery), and Alcoholics Anonymous (AA)/Narcotics Anonymous (NA)-related helping. Substance-related outcomes and psychosocial outcomes were assessed with toxicology screens, the Adolescent-Obsessive Compulsive Drinking Scale, the Children's Global Assessment Scale, and the Narcissistic Personality Inventory. Greater lifetime formal religious practices at intake were associated with increased step work and AA/NA-related helping during treatment, which in turn were linked to improved substance outcomes, global functioning, and reduced narcissistic entitlement. Increased step work mediated the effect of religious practices on increased abstinence, whereas AA/NA-related helping mediated the effect of religiosity on reduced craving and entitlement. Findings extend the evidence for the protective effects of lifetime religious behaviors to an improved treatment response among adolescents and provide preliminary support for the 12-step proposition that helping others in recovery may lead to better outcomes. Youth with low or no lifetime religious practices may assimilate less well into 12-step-oriented treatment and may need additional 12-step facilitation, or a different approach, to enhance treatment response.
Gait dynamics in Pisa syndrome and Camptocormia: The role of stride length and hip kinematics.
Tramonti, C; Di Martino, S; Unti, E; Frosini, D; Bonuccelli, U; Rossi, B; Ceravolo, R; Chisari, C
2017-09-01
This is an observational cross-sectional study evaluating gait dynamics in patients with Parkinson's Disease (PD) and severe postural deformities, PD without axial deviations and healthy subjects. Ten PS individuals with Pisa syndrome (PS) and nine subjects with Camptocormia (CC) performed 3-D Gait Analysis and were evaluated with walking and balance scales. Correlations with clinical and functional scales were investigated. Spatio-temporal and kinematic data were compared to ten PD subjects without postural deformities (PP) and ten healthy matched individuals (CG). Data obtained showed decreased walking velocity, stride and step length in PP, PS and CC groups compared to controls. The correlation analysis showed that stride and step length were associated with reduced functional abilities and disease severity in PS and CC groups. Kinematic data revealed marked reduction in range of movements (ROMs) at all lower-extremity joints in PS group. While, in CC group the main differences were pronounced in hip and knee joints. PS and CC groups presented a more pronounced reduction in hip articular excursion compared to PP subjects, revealing an increased hip flexion pattern during gait cycle. Moreover, the increased hip and knee flexion pattern adversely affected functional performance during walking tests. Results obtained provide evidence that step length, along with stride length, can be proposed as simple and clear indicators of disease severity and reduced functional abilities. The reduction of ROMs at hip joint represented an important mechanism contributing to decreased walking velocity, balance impairment and reduced gait performance in PD patients with postural deformities. Copyright © 2017 Elsevier B.V. All rights reserved.
Tuncbag, Nurcan; Gursoy, Attila; Nussinov, Ruth; Keskin, Ozlem
2011-08-11
Prediction of protein-protein interactions at the structural level on the proteome scale is important because it allows prediction of protein function, helps drug discovery and takes steps toward genome-wide structural systems biology. We provide a protocol (termed PRISM, protein interactions by structural matching) for large-scale prediction of protein-protein interactions and assembly of protein complex structures. The method consists of two components: rigid-body structural comparisons of target proteins to known template protein-protein interfaces and flexible refinement using a docking energy function. The PRISM rationale follows our observation that globally different protein structures can interact via similar architectural motifs. PRISM predicts binding residues by using structural similarity and evolutionary conservation of putative binding residue 'hot spots'. Ultimately, PRISM could help to construct cellular pathways and functional, proteome-scale annotation. PRISM is implemented in Python and runs in a UNIX environment. The program accepts Protein Data Bank-formatted protein structures and is available at http://prism.ccbb.ku.edu.tr/prism_protocol/.
NASA Astrophysics Data System (ADS)
Farace, Paolo
2014-11-01
A two-steps procedure is presented to convert dual-energy CT data to stopping power ratio (SPR), relative to water. In the first step the relative electron density (RED) is calculated from dual-energy CT-numbers by means of a bi-linear relationship: RED = a HUscH + b HUscL + c, where HUscH and HUscL are scaled units (HUsc = HU + 1000) acquired at high and low energy respectively, and the three parameters a, b and c has to be determined for each CT scanner. In the second step the RED values were converted into SPR by means of published poly-line functions, which are invariant as they do not depend on a specific CT scanner. The comparison with other methods provides encouraging results, with residual SPR error on human tissue within 1%. The distinctive features of the proposed method are its simplicity and the generality of the conversion functions.
Farace, Paolo
2014-11-21
A two-steps procedure is presented to convert dual-energy CT data to stopping power ratio (SPR), relative to water. In the first step the relative electron density (RED) is calculated from dual-energy CT-numbers by means of a bi-linear relationship: RED=a HUscH+b HUscL+c, where HUscH and HUscL are scaled units (HUsc=HU+1000) acquired at high and low energy respectively, and the three parameters a, b and c has to be determined for each CT scanner. In the second step the RED values were converted into SPR by means of published poly-line functions, which are invariant as they do not depend on a specific CT scanner. The comparison with other methods provides encouraging results, with residual SPR error on human tissue within 1%. The distinctive features of the proposed method are its simplicity and the generality of the conversion functions.
NASA Astrophysics Data System (ADS)
Dove, P. M.; Davis, K. J.; De Yoreo, J. J.; Orme, C. A.
2001-12-01
Deciphering the complex strategies by which organisms produce nanocrystalline materials with exquisite morphologies is central to understanding biomineralizing systems. One control on the morphology of biogenic nanoparticles is the specific interactions of their surfaces with the organic functional groups provided by the organism and the various inorganic species present in the ambient environment. It is now possible to directly probe the microscopic structural controls on crystal morphology by making quantitative measurements of the dynamic processes occurring at the mineral-water interface. These observations can provide crucial information concerning the actual mechanisms of growth that is otherwise unobtainable through macroscopic techniques. Here we use in situ molecular-scale observations of step dynamics and growth hillock morphology to directly resolve roles of principal impurities in regulating calcite surface morphologies. We show that the interactions of certain inorganic as well as organic impurities with the calcite surface are dependent upon the molecular-scale structures of step-edges. These interactions can assume a primary role in directing crystal morphology. In calcite growth experiments containing magnesium, we show that growth hillock structures become modified owing to the preferential inhibition of step motion along directions approximately parallel to the [010]. Compositional analyses have shown that Mg incorporates at different levels into the two types of nonequivalent steps, which meet at the hillock corner parallel to [010]. A simple calculation of the strain caused by this difference indicates that we should expect a significant retardation at this corner, in agreement with the observed development of [010] steps. If the low-energy step-risers produced by these [010] steps is perpendicular to the c-axis as seems likely from crystallographic considerations, this effect provides a plausible mechanism for the elongated calcite crystal habits found in natural environments that contain magnesium. In a separate study, step-specific interactions are also found between chiral aspartate molecules and the calcite surface. The L and D- aspartate enantiomers exhibit structure preferences for the different types of step-risers on the calcite surface. These site-specific interactions result in the transfer of asymmetry from the organic molecule to the crystal surface through the formation of chiral growth hillocks and surface morphologies. These studies yield direct experimental insight into the molecular-scale structural controls on nanocrystal morphology in biomineralizing systems.
Functional age as an indicator of reservoir senescence
Miranda, Leandro E.; Krogman, R. M.
2015-01-01
It has been conjectured that reservoirs differ in the rate at which they manifest senescence, but no attempt has been made to find an indicator of senescence that performs better than chronological age. We assembled an indicator of functional age by creating a multimetric scale consisting of 10 metrics descriptive of reservoir environments that were expected to change directionally with reservoir senescence. In a sample of 1,022 U.S. reservoirs, chronological age was not correlated with functional age. Functional age was directly related to percentage of cultivated land in the catchment and inversely related to reservoir depth. Moreover, aspects of reservoir fishing quality and fish population characteristics were related to functional age. A multimetric scale to indicate reservoir functional age presents the possibility for management intervention from multiple angles. If a reservoir is functionally aging at an accelerated rate, action may be taken to remedy the conditions contributing most to functional age. Intervention to reduce scores of selected metrics in the scale can potentially reduce the rate of senescence and increase the life expectancy of the reservoir. This leads to the intriguing implication that steps can be taken to reduce functional age and actually make the reservoir grow younger.
Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites
Wu, Xiaoxi; Tan, Liang Z.; Shen, Xiaozhe; ...
2017-07-26
Femtosecond resolution electron scattering techniques are applied to resolve the first atomic-scale steps following absorption of a photon in the prototypical hybrid perovskite methylammonium lead iodide. Following above-gap photoexcitation, we directly resolve the transfer of energy from hot carriers to the lattice by recording changes in the mean square atomic displacements on 10-ps time scales. Measurements of the time-dependent pair distribution function show an unexpected broadening of the iodine-iodine correlation function while preserving the Pb-I distance. This indicates the formation of a rotationally disordered halide octahedral structure developing on picosecond time scales. Here, this work shows the important role ofmore » light-induced structural deformations within the inorganic sublattice in elucidating the unique optoelectronic functionality exhibited by hybrid perovskites and provides new understanding of hot carrier-lattice interactions, which fundamentally determine solar cell efficiencies.« less
Vallejo-Medina, Pablo; Pérez-Durán, Claudia; Saavedra-Roa, Alejandro
2018-04-01
The Female Sexual Function Index (FSFI) subjectively explores the dimensions of female sexual functioning. This research undertook to adapt and validate the FSFI to Spanish language in a Colombian sample. To this effect, this study was conducted in two steps, namely: (1) cultural adaptation of the scale with the collaboration of seven experts; and (2) preliminary validation of the scale in a sample of 925 participants. Reliability indices were appropriate in this sample, and external validity in relation to other measures showed significant relationships. Findings suggest that the FSFI is reliable and valid in Spanish for a Colombian population. Further research is needed to establish the test-retest reliability and discriminant validity of this Spanish version.
Computer Modeling of the Earliest Cellular Structures and Functions
NASA Technical Reports Server (NTRS)
Pohorille, Andrew; Chipot, Christophe; Schweighofer, Karl
2000-01-01
In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells). the most direct way to test our understanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform proto-cellular functions. Many of these functions, such as import of nutrients, capture and storage of energy. and response to changes in the environment are carried out by proteins bound to membrane< We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (eg. channels), and (c) by what mechanisms such aggregates perform essential proto-cellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each item in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10(exp 6)-10(exp 8) time steps.
Earth As An Unstructured Mesh and Its Recovery from Seismic Waveform Data
NASA Astrophysics Data System (ADS)
De Hoop, M. V.
2015-12-01
We consider multi-scale representations of Earth's interior from thepoint of view of their possible recovery from multi- andhigh-frequency seismic waveform data. These representations areintrinsically connected to (geologic, tectonic) structures, that is,geometric parametrizations of Earth's interior. Indeed, we address theconstruction and recovery of such parametrizations using localiterative methods with appropriately designed data misfits andguaranteed convergence. The geometric parametrizations containinterior boundaries (defining, for example, faults, salt bodies,tectonic blocks, slabs) which can, in principle, be obtained fromsuccessive segmentation. We make use of unstructured meshes. For the adaptation and recovery of an unstructured mesh we introducean energy functional which is derived from the Hausdorff distance. Viaan augmented Lagrangian method, we incorporate the mentioned datamisfit. The recovery is constrained by shape optimization of theinterior boundaries, and is reminiscent of Hausdorff warping. We useelastic deformation via finite elements as a regularization whilefollowing a two-step procedure. The first step is an update determinedby the energy functional; in the second step, we modify the outcome ofthe first step where necessary to ensure that the new mesh isregular. This modification entails an array of techniques includingtopology correction involving interior boundary contacting andbreakup, edge warping and edge removal. We implement this as afeed-back mechanism from volume to interior boundary meshesoptimization. We invoke and apply a criterion of mesh quality controlfor coarsening, and for dynamical local multi-scale refinement. Wepresent a novel (fluid-solid) numerical framework based on theDiscontinuous Galerkin method.
Small-scale seismic inversion using surface waves extracted from noise cross correlation.
Gouédard, Pierre; Roux, Philippe; Campillo, Michel
2008-03-01
Green's functions can be retrieved between receivers from the correlation of ambient seismic noise or with an appropriate set of randomly distributed sources. This principle is demonstrated in small-scale geophysics using noise sources generated by human steps during a 10-min walk in the alignment of a 14-m-long accelerometer line array. The time-domain correlation of the records yields two surface wave modes extracted from the Green's function between each pair of accelerometers. A frequency-wave-number Fourier analysis yields each mode contribution and their dispersion curve. These dispersion curves are then inverted to provide the one-dimensional shear velocity of the near surface.
Linear-scaling generation of potential energy surfaces using a double incremental expansion
DOE Office of Scientific and Technical Information (OSTI.GOV)
König, Carolin, E-mail: carolink@kth.se; Christiansen, Ove, E-mail: ove@chem.au.dk
We present a combination of the incremental expansion of potential energy surfaces (PESs), known as n-mode expansion, with the incremental evaluation of the electronic energy in a many-body approach. The application of semi-local coordinates in this context allows the generation of PESs in a very cost-efficient way. For this, we employ the recently introduced flexible adaptation of local coordinates of nuclei (FALCON) coordinates. By introducing an additional transformation step, concerning only a fraction of the vibrational degrees of freedom, we can achieve linear scaling of the accumulated cost of the single point calculations required in the PES generation. Numerical examplesmore » of these double incremental approaches for oligo-phenyl examples show fast convergence with respect to the maximum number of simultaneously treated fragments and only a modest error introduced by the additional transformation step. The approach, presented here, represents a major step towards the applicability of vibrational wave function methods to sizable, covalently bound systems.« less
NASA Astrophysics Data System (ADS)
Coutu, S.; Rota, C.; Rossi, L.; Barry, D. A.
2011-12-01
Facades are protected by paints that contain biocides as protection against degradation. These biocides are leached by rainfall (albeit at low concentrations). At the city scale, however, the surface area of building facades is significant, and leached biocides are a potential environmental risk to receiving waters. A city-scale biocide-leaching model was developed based on two main steps. In the first step, laboratory experiments on a single facade were used to calibrate and validate a 1D, two-region phenomenological model of biocide leaching. The same data set was analyzed independently by another research group who found empirically that biocide leachate breakthrough curves were well represented by a sum of two exponentials. Interestingly, the two-region model was found analytically to reproduce this functional form as a special case. The second step in the method is site-specific, and involves upscaling the validated single facade model to a particular city. In this step, (i) GIS-based estimates of facade heights and areas are deduced using the city's cadastral data, (ii) facade flow is estimated using local meteorological data (rainfall, wind direction) and (iii) paint application rates are modeled as a stochastic process based on manufacturers' recommendations. The methodology was applied to Lausanne, Switzerland, a city of about 200,000 inhabitants. Approximately 30% of the annually applied mass of biocides was estimated to be released to the environment.
Puttini, Stefania; Ouvrard-Pascaud, Antoine; Palais, Gael; Beggah, Ahmed T; Gascard, Philippe; Cohen-Tannoudji, Michel; Babinet, Charles; Blot-Chabaud, Marcel; Jaisser, Frederic
2005-03-16
Functional genomic analysis is a challenging step in the so-called post-genomic field. Identification of potential targets using large-scale gene expression analysis requires functional validation to identify those that are physiologically relevant. Genetically modified cell models are often used for this purpose allowing up- or down-expression of selected targets in a well-defined and if possible highly differentiated cell type. However, the generation of such models remains time-consuming and expensive. In order to alleviate this step, we developed a strategy aimed at the rapid and efficient generation of genetically modified cell lines with conditional, inducible expression of various target genes. Efficient knock-in of various constructs, called targeted transgenesis, in a locus selected for its permissibility to the tet inducible system, was obtained through the stimulation of site-specific homologous recombination by the meganuclease I-SceI. Our results demonstrate that targeted transgenesis in a reference inducible locus greatly facilitated the functional analysis of the selected recombinant cells. The efficient screening strategy we have designed makes possible automation of the transfection and selection steps. Furthermore, this strategy could be applied to a variety of highly differentiated cells.
Rasch Analysis of the Malaysian Secondary School Student Leadership Inventory (M3SLI).
Ling, Mei-Teng
The importance of instilling leadership skills in students has always been a main subject of discussion in Malaysia. Malaysian Secondary School Students Leadership Inventory (M3SLI) is an instrument which has been piloted tested in year 2013. The main purpose of this study is to examine and optimize the functioning of the rating scale categories in M3SLI by investigating the rating scale category counts, average and expected rating scale category measures, and steps calibrations. In detail, the study was aimed to (1) identify whether the five-point rating scale was functioning as intended and (2) review the effect of a rating scale category revision on the psychometric characteristics of M3SLI. The study was carried out on students aged between 13 to 18 years (2183 students) by stratified random sampling in 26 public schools in Sabah, Malaysia, with the results analysed using Winsteps. This study found that the rating scale of Personality and Values constructs needed to be modified while the scale for Leadership Skills was maintained. For future studies, other aspects of psychometric properties like differential item functioning (DIF) based on demographic variables such as gender, school locations and forms should be researched on prior to the use of the instrument.
Zhang, Panpan; Huang, Ying; Lu, Xin; Zhang, Siyu; Li, Jingfeng; Wei, Gang; Su, Zhiqiang
2014-07-29
We demonstrated a facile one-step synthesis strategy for the preparation of a large-scale reduced graphene oxide multilayered film doped with gold nanoparticles (RGO/AuNP film) and applied this film as functional nanomaterials for electrochemistry and Raman detection applications. The related applications of the fabricated RGO/AuNP film in electrochemical nonenzymatic H2O2 biosensor, electrochemical oxygen reduction reaction (ORR), and surface-enhanced Raman scattering (SERS) detection were investigated. Electrochemical data indicate that the H2O2 biosensor fabricated by RGO/AuNP film shows a wide linear range, low limitation of detection, high selectivity, and long-term stability. In addition, it was proved that the created RGO/AuNP film also exhibits excellent ORR electrochemical catalysis performance. The created RGO/AuNP film, when serving as SERS biodetection platform, presents outstanding performances in detecting 4-aminothiophenol with an enhancement factor of approximately 5.6 × 10(5) as well as 2-thiouracil sensing with a low concentration to 1 μM. It is expected that this facile strategy for fabricating large-scale graphene film doped with metallic nanoparticles will spark inspirations in preparing functional nanomaterials and further extend their applications in drug delivery, wastewater purification, and bioenergy.
Multiscale modeling of porous ceramics using movable cellular automaton method
NASA Astrophysics Data System (ADS)
Smolin, Alexey Yu.; Smolin, Igor Yu.; Smolina, Irina Yu.
2017-10-01
The paper presents a multiscale model for porous ceramics based on movable cellular automaton method, which is a particle method in novel computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the unique position in space. As a result, we get the average values of Young's modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behavior at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via effective properties determined earliar. If the pore size distribution function of the material has N maxima we need to perform computations for N-1 levels in order to get the properties step by step from the lowest scale up to the macroscale. The proposed approach was applied to modeling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behavior of the model sample at the macroscale.
Real-time powder diffraction studies of energy materials under non-equilibrium conditions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Peterson, Vanessa K.; Auckett, Josie E.; Pang, Wei-Kong
Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage ofmore » energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function.« less
Real-time powder diffraction studies of energy materials under non-equilibrium conditions
Peterson, Vanessa K.; Auckett, Josie E.; Pang, Wei-Kong
2017-01-01
Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage of energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function. PMID:28989711
An automated multi-scale network-based scheme for detection and location of seismic sources
NASA Astrophysics Data System (ADS)
Poiata, N.; Aden-Antoniow, F.; Satriano, C.; Bernard, P.; Vilotte, J. P.; Obara, K.
2017-12-01
We present a recently developed method - BackTrackBB (Poiata et al. 2016) - allowing to image energy radiation from different seismic sources (e.g., earthquakes, LFEs, tremors) in different tectonic environments using continuous seismic records. The method exploits multi-scale frequency-selective coherence in the wave field, recorded by regional seismic networks or local arrays. The detection and location scheme is based on space-time reconstruction of the seismic sources through an imaging function built from the sum of station-pair time-delay likelihood functions, projected onto theoretical 3D time-delay grids. This imaging function is interpreted as the location likelihood of the seismic source. A signal pre-processing step constructs a multi-band statistical representation of the non stationary signal, i.e. time series, by means of higher-order statistics or energy envelope characteristic functions. Such signal-processing is designed to detect in time signal transients - of different scales and a priori unknown predominant frequency - potentially associated with a variety of sources (e.g., earthquakes, LFE, tremors), and to improve the performance and the robustness of the detection-and-location location step. The initial detection-location, based on a single phase analysis with the P- or S-phase only, can then be improved recursively in a station selection scheme. This scheme - exploiting the 3-component records - makes use of P- and S-phase characteristic functions, extracted after a polarization analysis of the event waveforms, and combines the single phase imaging functions with the S-P differential imaging functions. The performance of the method is demonstrated here in different tectonic environments: (1) analysis of the one year long precursory phase of 2014 Iquique earthquake in Chile; (2) detection and location of tectonic tremor sources and low-frequency earthquakes during the multiple episodes of tectonic tremor activity in southwestern Japan.
The Student Risk Screening Scale: Exploring Dimensionality and Differential Item Functioning
ERIC Educational Resources Information Center
Schatschneider, Christopher; Lane, Kathleen Lynne; Oakes, Wendy Peia; Kalberg, Jemma Robertson
2014-01-01
Screening of students at risk for antisocial behaviors in school is an essential step in the implementation of evidence-based supports for academic, behavioral, and social domains at the first sign of concern. This study examined the measurement properties of a free-access systematic behavior screening tool: the Student Risk Screening Scale…
Classes in the Balance: Latent Class Analysis and the Balance Scale Task
ERIC Educational Resources Information Center
Boom, Jan; ter Laak, Jan
2007-01-01
Latent class analysis (LCA) has been successfully applied to tasks measuring higher cognitive functioning, suggesting the existence of distinct strategies used in such tasks. With LCA it became possible to classify post hoc. This important step forward in modeling and analyzing cognitive strategies is relevant to the overlapping waves model for…
Grabiner, Mark D; Marone, Jane R; Wyatt, Marilynn; Sessoms, Pinata; Kaufman, Kenton R
2018-06-01
The fractal scaling evident in the step-to-step fluctuations of stepping-related time series reflects, to some degree, neuromotor noise. The primary purpose of this study was to determine the extent to which the fractal scaling of step width, step width and step width variability are affected by performance of an attention-demanding task. We hypothesized that the attention-demanding task would shift the structure of the step width time series toward white, uncorrelated noise. Subjects performed two 10-min treadmill walking trials, a control trial of undisturbed walking and a trial during which they performed a mental arithmetic/texting task. Motion capture data was converted to step width time series, the fractal scaling of which were determined from their power spectra. Fractal scaling decreased by 22% during the texting condition (p < 0.001) supporting the hypothesized shift toward white uncorrelated noise. Step width and step width variability increased 19% and five percent, respectively (p < 0.001). However, a stepwise discriminant analysis to which all three variables were input revealed that the control and dual task conditions were discriminated only by step width fractal scaling. The change of the fractal scaling of step width is consistent with increased cognitive demand and suggests a transition in the characteristics of the signal noise. This may reflect an important advance toward the understanding of the manner in which neuromotor noise contributes to some types of falls. However, further investigation of the repeatability of the results, the sensitivity of the results to progressive increases in cognitive load imposed by attention-demanding tasks, and the extent to which the results can be generalized to the gait of older adults seems warranted. Copyright © 2018 Elsevier B.V. All rights reserved.
Moricoli, Diego; Muller, William A.; Carbonella, Damiano Cosimo; Balducci, Maria Cristina; Dominici, Sabrina; Fiori, Valentina; Watson, Richard; Weber, Evan; Cianfriglia, Maurizio; Scotlandi, Katia; Magnani, Mauro
2015-01-01
Migration of leukocytes into a site of inflammation involves several steps mediated by various families of adhesion molecules. CD99 play a significant role in transendothelial migration (TEM) of leukocytes. Inhibition of TEM by specific monoclonal antibody (mAb) can provide a potent therapeutic approach to treating inflammatory conditions. However, the therapeutic utilization of whole IgG can lead to an inappropriate activation of Fc receptor-expressing cells inducing serious adverse side effects due to cytokine release. In this regard, specific recombinant antibody in single chain variable fragments (scFvs) originated by phage library may offer a solution by affecting TEM function in a safe clinical context. However, this consideration requires large scale production of functional scFv antibodies under GMP conditions and hence, the absence of toxic reagents utilized for the solubilization and refolding steps of inclusion bodies that may discourage industrial application of these antibody fragments. In order to apply the scFv anti-CD99 named C7A in a clinical setting we herein describe an efficient and large scale production of the antibody fragments expressed in E.coli as insoluble protein avoiding gel filtration chromatography approach, and laborious refolding step pre- and post-purification. Using differential salt elution which is a simple, reproducible and effective procedure we are able to separate scFv in monomer format from aggregates. The purified scFv antibody C7A exhibits inhibitory activity comparable to an antagonistic conventional mAb, thus providing an excellent agent for blocking CD99 signalling. Thanks to the original purification protocol that can be extended to other scFvs that are expressed as inclusion bodies in bacterial systems, the scFv anti-CD99 C7A herein described represents the first step towards the construction of new antibody therapeutic. PMID:24798881
Daily, Michael D; Yu, Haibo; Phillips, George N; Cui, Qiang
2013-01-01
The chemical step in enzymes is usually preceded by a kinetically distinct activation step that involves large-scale conformational transitions. In "simple" enzymes this step corresponds to the closure of the active site; in more complex enzymes, such as biomolecular motors, the activation step is more complex and may involve interactions with other biomolecules. These activation transitions are essential to the function of enzymes and perturbations in the scale and/or rate of these transitions are implicated in various serious human diseases; incorporating key flexibilities into engineered enzymes is also considered a major remaining challenge in rational enzyme design. Therefore it is important to understand the underlying mechanism of these transitions. This is a significant challenge to both experimental and computational studies because of the allosteric and multi-scale nature of such transitions. Using our recent studies of two enzyme systems, myosin and adenylate kinase (AK), we discuss how atomistic and coarse-grained simulations can be used to provide insights into the mechanism of activation transitions in realistic systems. Collectively, the results suggest that although many allosteric transitions can be viewed as domain displacements mediated by flexible hinges, there are additional complexities and various deviations. For example, although our studies do not find any evidence for "cracking" in AK, our results do underline the contribution of intra-domain properties (e.g., dihedral flexibility) to the rate of the transition. The study of mechanochemical coupling in myosin highlights that local changes important to chemistry require stabilization from more extensive structural changes; in this sense, more global structural transitions are needed to activate the chemistry in the active site. These discussions further emphasize the importance of better understanding factors that control the degree of co-operativity for allosteric transitions, again hinting at the intimate connection between protein stability and functional flexibility. Finally, a number of topics of considerable future interest are briefly discussed.
NASA Astrophysics Data System (ADS)
Donkov, Sava; Stefanov, Ivan Z.
2018-03-01
We have set ourselves the task of obtaining the probability distribution function of the mass density of a self-gravitating isothermal compressible turbulent fluid from its physics. We have done this in the context of a new notion: the molecular clouds ensemble. We have applied a new approach that takes into account the fractal nature of the fluid. Using the medium equations, under the assumption of steady state, we show that the total energy per unit mass is an invariant with respect to the fractal scales. As a next step we obtain a non-linear integral equation for the dimensionless scale Q which is the third root of the integral of the probability distribution function. It is solved approximately up to the leading-order term in the series expansion. We obtain two solutions. They are power-law distributions with different slopes: the first one is -1.5 at low densities, corresponding to an equilibrium between all energies at a given scale, and the second one is -2 at high densities, corresponding to a free fall at small scales.
Feng, Xiaoyan; Deng, Chunhui; Gao, Mingxia; Zhang, Xiangmin
2018-01-01
Protein glycosylation is one of the most important post-translational modifications. Also, efficient enrichment and separation of glycopeptides from complex samples are crucial for the thorough analysis of glycosylation. Developing novel hydrophilic materials with facile and easily popularized synthesis is an urgent need in large-scale glycoproteomics research. Herein, for the first time, a one-step functionalization strategy based on metal-organic coordination was proposed and Fe 3 O 4 nanoparticles were directly functionalized with zwitterionic hydrophilic L-cysteine (L-Cys), greatly simplifying the synthetic procedure. The easily synthesized Fe 3 O 4 /L-Cys possessed excellent hydrophilicity and brief composition, contributing to affinity for glycopeptides and reduction in nonspecific interaction. Thus, Fe 3 O 4 /L-Cys nanoparticles showed outstanding sensitivity (25 amol/μL), high selectivity (mixture of bovine serum albumin and horseradish peroxidase tryptic digests at a mass ratio of 100:1), good reusability (five repeated times), and stability (room temperature storage of 1 month). Encouragingly, in the glycosylation analysis of human serum, a total of 376 glycopeptides with 393 N-glycosylation sites corresponding to 118 glycoproteins were identified after enrichment with Fe 3 O 4 /L-Cys, which was superior to ever reported L-Cys modified magnetic materials. Furthermore, applying the one-step functionalization strategy, cysteamine and glutathione respectively direct-functionalized Fe 3 O 4 nanoparticles were successfully synthesized and also achieved efficient glycopeptide enrichment in human serum. The results indicated that we have presented an efficient and easily popularized strategy in glycoproteomics as well as in the synthesis of novel materials. Graphical abstract Fe 3 O 4 /L-Cys nanoparticles based on one-step functionalization for highly efficient enrichment of glycopeptides.
Goetz, Christopher G; Liu, Yuanyuan; Stebbins, Glenn T; Wang, Lu; Tilley, Barbara C; Teresi, Jeanne A; Merkitch, Douglas; Luo, Sheng
2016-12-01
Assess MDS-UPDRS items for gender-, age-, and race/ethnicity-based differential item functioning. Assessing differential item functioning is a core rating scale validation step. For the MDS-UPDRS, differential item functioning occurs if item-score probability among people with similar levels of parkinsonism differ according to selected covariates (gender, age, race/ethnicity). If the magnitude of differential item functioning is clinically relevant, item-score interpretation must consider influences by these covariates. Differential item functioning can be nonuniform (covariate variably influences an item-score across different levels of parkinsonism) or uniform (covariate influences an item-score consistently over all levels of parkinsonism). Using the MDS-UPDRS translation database of more than 5,000 PD patients from 14 languages, we tested gender-, age-, and race/ethnicity-based differential item functioning. To designate an item as having clinically relevant differential item functioning, we required statistical confirmation by 2 independent methods, along with a McFadden pseudo-R 2 magnitude statistic greater than "negligible." Most items showed no gender-, age- or race/ethnicity-based differential item functioning. When differential item functioning was identified, the magnitude statistic was always in the "negligible" range, and the scale-level impact was minimal. The absence of clinically relevant differential item functioning across all items and all parts of the MDS-UPDRS is strong evidence that the scale can be used confidently. As studies of Parkinson's disease increasingly involve multinational efforts and the MDS-UPDRS has several validated non-English translations, the findings support the scale's broad applicability in populations with varying gender, age, and race/ethnicity distributions. © 2016 International Parkinson and Movement Disorder Society. © 2016 International Parkinson and Movement Disorder Society.
Development of a new instrument for determining the level of chewing function in children.
Serel Arslan, S; Demir, N; Barak Dolgun, A; Karaduman, A A
2016-07-01
This study aimed to develop a chewing performance scale that classifies chewing from normal to severely impaired and to investigate its validity and reliability. The study included the developmental phase and reported the content, structural, criterion validity, interobserver and intra-observer reliability of the chewing performance scale, which was called the Karaduman Chewing Performance Scale (KCPS). A dysphagia literature review, other questionnaires and clinical experiences were used in the developmental phase. Seven experts assessed the steps for content validity over two Delphi rounds. To test structural, criterion validity, interobserver and intra-observer reliability, two swallowing therapists evaluated chewing videos of 144 children (Group I: 61 healthy children without chewing disorders, mean age of 42·38 ± 9·36 months; Group II: 83 children with cerebral palsy who have chewing disorders, mean age of 39·09 ± 22·95 months) using KCPS. The Behavioral Pediatrics Feeding Assessment Scale (BPFAS) was used for criterion validity. The KCPS steps arranged between 0-4 were found to be necessary. The content validity index was 0·885. The KCPS levels were found to be different between groups I and II (χ(2) = 123·286, P < 0·001). A moderately strong positive correlation was found between the KCPS and the subscales of the BPFAS (r = 0·444-0·773, P < 0·001). An excellent positive correlation was detected between two swallowing therapists and between two examinations of one swallowing therapist (r = 0·962, P < 0·001; r = 0·990, P < 0·001, respectively). The KCPS is a valid, reliable, quick and clinically easy-to-use functional instrument for determining the level of chewing function in children. © 2016 John Wiley & Sons Ltd.
Multiscale Simulation of Porous Ceramics Based on Movable Cellular Automaton Method
NASA Astrophysics Data System (ADS)
Smolin, A.; Smolin, I.; Eremina, G.; Smolina, I.
2017-10-01
The paper presents a model for simulating mechanical behaviour of multiscale porous ceramics based on movable cellular automaton method, which is a novel particle method in computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the random unique position in space. As a result, we get the average values of Young’s modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behaviour at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via the effective properties determined at the previous scale level. If the pore size distribution function of the material has N maxima we need to perform computations for N - 1 levels in order to get the properties from the lowest scale up to the macroscale step by step. The proposed approach was applied to modelling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behaviour of the model sample at the macroscale.
Artificial dissipation and central difference schemes for the Euler and Navier-Stokes equations
NASA Technical Reports Server (NTRS)
Swanson, R. C.; Turkel, Eli
1987-01-01
An artificial dissipation model, including boundary treatment, that is employed in many central difference schemes for solving the Euler and Navier-Stokes equations is discussed. Modifications of this model such as the eigenvalue scaling suggested by upwind differencing are examined. Multistage time stepping schemes with and without a multigrid method are used to investigate the effects of changes in the dissipation model on accuracy and convergence. Improved accuracy for inviscid and viscous airfoil flow is obtained with the modified eigenvalue scaling. Slower convergence rates are experienced with the multigrid method using such scaling. The rate of convergence is improved by applying a dissipation scaling function that depends on mesh cell aspect ratio.
Mazzoleni, S; Battini, E; Rustici, A; Stampacchia, G
2017-07-01
The aim of this study is to investigate the effects of an integrated gait rehabilitation training based on Functional Electrical Stimulation (FES)-cycling and overground robotic exoskeleton in a group of seven complete spinal cord injury patients on spasticity and patient-robot interaction. They underwent a robot-assisted rehabilitation training based on two phases: n=20 sessions of FES-cycling followed by n= 20 sessions of robot-assisted gait training based on an overground robotic exoskeleton. The following clinical outcome measures were used: Modified Ashworth Scale (MAS), Numerical Rating Scale (NRS) on spasticity, Penn Spasm Frequency Scale (PSFS), Spinal Cord Independence Measure Scale (SCIM), NRS on pain and International Spinal Cord Injury Pain Data Set (ISCI). Clinical outcome measures were assessed before (T0) after (T1) the FES-cycling training and after (T2) the powered overground gait training. The ability to walk when using exoskeleton was assessed by means of 10 Meter Walk Test (10MWT), 6 Minute Walk Test (6MWT), Timed Up and Go test (TUG), standing time, walking time and number of steps. Statistically significant changes were found on the MAS score, NRS-spasticity, 6MWT, TUG, standing time and number of steps. The preliminary results of this study show that an integrated gait rehabilitation training based on FES-cycling and overground robotic exoskeleton in complete SCI patients can provide a significant reduction of spasticity and improvements in terms of patient-robot interaction.
NASA Astrophysics Data System (ADS)
Corwin, Ivan; Dimitrov, Evgeni
2018-05-01
We consider the ASEP and the stochastic six vertex model started with step initial data. After a long time, T, it is known that the one-point height function fluctuations for these systems are of order T 1/3. We prove the KPZ prediction of T 2/3 scaling in space. Namely, we prove tightness (and Brownian absolute continuity of all subsequential limits) as T goes to infinity of the height function with spatial coordinate scaled by T 2/3 and fluctuations scaled by T 1/3. The starting point for proving these results is a connection discovered recently by Borodin-Bufetov-Wheeler between the stochastic six vertex height function and the Hall-Littlewood process (a certain measure on plane partitions). Interpreting this process as a line ensemble with a Gibbsian resampling invariance, we show that the one-point tightness of the top curve can be propagated to the tightness of the entire curve.
Selection of Yeasts as Starter Cultures for Table Olives: A Step-by-Step Procedure
Bevilacqua, Antonio; Corbo, Maria Rosaria; Sinigaglia, Milena
2012-01-01
The selection of yeasts intended as starters for table olives is a complex process, including a characterization step at laboratory level and a validation at lab level and factory-scale. The characterization at lab level deals with the assessment of some technological traits (growth under different temperatures and at alkaline pHs, effect of salt, and for probiotic strains the resistance to preservatives), enzymatic activities, and some new functional properties (probiotic traits, production of vitamin B-complex, biological debittering). The paper reports on these traits, focusing both on their theoretical implications and lab protocols; moreover, there are some details on predictive microbiology for yeasts of table olives and on the use of multivariate approaches to select suitable starters. PMID:22666220
Applications of step-selection functions in ecology and conservation.
Thurfjell, Henrik; Ciuti, Simone; Boyce, Mark S
2014-01-01
Recent progress in positioning technology facilitates the collection of massive amounts of sequential spatial data on animals. This has led to new opportunities and challenges when investigating animal movement behaviour and habitat selection. Tools like Step Selection Functions (SSFs) are relatively new powerful models for studying resource selection by animals moving through the landscape. SSFs compare environmental attributes of observed steps (the linear segment between two consecutive observations of position) with alternative random steps taken from the same starting point. SSFs have been used to study habitat selection, human-wildlife interactions, movement corridors, and dispersal behaviours in animals. SSFs also have the potential to depict resource selection at multiple spatial and temporal scales. There are several aspects of SSFs where consensus has not yet been reached such as how to analyse the data, when to consider habitat covariates along linear paths between observations rather than at their endpoints, how many random steps should be considered to measure availability, and how to account for individual variation. In this review we aim to address all these issues, as well as to highlight weak features of this modelling approach that should be developed by further research. Finally, we suggest that SSFs could be integrated with state-space models to classify behavioural states when estimating SSFs.
Prisciandaro, James J; Tolliver, Bryan K
2016-11-15
The Young Mania Rating Scale (YMRS) and Montgomery-Asberg Depression Rating Scale (MADRS) are among the most widely used outcome measures for clinical trials of medications for Bipolar Disorder (BD). Nonetheless, very few studies have examined the measurement characteristics of the YMRS and MADRS in individuals with BD using modern psychometric methods. The present study evaluated the YMRS and MADRS in the Systematic Treatment Enhancement Program for BD (STEP-BD) study using Item Response Theory (IRT). Baseline data from 3716 STEP-BD participants were available for the present analysis. The Graded Response Model (GRM) was fit separately to YMRS and MADRS item responses. Differential item functioning (DIF) was examined by regressing a variety of clinically relevant covariates (e.g., sex, substance dependence) on all test items and on the latent symptom severity dimension, within each scale. Both scales: 1) contained several items that provided little or no psychometric information, 2) were inefficient, in that the majority of item response categories did not provide incremental psychometric information, 3) poorly measured participants outside of a narrow band of severity, 4) evidenced DIF for nearly all items, suggesting that item responses were, in part, determined by factors other than symptom severity. Limited to outpatients; DIF analysis only sensitive to certain forms of DIF. The present study provides evidence for significant measurement problems involving the YMRS and MADRS. More work is needed to refine these measures and/or develop suitable alternative measures of BD symptomatology for clinical trials research. Copyright © 2016 Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Cuzzi, Jeffrey N.; Weston, B.; Shariff, K.
2013-10-01
Primitive bodies with 10s-100s of km diameter (or even larger) may form directly from small nebula constituents, bypassing the step-by-step “incremental growth” that faces a variety of barriers at cm, m, and even 1-10km sizes. In the scenario of Cuzzi et al (Icarus 2010 and LPSC 2012; see also Chambers Icarus 2010) the immediate precursors of 10-100km diameter asteroid formation are dense clumps of chondrule-(mm-) size objects. These predictions utilize a so-called cascade model, which is popular in turbulence studies. One of its usual assumptions is that certain statistical properties of the process (the so-called multiplier pdfs p(m)) are scale-independent within a cascade of energy from large eddy scales to smaller scales. In similar analyses, Pan et al (2011 ApJ) found discrepancies with results of Cuzzi and coworkers; one possibility was that p(m) for particle concentration is not scale-independent. To assess the situation we have analyzed recent 3D direct numerical simulations of particles in turbulence covering a much wider range of scales than analyzed by either Cuzzi and coworkers or by Pan and coworkers (see Bec et al 2010, J. Flu. Mech 646, 527). We calculated p(m) at scales ranging from 45-1024η where η is the Kolmogorov scale, for both particles with a range of stopping times spanning the optimum value, and for energy dissipation in the fluid. For comparison, the p(m) for dissipation have been observed to be scale-independent in atmospheric flows (at much larger Reynolds number) for scales of at least 30-3000η. We found that, in the numerical simulations, the multiplier distributions for both particle concentration and fluid dissipation are as expected at scales of tens of η, but both become narrower and less intermittent at larger scales. This is consistent with observations of atmospheric flows showing scale independence to >3000η if scale-free behavior is established only after some number 10 of large-scale bifurcations (at scales perhaps 10x smaller than the largest scales in the flow), but become scale-free at smaller scales. Predictions of primitive body initial mass functions can now be redone using a slightly modified cascade.
Moricoli, Diego; Muller, William Anthony; Carbonella, Damiano Cosimo; Balducci, Maria Cristina; Dominici, Sabrina; Watson, Richard; Fiori, Valentina; Weber, Evan; Cianfriglia, Maurizio; Scotlandi, Katia; Magnani, Mauro
2014-06-01
Migration of leukocytes into site of inflammation involves several steps mediated by various families of adhesion molecules. CD99 play a significant role in transendothelial migration (TEM) of leukocytes. Inhibition of TEM by specific monoclonal antibody (mAb) can provide a potent therapeutic approach to treating inflammatory conditions. However, the therapeutic utilization of whole IgG can lead to an inappropriate activation of Fc receptor-expressing cells, inducing serious adverse side effects due to cytokine release. In this regard, specific recombinant antibody in single chain variable fragments (scFvs) originated by phage library may offer a solution by affecting TEM function in a safe clinical context. However, this consideration requires large scale production of functional scFv antibodies and the absence of toxic reagents utilized for solubilization and refolding step of inclusion bodies that may discourage industrial application of these antibody fragments. In order to apply the scFv anti-CD99 named C7A in a clinical setting, we herein describe an efficient and large scale production of the antibody fragments expressed in E. coli as periplasmic insoluble protein avoiding gel filtration chromatography approach, and laborious refolding step pre- and post-purification. Using differential salt elution which is a simple, reproducible and effective procedure we are able to separate scFv in monomer format from aggregates. The purified scFv antibody C7A exhibits inhibitory activity comparable to an antagonistic conventional mAb, thus providing an excellent agent for blocking CD99 signaling. This protocol can be useful for the successful purification of other monomeric scFvs which are expressed as periplasmic inclusion bodies in bacterial systems. Copyright © 2014 Elsevier B.V. All rights reserved.
Cho, Be-long; Scarpace, Diane; Alexander, Neil B
2004-07-01
To determine the relationships between two tests of stepping ability (the maximal step length (MSL) and rapid step test (RST)) and standard tests of standing balance, gait, mobility, and functional impairment in a group of at-risk older adults. Cross-sectional study. University-based laboratory. One hundred sixty-seven mildly balance-impaired older adults recruited for a balance-training and fall-reduction program (mean age 78, range 65-90). Measures of stepping maximally (MSL, the ability to maximally step out and return to the initial position) and rapidly (RST, the time taken to step out and return in multiple directions as fast as possible); standard measures of balance, gait, and mobility including timed tandem stance (TS), tandem walk (TW, both timing and errors), timed unipedal stance (US), timed up and go (TUG), performance oriented mobility assessment (POMA), and 6-minute walk (SMW); measures of leg strength (peak knee and ankle torque and power at slow and fast speeds); self-report measures of frequent falls (>2 per 12 months), disability (Established Population for Epidemiologic Studies of the Elderly (EPESE) physical function), and confidence to avoid falls (Activity-specific Balance Confidence (ABC) Scale). Spearman and Pearson correlation, intraclass correlation coefficient, logistic regression, and linear regression were used for data analysis. MSL consistently predicted a number of self-report and performance measures at least as well as other standard balance measures. MSL correlations with EPESE physical function, ABC, TUG, and POMA scores; SMW; and peak maximum knee and ankle torque and power were at least as high as those correlations seen with TS, TW, or US. MSL score was associated with the risk of being a frequent faller. In addition, the six MSL directions were highly correlated (up to 0.96), and any one of the leg directions yielded similar relationships with functional measures and a history of falls. Relationships between RST and these measures were relatively modest. MSL is as good a predictor of mobility performance, frequent falls, self-reported function, and balance confidence as standard stance tests such as US. MSL simplified to one direction may be a useful clinical indicator of mobility, balance, and fall risk in older adults.
Kelly, John F.; Pagano, Maria E.; Stout, Robert L.; Johnson, Shannon M.
2011-01-01
Objective: Religious practices among adults are associated with more 12-step participation which, in turn, is linked to better treatment outcomes. Despite recommendations for adolescents to participate in mutual-help groups, little is known about how religious practices influence youth 12-step engagement and outcomes. This study examined the relationships among lifetime religiosity, during-treatment 12-step participation, and outcomes among adolescents, and tested whether any observed beneficial relation between higher religiosity and outcome could be explained by increased 12-step participation. Method: Adolescents (n = 195; 52% female, ages 14–18) court-referred to a 2-month residential treatment were assessed at intake and discharge. Lifetime religiosity was assessed with the Religious Background and Behaviors Questionnaire; 12-step assessments measured meeting attendance, step work (General Alcoholics Anonymous Tools of Recovery), and Alcoholics Anonymous (AA)/Narcotics Anonymous (NA)-related helping. Substance-related outcomes and psychosocial outcomes were assessed with toxicology screens, the Adolescent–Obsessive Compulsive Drinking Scale, the Children's Global Assessment Scale, and the Narcissistic Personality Inventory. Results: Greater lifetime formal religious practices at intake were associated with increased step work and AA/NA-related helping during treatment, which in turn were linked to improved substance outcomes, global functioning, and reduced narcissistic entitlement. Increased step work mediated the effect of religious practices on increased abstinence, whereas AA/NA-related helping mediated the effect of religiosity on reduced craving and entitlement. Conclusions: Findings extend the evidence for the protective effects of lifetime religious behaviors to an improved treatment response among adolescents and provide preliminary support for the 12-step proposition that helping others in recovery may lead to better outcomes. Youth with low or no lifetime religious practices may assimilate less well into 12-step–oriented treatment and may need additional 12-step facilitation, or a different approach, to enhance treatment response. PMID:22051214
NASA Astrophysics Data System (ADS)
Bai, Xiaoyan; Chen, Chen; Li, Hong; Liu, Wandong; Chen, Wei
2017-10-01
Scaling relations of the main parameters of a needle-like electron beam plasma (EBP) to the initial beam energy, beam current, and discharge pressures are presented. The relations characterize the main features of the plasma in three parameter space and can provide great convenience in plasma design with electron beams. First, starting from the self-similar behavior of electron beam propagation, energy and charge depositions in beam propagation were expressed analytically as functions of the three parameters. Second, according to the complete coupled theoretical model of an EBP and appropriate assumptions, independent equations controlling the density and space charges were derived. Analytical expressions for the density and charges versus functions of energy and charge depositions were obtained. Finally, with the combination of the expressions derived in the above two steps, scaling relations of the density and potential to the three parameters were constructed. Meanwhile, numerical simulations were used to test part of the scaling relations.
Thomas, Kerry A; Rickwood, Debra J; Brown, Patricia M
2017-01-01
The aim of this study was to assess clients' and service providers' perspectives on changes in mental health after an admission to a residential recovery-focused, sub-acute service, in Australia. Clients were either step-up clients, entering the service directly from the community, or step-down clients who were transitioning from an inpatient unit to home. During the 30-month period of data collection (August 2011 to January 2014) all clients (N = 102) were invited to participate in the longitudinal study and 41 clients consented to be involved (38% response rate). At admission and exit, participants completed the Behaviour and Symptom Identification Scale (Basis-32) and service providers completed the Life Skills Profile-16 and Health of the Nations Outcome Scales. Follow-up data 3 months after exit were available for 12 clients, including the Basis-32 and a self-report measure of quality of life (Assessment of Quality of Life 8-dimension). Both client groups reported positive improvements between admission and exit in the areas of relation to self and others, psychosis, daily living and presence of depression or anxiety symptoms. Service providers reported gains for clients in the areas of self-care, level of symptoms and presence of social problems. At 3 months, clients generally reported positive quality of life, although there was no significant change in symptoms and functioning. This study demonstrates that after an admission to a sub-acute service, step-up clients experience an improvement in their symptoms and functioning, have avoided a hospital admission and are well enough to return home. Step-down clients also experience further improvements in their symptoms and functioning, indicating that the service has assisted them in their transition to independent living after a hospital admission. Sub-acute residential units provide a continuation of care for inpatients preparing to return home, and people with a mental health problem living in the community who experience an escalation in symptoms and prefer an alternative to hospital. © 2015 John Wiley & Sons Ltd.
Scaling functional status within the interRAI suite of assessment instruments
2013-01-01
Background As one ages, physical, cognitive, and clinical problems accumulate and the pattern of loss follows a distinct progression. The first areas requiring outside support are the Instrumental Activities of Daily Living and over time there is a need for support in performing the Activities of Daily Living. Two new functional hierarchies are presented, an IADL hierarchical capacity scale and a combination scale integrating both IADL and ADL hierarchies. Methods A secondary analyses of data from a cross-national sample of community residing persons was conducted using 762,023 interRAI assessments. The development of the new IADL Hierarchy and a new IADL-ADL combined scale proceeded through a series of interrelated steps first examining individual IADL and ADL item scores among persons receiving home care and those living independently without services. A factor analysis demonstrated the overall continuity across the IADL-ADL continuum. Evidence of the validity of the scales was explored with associative analyses of factors such as a cross-country distributional analysis for persons in home care programs, a count of functional problems across the categories of the hierarchy, an assessment of the hours of informal and formal care received each week by persons in the different categories of the hierarchy, and finally, evaluation of the relationship between cognitive status and the hierarchical IADL-ADL assignments. Results Using items from interRAI’s suite of assessment instruments, two new functional scales were developed, the interRAI IADL Hierarchy Scale and the interRAI IADL-ADL Functional Hierarchy Scale. The IADL Hierarchy Scale consisted of 5 items, meal preparation, housework, shopping, finances and medications. The interRAI IADL-ADL Functional Hierarchy Scale was created through an amalgamation of the ADL Hierarchy (developed previously) and IADL Hierarchy Scales. These scales cover the spectrum of IADL and ADL challenges faced by persons in the community. Conclusions An integrated IADL and ADL functional assessment tool is valuable. The loss in these areas follows a general hierarchical pattern and with the interRAI IADL-ADL Functional Hierarchy Scale, this progression can be reliably and validly assessed. Used across settings within the health continuum, it allows for monitoring of individuals from relative independence through episodes of care. PMID:24261417
Automated multiplex genome-scale engineering in yeast
Si, Tong; Chao, Ran; Min, Yuhao; Wu, Yuying; Ren, Wen; Zhao, Huimin
2017-01-01
Genome-scale engineering is indispensable in understanding and engineering microorganisms, but the current tools are mainly limited to bacterial systems. Here we report an automated platform for multiplex genome-scale engineering in Saccharomyces cerevisiae, an important eukaryotic model and widely used microbial cell factory. Standardized genetic parts encoding overexpression and knockdown mutations of >90% yeast genes are created in a single step from a full-length cDNA library. With the aid of CRISPR-Cas, these genetic parts are iteratively integrated into the repetitive genomic sequences in a modular manner using robotic automation. This system allows functional mapping and multiplex optimization on a genome scale for diverse phenotypes including cellulase expression, isobutanol production, glycerol utilization and acetic acid tolerance, and may greatly accelerate future genome-scale engineering endeavours in yeast. PMID:28469255
Experimental study of combustion in a turbulent free shear layer formed at a rearward facing step
NASA Technical Reports Server (NTRS)
Pitz, R. W.; Daily, J. W.
1981-01-01
A premixed propane-air flame is stabilized in a turbulent free shear layer formed at a rearward facing step. The mean and rms averages of the turbulent velocity flow field are determined by LDV for both reacting (equivalence ratio 0.57) and nonreacting flows (Reynolds number 15,000-37,000 based on step height). The effect of combustion is to shift the layer toward the recirculation zone and reduce the flame spread. For reacting flow, the growth rate is unchanged except very near the step. The probability density function of the velocity is bimodial near the origin of the reacting layer and single-peaked but often skewed elsewhere. Large-scale structures dominate the reacting shear layer. Measurements of their passing frequency from LDV are consistent with high-speed Schlieren movies of the reacting layer and indicate that the coalescence rate of the eddies in the shear layer is reduced by combustion.
Minimal-Approximation-Based Decentralized Backstepping Control of Interconnected Time-Delay Systems.
Choi, Yun Ho; Yoo, Sung Jin
2016-12-01
A decentralized adaptive backstepping control design using minimal function approximators is proposed for nonlinear large-scale systems with unknown unmatched time-varying delayed interactions and unknown backlash-like hysteresis nonlinearities. Compared with existing decentralized backstepping methods, the contribution of this paper is to design a simple local control law for each subsystem, consisting of an actual control with one adaptive function approximator, without requiring the use of multiple function approximators and regardless of the order of each subsystem. The virtual controllers for each subsystem are used as intermediate signals for designing a local actual control at the last step. For each subsystem, a lumped unknown function including the unknown nonlinear terms and the hysteresis nonlinearities is derived at the last step and is estimated by one function approximator. Thus, the proposed approach only uses one function approximator to implement each local controller, while existing decentralized backstepping control methods require the number of function approximators equal to the order of each subsystem and a calculation of virtual controllers to implement each local actual controller. The stability of the total controlled closed-loop system is analyzed using the Lyapunov stability theorem.
Stegen, James C.
2018-04-10
To improve predictions of ecosystem function in future environments, we need to integrate the ecological and environmental histories experienced by microbial communities with hydrobiogeochemistry across scales. A key issue is whether we can derive generalizable scaling relationships that describe this multiscale integration. There is a strong foundation for addressing these challenges. We have the ability to infer ecological history with null models and reveal impacts of environmental history through laboratory and field experimentation. Recent developments also provide opportunities to inform ecosystem models with targeted omics data. A major next step is coupling knowledge derived from such studies with multiscale modelingmore » frameworks that are predictive under non-steady-state conditions. This is particularly true for systems spanning dynamic interfaces, which are often hot spots of hydrobiogeochemical function. Here, we can advance predictive capabilities through a holistic perspective focused on the nexus of history, ecology, and hydrobiogeochemistry.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stegen, James C.
To improve predictions of ecosystem function in future environments, we need to integrate the ecological and environmental histories experienced by microbial communities with hydrobiogeochemistry across scales. A key issue is whether we can derive generalizable scaling relationships that describe this multiscale integration. There is a strong foundation for addressing these challenges. We have the ability to infer ecological history with null models and reveal impacts of environmental history through laboratory and field experimentation. Recent developments also provide opportunities to inform ecosystem models with targeted omics data. A major next step is coupling knowledge derived from such studies with multiscale modelingmore » frameworks that are predictive under non-steady-state conditions. This is particularly true for systems spanning dynamic interfaces, which are often hot spots of hydrobiogeochemical function. Here, we can advance predictive capabilities through a holistic perspective focused on the nexus of history, ecology, and hydrobiogeochemistry.« less
Stegen, James C
2018-01-01
To improve predictions of ecosystem function in future environments, we need to integrate the ecological and environmental histories experienced by microbial communities with hydrobiogeochemistry across scales. A key issue is whether we can derive generalizable scaling relationships that describe this multiscale integration. There is a strong foundation for addressing these challenges. We have the ability to infer ecological history with null models and reveal impacts of environmental history through laboratory and field experimentation. Recent developments also provide opportunities to inform ecosystem models with targeted omics data. A major next step is coupling knowledge derived from such studies with multiscale modeling frameworks that are predictive under non-steady-state conditions. This is particularly true for systems spanning dynamic interfaces, which are often hot spots of hydrobiogeochemical function. We can advance predictive capabilities through a holistic perspective focused on the nexus of history, ecology, and hydrobiogeochemistry.
NASA Astrophysics Data System (ADS)
Chen, Y.; Ho, C.; Chang, L.
2011-12-01
In previous decades, the climate change caused by global warming increases the occurrence frequency of extreme hydrological events. Water supply shortages caused by extreme events create great challenges for water resource management. To evaluate future climate variations, general circulation models (GCMs) are the most wildly known tools which shows possible weather conditions under pre-defined CO2 emission scenarios announced by IPCC. Because the study area of GCMs is the entire earth, the grid sizes of GCMs are much larger than the basin scale. To overcome the gap, a statistic downscaling technique can transform the regional scale weather factors into basin scale precipitations. The statistic downscaling technique can be divided into three categories include transfer function, weather generator and weather type. The first two categories describe the relationships between the weather factors and precipitations respectively based on deterministic algorithms, such as linear or nonlinear regression and ANN, and stochastic approaches, such as Markov chain theory and statistical distributions. In the weather type, the method has ability to cluster weather factors, which are high dimensional and continuous variables, into weather types, which are limited number of discrete states. In this study, the proposed downscaling model integrates the weather type, using the K-means clustering algorithm, and the weather generator, using the kernel density estimation. The study area is Shihmen basin in northern of Taiwan. In this study, the research process contains two steps, a calibration step and a synthesis step. Three sub-steps were used in the calibration step. First, weather factors, such as pressures, humidities and wind speeds, obtained from NCEP and the precipitations observed from rainfall stations were collected for downscaling. Second, the K-means clustering grouped the weather factors into four weather types. Third, the Markov chain transition matrixes and the conditional probability density function (PDF) of precipitations approximated by the kernel density estimation are calculated respectively for each weather types. In the synthesis step, 100 patterns of synthesis data are generated. First, the weather type of the n-th day are determined by the results of K-means clustering. The associated transition matrix and PDF of the weather type were also determined for the usage of the next sub-step in the synthesis process. Second, the precipitation condition, dry or wet, can be synthesized basing on the transition matrix. If the synthesized condition is dry, the quantity of precipitation is zero; otherwise, the quantity should be further determined in the third sub-step. Third, the quantity of the synthesized precipitation is assigned as the random variable of the PDF defined above. The synthesis efficiency compares the gap of the monthly mean curves and monthly standard deviation curves between the historical precipitation data and the 100 patterns of synthesis data.
Validating indicators of treatment response: application to trichotillomania.
Nelson, Samuel O; Rogers, Kate; Rusch, Natalie; McDonough, Lauren; Malloy, Elizabeth J; Falkenstein, Martha J; Banis, Maria; Haaga, David A F
2014-09-01
Different studies of the treatment of trichotillomania (TTM) have used varying standards to determine the proportion of patients who obtain clinically meaningful benefits, but there is little information on the similarity of results yielded by these methods or on their comparative validity. Data from a stepped-care (Step 1: Web-based self-help; Step 2: Individual behavior therapy; N = 60) treatment study of TTM were used to evaluate 7 potential standards: complete abstinence, ≥ 25% symptom reduction, recovery of normal functioning, and clinical significance (recovery + statistically reliable change), each of the last 3 being measured by self-report (Massachusetts General Hospital Hairpulling Scale; MGH-HPS) or interview (Psychiatric Institute Trichotillomania Scale). Depending on the metric, response rates ranged from 25 to 68%. All standards were significantly associated with one another, though less strongly for the 25% symptom reduction metrics. Concurrent (with deciding to enter Step 2 treatment) and predictive (with 3-month follow-up treatment satisfaction, TTM-related impairment, quality of life, and diagnosis) validity results were variable but generally strongest for clinical significance as measured via self-report. Routine reporting of the proportion of patients who make clinically significant improvement on the MGH-HPS, supplemented by data on complete abstinence, would bolster the interpretability of TTM treatment outcome findings. PsycINFO Database Record (c) 2014 APA, all rights reserved.
A hybrid wavelet transform based short-term wind speed forecasting approach.
Wang, Jujie
2014-01-01
It is important to improve the accuracy of wind speed forecasting for wind parks management and wind power utilization. In this paper, a novel hybrid approach known as WTT-TNN is proposed for wind speed forecasting. In the first step of the approach, a wavelet transform technique (WTT) is used to decompose wind speed into an approximate scale and several detailed scales. In the second step, a two-hidden-layer neural network (TNN) is used to predict both approximated scale and detailed scales, respectively. In order to find the optimal network architecture, the partial autocorrelation function is adopted to determine the number of neurons in the input layer, and an experimental simulation is made to determine the number of neurons within each hidden layer in the modeling process of TNN. Afterwards, the final prediction value can be obtained by the sum of these prediction results. In this study, a WTT is employed to extract these different patterns of the wind speed and make it easier for forecasting. To evaluate the performance of the proposed approach, it is applied to forecast Hexi Corridor of China's wind speed. Simulation results in four different cases show that the proposed method increases wind speed forecasting accuracy.
A Hybrid Wavelet Transform Based Short-Term Wind Speed Forecasting Approach
Wang, Jujie
2014-01-01
It is important to improve the accuracy of wind speed forecasting for wind parks management and wind power utilization. In this paper, a novel hybrid approach known as WTT-TNN is proposed for wind speed forecasting. In the first step of the approach, a wavelet transform technique (WTT) is used to decompose wind speed into an approximate scale and several detailed scales. In the second step, a two-hidden-layer neural network (TNN) is used to predict both approximated scale and detailed scales, respectively. In order to find the optimal network architecture, the partial autocorrelation function is adopted to determine the number of neurons in the input layer, and an experimental simulation is made to determine the number of neurons within each hidden layer in the modeling process of TNN. Afterwards, the final prediction value can be obtained by the sum of these prediction results. In this study, a WTT is employed to extract these different patterns of the wind speed and make it easier for forecasting. To evaluate the performance of the proposed approach, it is applied to forecast Hexi Corridor of China's wind speed. Simulation results in four different cases show that the proposed method increases wind speed forecasting accuracy. PMID:25136699
Frazzitta, Giuseppe; Zivi, Ilaria; Valsecchi, Roberto; Bonini, Sara; Maffia, Sara; Molatore, Katia; Sebastianelli, Luca; Zarucchi, Alessio; Matteri, Diana; Ercoli, Giuseppe; Maestri, Roberto; Saltuari, Leopold
2016-01-01
Verticalization was reported to improve the level of arousal and awareness in patients with severe acquired brain injury (ABI) and to be safe in ICU. We evaluated the effectiveness of a very early stepping verticalization protocol on their functional and neurological outcome. Consecutive patients with Vegetative State or Minimally Conscious State were enrolled in ICU on the third day after an ABI. They were randomized to undergo conventional physiotherapy alone or associated to fifteen 30-minute sessions of verticalization, using a tilt table with robotic stepping device. Once stabilized, patients were transferred to our Neurorehabilitation unit for an individualized treatment. Outcome measures (Glasgow Coma Scale, Coma Recovery Scale revised -CRSr-, Disability Rating Scale-DRS- and Levels of Cognitive Functioning) were assessed on the third day from the injury (T0), at ICU discharge (T1) and at Rehab discharge (T2). Between- and within-group comparisons were performed by the Mann-Whitney U test and Wilcoxon signed-rank test, respectively. Of the 40 patients enrolled, 31 completed the study without adverse events (15 in the verticalization group and 16 in the conventional physiotherapy). Early verticalization started 12.4±7.3 (mean±SD) days after ABI. The length of stay in ICU was longer for the verticalization group (38.8 ± 15.7 vs 25.1 ± 11.2 days, p = 0.01), while the total length of stay (ICU+Neurorehabilitation) was not significantly different (153.2 ± 59.6 vs 134.0 ± 61.0 days, p = 0.41). All outcome measures significantly improved in both groups after the overall period (T2 vs T0, p<0.001 all), as well as after ICU stay (T1 vs T0, p<0.004 all) and after Neurorehabilitation (T2 vs T1, p<0.004 all). The improvement was significantly better in the experimental group for CRSr (T2-T0 p = 0.033, T1-T0 p = 0.006) and (borderline) for DRS (T2-T0 p = 0.040, T1-T0 p = 0.058). A stepping verticalization protocol, started since the acute stages, improves the short-term and long-term functional and neurological outcome of ABI patients. clinicaltrials.gov NCT02828371.
Adjacent-Categories Mokken Models for Rater-Mediated Assessments
Wind, Stefanie A.
2016-01-01
Molenaar extended Mokken’s original probabilistic-nonparametric scaling models for use with polytomous data. These polytomous extensions of Mokken’s original scaling procedure have facilitated the use of Mokken scale analysis as an approach to exploring fundamental measurement properties across a variety of domains in which polytomous ratings are used, including rater-mediated educational assessments. Because their underlying item step response functions (i.e., category response functions) are defined using cumulative probabilities, polytomous Mokken models can be classified as cumulative models based on the classifications of polytomous item response theory models proposed by several scholars. In order to permit a closer conceptual alignment with educational performance assessments, this study presents an adjacent-categories variation on the polytomous monotone homogeneity and double monotonicity models. Data from a large-scale rater-mediated writing assessment are used to illustrate the adjacent-categories approach, and results are compared with the original formulations. Major findings suggest that the adjacent-categories models provide additional diagnostic information related to individual raters’ use of rating scale categories that is not observed under the original formulation. Implications are discussed in terms of methods for evaluating rating quality. PMID:29795916
Solid-State Diffusional Behaviors of Functional Metal Oxides at Atomic Scale.
Chen, Jui-Yuan; Huang, Chun-Wei; Wu, Wen-Wei
2018-02-01
Metal/metal oxides have attracted extensive research interest because of their combination of functional properties and compatibility with industry. Diffusion and thermal reliability have become essential issues that require detailed study to develop atomic-scaled functional devices. In this work, the diffusional reaction behavior that transforms piezoelectric ZnO into magnetic Fe 3 O 4 is investigated at the atomic scale. The growth kinetics of metal oxides are systematically studied through macro- and microanalyses. The growth rates are evaluated by morphology changes, which determine whether the growth behavior was a diffusion- or reaction-controlled process. Furthermore, atom attachment on the kink step is observed at the atomic scale, which has important implications for the thermodynamics of functional metal oxides. Faster growth planes simultaneously decrease, which result in the predominance of low surface energy planes. These results directly reveal the atomic formation process of metal oxide via solid-state diffusion. In addition, the nanofabricated method provides a novel approach to investigate metal oxide evolution and sheds light on diffusional reaction behavior. More importantly, the results and phenomena of this study provide considerable inspiration to enhance the material stability and reliability of metal/oxide-based devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Estimating heterotrophic respiration at large scales: Challenges, approaches, and next steps
Bond-Lamberty, Ben; Epron, Daniel; Harden, Jennifer; ...
2016-06-27
Heterotrophic respiration (HR), the aerobic and anaerobic processes mineralizing organic matter, is a key carbon flux but one impossible to measure at scales significantly larger than small experimental plots. This impedes our ability to understand carbon and nutrient cycles, benchmark models, or reliably upscale point measurements. Given that a new generation of highly mechanistic, genomic-specific global models is not imminent, we suggest that a useful step to improve this situation would be the development of Decomposition Functional Types (DFTs). Analogous to plant functional types (PFTs), DFTs would abstract and capture important differences in HR metabolism and flux dynamics, allowing modelersmore » and experimentalists to efficiently group and vary these characteristics across space and time. We argue that DFTs should be initially informed by top-down expert opinion, but ultimately developed using bottom-up, data-driven analyses, and provide specific examples of potential dependent and independent variables that could be used. We present an example clustering analysis to show how annual HR can be broken into distinct groups associated with global variability in biotic and abiotic factors, and demonstrate that these groups are distinct from (but complementary to) already-existing PFTs. A similar analysis incorporating observational data could form the basis for future DFTs. Finally, we suggest next steps and critical priorities: collection and synthesis of existing data; more in-depth analyses combining open data with rigorous testing of analytical results; using point measurements and realistic forcing variables to constrain process-based models; and planning by the global modeling community for decoupling decomposition from fixed site data. Lastly, these are all critical steps to build a foundation for DFTs in global models, thus providing the ecological and climate change communities with robust, scalable estimates of HR.« less
Estimating heterotrophic respiration at large scales: Challenges, approaches, and next steps
Bond-Lamberty, Ben; Epron, Daniel; Harden, Jennifer W.; Harmon, Mark E.; Hoffman, Forrest; Kumar, Jitendra; McGuire, Anthony David; Vargas, Rodrigo
2016-01-01
Heterotrophic respiration (HR), the aerobic and anaerobic processes mineralizing organic matter, is a key carbon flux but one impossible to measure at scales significantly larger than small experimental plots. This impedes our ability to understand carbon and nutrient cycles, benchmark models, or reliably upscale point measurements. Given that a new generation of highly mechanistic, genomic-specific global models is not imminent, we suggest that a useful step to improve this situation would be the development of “Decomposition Functional Types” (DFTs). Analogous to plant functional types (PFTs), DFTs would abstract and capture important differences in HR metabolism and flux dynamics, allowing modelers and experimentalists to efficiently group and vary these characteristics across space and time. We argue that DFTs should be initially informed by top-down expert opinion, but ultimately developed using bottom-up, data-driven analyses, and provide specific examples of potential dependent and independent variables that could be used. We present an example clustering analysis to show how annual HR can be broken into distinct groups associated with global variability in biotic and abiotic factors, and demonstrate that these groups are distinct from (but complementary to) already-existing PFTs. A similar analysis incorporating observational data could form the basis for future DFTs. Finally, we suggest next steps and critical priorities: collection and synthesis of existing data; more in-depth analyses combining open data with rigorous testing of analytical results; using point measurements and realistic forcing variables to constrain process-based models; and planning by the global modeling community for decoupling decomposition from fixed site data. These are all critical steps to build a foundation for DFTs in global models, thus providing the ecological and climate change communities with robust, scalable estimates of HR.
Kada, T; Asahi, S; Kaizu, T; Harada, Y; Tamaki, R; Okada, Y; Kita, T
2017-07-19
We studied the effects of the internal electric field on two-step photocarrier generation in InAs/GaAs quantum dot superlattice (QDSL) intermediate-band solar cells (IBSCs). The external quantum efficiency of QDSL-IBSCs was measured as a function of the internal electric field intensity, and compared with theoretical calculations accounting for interband and intersubband photoexcitations. The extra photocurrent caused by the two-step photoexcitation was maximal for a reversely biased electric field, while the current generated by the interband photoexcitation increased monotonically with increasing electric field intensity. The internal electric field in solar cells separated photogenerated electrons and holes in the superlattice (SL) miniband that played the role of an intermediate band, and the electron lifetime was extended to the microsecond scale, which improved the intersubband transition strength, therefore increasing the two-step photocurrent. There was a trade-off relation between the carrier separation enhancing the two-step photoexcitation and the electric-field-induced carrier escape from QDSLs. These results validate that long-lifetime electrons are key to maximising the two-step photocarrier generation in QDSL-IBSCs.
Impaired anticipatory control of grasp during obstacle crossing in Parkinson's disease.
McIsaac, Tara L; Diermayr, Gudrun; Albert, Frederic
2012-05-16
During self-paced walking, people with Parkinson's disease maintain anticipatory control during object grasping. However, common functional tasks often include carrying an object while changing step patterns mid-path and maneuvering over obstacles, increasing task complexity and attentional demands. Thus, the present study investigated the effect of Parkinson's disease on the modulation of grasping force changes as a function of gait-related inertial forces. Subjects with Parkinson's disease maintained the ability to scale and to couple over time their grip and inertial forces while walking at irregular step lengths, but were unable to maintain the temporal coupling of grasping forces compared to controls during obstacle crossing. We suggest that this deterioration in anticipatory control is associated with the increased demands of task complexity and attention during obstacle crossing. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.
Tsonga, Th; Kapetanakis, S; Papadopoulos, C; Papathanasiou, J; Mourgias, N; Georgiou, N; Fiska, A; Kazakos, K
2011-01-01
Background: The aim of this study was to evaluate the changes in quality of life of patients after total knee arthroplasty and to assess the changes in physical activity by using a self-reported questionnaire and by counting the number of steps 3-6 months after post-operatively. Methods: Included were fifty two elderly women (age 72.6±65.9 years, mean±SD) with knee osteoarthritis undergoing primary knee arthroplasty. Health-related quality of life, physical activity, pain and function and the number of steps were assessed before, 3 and 6 months post-operatively. We used the Medical Outcomes Study Short Form (SF-36), the Physical Activity Scale for the Elderly (PASE) and the pedometer SW200 Digiwalker of Yamax. Results: Patients showed a significant improvement (p< 0.01, η2 =0.22) in health–related quality of life, particularly in physical function, (p<0 .001) body pain (p< 0.001) and vitality scale (p< 0.001) of SF-36 at 3 and 6 months after the procedure. Physical activity (PASE score) increased at 3 and 6 months after arthroplasty (p< 0.001, η2 =0.74), and the number of steps increased 6 months after, compared to the assessment that took place 3 months after operation (p< 0.001). Conclusions: Our results suggest that total knee arthroplasty leads to a gradual improvement in quality of life of elderly patients over the first 6 post-operative months. PMID:21966339
Tsonga, Th; Kapetanakis, S; Papadopoulos, C; Papathanasiou, J; Mourgias, N; Georgiou, N; Fiska, A; Kazakos, K
2011-01-01
The aim of this study was to evaluate the changes in quality of life of patients after total knee arthroplasty and to assess the changes in physical activity by using a self-reported questionnaire and by counting the number of steps 3-6 months after post-operatively. Included were fifty two elderly women (age 72.6±65.9 years, mean±SD) with knee osteoarthritis undergoing primary knee arthroplasty. Health-related quality of life, physical activity, pain and function and the number of steps were assessed before, 3 and 6 months post-operatively. We used the Medical Outcomes Study Short Form (SF-36), the Physical Activity Scale for the Elderly (PASE) and the pedometer SW200 Digiwalker of Yamax. Patients showed a significant improvement (p< 0.01, η2 =0.22) in health-related quality of life, particularly in physical function, (p<0 .001) body pain (p< 0.001) and vitality scale (p< 0.001) of SF-36 at 3 and 6 months after the procedure. Physical activity (PASE score) increased at 3 and 6 months after arthroplasty (p< 0.001, η2 =0.74), and the number of steps increased 6 months after, compared to the assessment that took place 3 months after operation (p< 0.001). Our results suggest that total knee arthroplasty leads to a gradual improvement in quality of life of elderly patients over the first 6 post-operative months.
Compactified cosmological simulations of the infinite universe
NASA Astrophysics Data System (ADS)
Rácz, Gábor; Szapudi, István; Csabai, István; Dobos, László
2018-06-01
We present a novel N-body simulation method that compactifies the infinite spatial extent of the Universe into a finite sphere with isotropic boundary conditions to follow the evolution of the large-scale structure. Our approach eliminates the need for periodic boundary conditions, a mere numerical convenience which is not supported by observation and which modifies the law of force on large scales in an unrealistic fashion. We demonstrate that our method outclasses standard simulations executed on workstation-scale hardware in dynamic range, it is balanced in following a comparable number of high and low k modes and, its fundamental geometry and topology match observations. Our approach is also capable of simulating an expanding, infinite universe in static coordinates with Newtonian dynamics. The price of these achievements is that most of the simulated volume has smoothly varying mass and spatial resolution, an approximation that carries different systematics than periodic simulations. Our initial implementation of the method is called StePS which stands for Stereographically projected cosmological simulations. It uses stereographic projection for space compactification and naive O(N^2) force calculation which is nevertheless faster to arrive at a correlation function of the same quality than any standard (tree or P3M) algorithm with similar spatial and mass resolution. The N2 force calculation is easy to adapt to modern graphics cards, hence our code can function as a high-speed prediction tool for modern large-scale surveys. To learn about the limits of the respective methods, we compare StePS with GADGET-2 running matching initial conditions.
NASA Astrophysics Data System (ADS)
Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank
2016-01-01
Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous implementation.
NASA Astrophysics Data System (ADS)
Gotovac, Hrvoje; Srzic, Veljko
2014-05-01
Contaminant transport in natural aquifers is a complex, multiscale process that is frequently studied using different Eulerian, Lagrangian and hybrid numerical methods. Conservative solute transport is typically modeled using the advection-dispersion equation (ADE). Despite the large number of available numerical methods that have been developed to solve it, the accurate numerical solution of the ADE still presents formidable challenges. In particular, current numerical solutions of multidimensional advection-dominated transport in non-uniform velocity fields are affected by one or all of the following problems: numerical dispersion that introduces artificial mixing and dilution, grid orientation effects, unresolved spatial and temporal scales and unphysical numerical oscillations (e.g., Herrera et al, 2009; Bosso et al., 2012). In this work we will present Eulerian Lagrangian Adaptive Fup Collocation Method (ELAFCM) based on Fup basis functions and collocation approach for spatial approximation and explicit stabilized Runge-Kutta-Chebyshev temporal integration (public domain routine SERK2) which is especially well suited for stiff parabolic problems. Spatial adaptive strategy is based on Fup basis functions which are closely related to the wavelets and splines so that they are also compactly supported basis functions; they exactly describe algebraic polynomials and enable a multiresolution adaptive analysis (MRA). MRA is here performed via Fup Collocation Transform (FCT) so that at each time step concentration solution is decomposed using only a few significant Fup basis functions on adaptive collocation grid with appropriate scales (frequencies) and locations, a desired level of accuracy and a near minimum computational cost. FCT adds more collocations points and higher resolution levels only in sensitive zones with sharp concentration gradients, fronts and/or narrow transition zones. According to the our recent achievements there is no need for solving the large linear system on adaptive grid because each Fup coefficient is obtained by predefined formulas equalizing Fup expansion around corresponding collocation point and particular collocation operator based on few surrounding solution values. Furthermore, each Fup coefficient can be obtained independently which is perfectly suited for parallel processing. Adaptive grid in each time step is obtained from solution of the last time step or initial conditions and advective Lagrangian step in the current time step according to the velocity field and continuous streamlines. On the other side, we implement explicit stabilized routine SERK2 for dispersive Eulerian part of solution in the current time step on obtained spatial adaptive grid. Overall adaptive concept does not require the solving of large linear systems for the spatial and temporal approximation of conservative transport. Also, this new Eulerian-Lagrangian-Collocation scheme resolves all mentioned numerical problems due to its adaptive nature and ability to control numerical errors in space and time. Proposed method solves advection in Lagrangian way eliminating problems in Eulerian methods, while optimal collocation grid efficiently describes solution and boundary conditions eliminating usage of large number of particles and other problems in Lagrangian methods. Finally, numerical tests show that this approach enables not only accurate velocity field, but also conservative transport even in highly heterogeneous porous media resolving all spatial and temporal scales of concentration field.
Ying, Gui-shuang; Maguire, Maureen G; Alexander, Judith; Martin, Revell W; Antoszyk, Andrew N
2009-09-01
To describe characteristics of the Age-Related Eye Disease Study (AREDS) 9-step severity scale applied to participants in the Complications of Age-related Macular Degeneration Prevention Trial (CAPT). Eligibility criteria for CAPT required 10 or more large (>or=125 microm) drusen in each eye. Readers graded baseline photographs from all participants and all follow-up photographs from 402 untreated eyes. Drusen and pigment characteristics were used to assign the AREDS scale score. Choroidal neovascularization was identified from fluorescein angiograms. Geographic atrophy involving the macular center was identified from color photographs. Among 1001 untreated eyes, 90% were at steps 5 to 7 at baseline. The 5-year incidence of advanced age-related macular degeneration (AMD) increased with each step from 8% (step 4) to 40% (steps 8 and 9 combined). These rates were similar to those reported in AREDS. Among 261 eyes with all 5 annual photograph gradings available and without progression to advanced AMD, 55% of eyes had scores that indicated improvement at least once. Before progression to advanced AMD, only 32% of 141 eyes either went through step 8 or 9 or had an increase of 2 or more steps from baseline. The AREDS 9-step severity scale was predictive of development of advanced AMD. The AREDS scale has deficiencies as a surrogate outcome for progression to advanced AMD.
Self-cleaning poly(dimethylsiloxane) film with functional micro/nano hierarchical structures.
Zhang, Xiao-Sheng; Zhu, Fu-Yun; Han, Meng-Di; Sun, Xu-Ming; Peng, Xu-Hua; Zhang, Hai-Xia
2013-08-27
This paper reports a novel single-step wafer-level fabrication of superhydrophobic micro/nano dual-scale (MNDS) poly(dimethylsiloxane) (PDMS) films. The MNDS PDMS films were replicated directly from an ultralow-surface-energy silicon substrate at high temperature without any surfactant coating, achieving high precision. An improved deep reactive ion etching (DRIE) process with enhanced passivation steps was proposed to easily realize the ultralow-surface-energy MNDS silicon substrate and also utilized as a post-treatment process to strengthen the hydrophobicity of the MNDS PDMS film. The chemical modification of this enhanced passivation step to the surface energy has been studied by density functional theory, which is also the first investigation of C4F8 plasma treatment at molecular level by using first-principle calculations. From the results of a systematic study on the effect of key process parameters (i.e., baking temperature and time) on PDMS replication, insight into the interaction of hierarchical multiscale structures of polymeric materials during the micro/nano integrated fabrication process is experimentally obtained for the first time. Finite element simulation has been employed to illustrate this new phenomenon. Additionally, hierarchical PDMS pyramid arrays and V-shaped grooves have been developed and are intended for applications as functional structures for a light-absorption coating layer and directional transport of liquid droplets, respectively. This stable, self-cleaning PDMS film with functional micro/nano hierarchical structures, which is fabricated through a wafer-level single-step fabrication process using a reusable silicon mold, shows attractive potential for future applications in micro/nanodevices, especially in micro/nanofluidics.
NASA Astrophysics Data System (ADS)
Baltes, Henry; Brand, Oliver; Fedder, Gary K.; Hierold, Christofer; Korvink, Jan G.; Tabata, Osamu; Löhe, Detlef; Haußelt, Jürgen
2005-09-01
Microstructures, electronics, nanotechnology - these vast fields of research are growing together as the size gap narrows and many different materials are combined. Current research, engineering sucesses and newly commercialized products hint at the immense innovative potentials and future applications that open up once mankind controls shape and function from the atomic level right up to the visible world without any gaps. In this volume, authors from three major competence centres for microengineering illustrate step by step the process from designing and simulating microcomponents of metallic and ceramic materials to replicating micro-scale components by injection molding.
Adaptive multiresolution modeling of groundwater flow in heterogeneous porous media
NASA Astrophysics Data System (ADS)
Malenica, Luka; Gotovac, Hrvoje; Srzic, Veljko; Andric, Ivo
2016-04-01
Proposed methodology was originally developed by our scientific team in Split who designed multiresolution approach for analyzing flow and transport processes in highly heterogeneous porous media. The main properties of the adaptive Fup multi-resolution approach are: 1) computational capabilities of Fup basis functions with compact support capable to resolve all spatial and temporal scales, 2) multi-resolution presentation of heterogeneity as well as all other input and output variables, 3) accurate, adaptive and efficient strategy and 4) semi-analytical properties which increase our understanding of usually complex flow and transport processes in porous media. The main computational idea behind this approach is to separately find the minimum number of basis functions and resolution levels necessary to describe each flow and transport variable with the desired accuracy on a particular adaptive grid. Therefore, each variable is separately analyzed, and the adaptive and multi-scale nature of the methodology enables not only computational efficiency and accuracy, but it also describes subsurface processes closely related to their understood physical interpretation. The methodology inherently supports a mesh-free procedure, avoiding the classical numerical integration, and yields continuous velocity and flux fields, which is vitally important for flow and transport simulations. In this paper, we will show recent improvements within the proposed methodology. Since "state of the art" multiresolution approach usually uses method of lines and only spatial adaptive procedure, temporal approximation was rarely considered as a multiscale. Therefore, novel adaptive implicit Fup integration scheme is developed, resolving all time scales within each global time step. It means that algorithm uses smaller time steps only in lines where solution changes are intensive. Application of Fup basis functions enables continuous time approximation, simple interpolation calculations across different temporal lines and local time stepping control. Critical aspect of time integration accuracy is construction of spatial stencil due to accurate calculation of spatial derivatives. Since common approach applied for wavelets and splines uses a finite difference operator, we developed here collocation one including solution values and differential operator. In this way, new improved algorithm is adaptive in space and time enabling accurate solution for groundwater flow problems, especially in highly heterogeneous porous media with large lnK variances and different correlation length scales. In addition, differences between collocation and finite volume approaches are discussed. Finally, results show application of methodology to the groundwater flow problems in highly heterogeneous confined and unconfined aquifers.
FES-assisted Cycling Improves Aerobic Capacity and Locomotor Function Postcerebrovascular Accident.
Aaron, Stacey E; Vanderwerker, Catherine J; Embry, Aaron E; Newton, Jennifer H; Lee, Samuel C K; Gregory, Chris M
2018-03-01
After a cerebrovascular accident (CVA) aerobic deconditioning contributes to diminished physical function. Functional electrical stimulation (FES)-assisted cycling is a promising exercise paradigm designed to target both aerobic capacity and locomotor function. This pilot study aimed to evaluate the effects of an FES-assisted cycling intervention on aerobic capacity and locomotor function in individuals post-CVA. Eleven individuals with chronic (>6 months) post-CVA hemiparesis completed an 8-wk (three times per week; 24 sessions) progressive FES-assisted cycling intervention. V˙O2peak, self-selected, and fastest comfortable walking speeds, gait, and pedaling symmetry, 6-min walk test (6MWT), balance, dynamic gait movements, and health status were measured at baseline and posttraining. Functional electrical stimulation-assisted cycling significantly improved V˙O2peak (12%, P = 0.006), self-selected walking speed (SSWS, 0.05 ± 0.1 m·s, P = 0.04), Activities-specific Balance Confidence scale score (12.75 ± 17.4, P = 0.04), Berg Balance Scale score (3.91 ± 4.2, P = 0.016), Dynamic Gait Index score (1.64 ± 1.4, P = 0.016), and Stroke Impact Scale participation/role domain score (12.74 ± 16.7, P = 0.027). Additionally, pedal symmetry, represented by the paretic limb contribution to pedaling (paretic pedaling ratio [PPR]) significantly improved (10.09% ± 9.0%, P = 0.016). Although step length symmetry (paretic step ratio [PSR]) did improve, these changes were not statistically significant (-0.05% ± 0.1%, P = 0.09). Exploratory correlations showed moderate association between change in SSWS and 6-min walk test (r = 0.74), and moderate/strong negative association between change in PPR and PSR. These results support FES-assisted cycling as a means to improve both aerobic capacity and locomotor function. Improvements in SSWS, balance, dynamic walking movements, and participation in familial and societal roles are important targets for rehabilitation of individuals after CVA. Interestingly, the correlation between PSR and PPR suggests that improvements in pedaling symmetry may translate to a more symmetric gait pattern.
NASA Astrophysics Data System (ADS)
Hermens, U.; Kirner, S. V.; Emonts, C.; Comanns, P.; Skoulas, E.; Mimidis, A.; Mescheder, H.; Winands, K.; Krüger, J.; Stratakis, E.; Bonse, J.
2017-10-01
Inorganic materials, such as steel, were functionalized by ultrashort laser pulse irradiation (fs- to ps-range) to modify the surface's wetting behavior. The laser processing was performed by scanning the laser beam across the surface of initially polished flat sample material. A systematic experimental study of the laser processing parameters (peak fluence, scan velocity, line overlap) allowed the identification of different regimes associated with characteristic surface morphologies (laser-induced periodic surface structures, grooves, spikes, etc.). Analyses of the surface using optical as well as scanning electron microscopy revealed morphologies providing the optimum similarity to the natural skin of lizards. For mimicking skin structures of moisture-harvesting lizards towards an optimization of the surface wetting behavior, additionally a two-step laser processing strategy was established for realizing hierarchical microstructures. In this approach, micrometer-scaled capillaries (step 1) were superimposed by a laser-generated regular array of small dimples (step 2). Optical focus variation imaging measurements finally disclosed the three dimensional topography of the laser processed surfaces derived from lizard skin structures. The functionality of these surfaces was analyzed in view of wetting properties.
Luenser, Arne; Kussmann, Jörg; Ochsenfeld, Christian
2016-09-28
We present a (sub)linear-scaling algorithm to determine indirect nuclear spin-spin coupling constants at the Hartree-Fock and Kohn-Sham density functional levels of theory. Employing efficient integral algorithms and sparse algebra routines, an overall (sub)linear scaling behavior can be obtained for systems with a non-vanishing HOMO-LUMO gap. Calculations on systems with over 1000 atoms and 20 000 basis functions illustrate the performance and accuracy of our reference implementation. Specifically, we demonstrate that linear algebra dominates the runtime of conventional algorithms for 10 000 basis functions and above. Attainable speedups of our method exceed 6 × in total runtime and 10 × in the linear algebra steps for the tested systems. Furthermore, a convergence study of spin-spin couplings of an aminopyrazole peptide upon inclusion of the water environment is presented: using the new method it is shown that large solvent spheres are necessary to converge spin-spin coupling values.
Boron Nitride Nanotubes: Recent Advances in Their Synthesis, Functionalization, and Applications.
Lee, Chee Huei; Bhandari, Shiva; Tiwari, Bishnu; Yapici, Nazmiye; Zhang, Dongyan; Yap, Yoke Khin
2016-07-15
A comprehensive overview of current research progress on boron nitride nanotubes (BNNTs) is presented in this article. Particularly, recent advancements in controlled synthesis and large-scale production of BNNTs will first be summarized. While recent success in mass production of BNNTs has opened up new opportunities to implement the appealing properties in various applications, concerns about product purity and quality still remain. Secondly, we will summarize the progress in functionalization of BNNTs, which is the necessary step for their applications. Additionally, selected potential applications in structural composites and biomedicine will be highlighted.
Time scale of diffusion in molecular and cellular biology
NASA Astrophysics Data System (ADS)
Holcman, D.; Schuss, Z.
2014-05-01
Diffusion is the driver of critical biological processes in cellular and molecular biology. The diverse temporal scales of cellular function are determined by vastly diverse spatial scales in most biophysical processes. The latter are due, among others, to small binding sites inside or on the cell membrane or to narrow passages between large cellular compartments. The great disparity in scales is at the root of the difficulty in quantifying cell function from molecular dynamics and from simulations. The coarse-grained time scale of cellular function is determined from molecular diffusion by the mean first passage time of molecular Brownian motion to a small targets or through narrow passages. The narrow escape theory (NET) concerns this issue. The NET is ubiquitous in molecular and cellular biology and is manifested, among others, in chemical reactions, in the calculation of the effective diffusion coefficient of receptors diffusing on a neuronal cell membrane strewn with obstacles, in the quantification of the early steps of viral trafficking, in the regulation of diffusion between the mother and daughter cells during cell division, and many other cases. Brownian trajectories can represent the motion of a molecule, a protein, an ion in solution, a receptor in a cell or on its membrane, and many other biochemical processes. The small target can represent a binding site or an ionic channel, a hidden active site embedded in a complex protein structure, a receptor for a neurotransmitter on the membrane of a neuron, and so on. The mean time to attach to a receptor or activator determines diffusion fluxes that are key regulators of cell function. This review describes physical models of various subcellular microdomains, in which the NET coarse-grains the molecular scale to a higher cellular-level, thus clarifying the role of cell geometry in determining subcellular function.
Chang, Wing Chung; Kwong, Vivian Wing Yan; Or Chi Fai, Philip; Lau, Emily Sin Kei; Chan, Gloria Hoi Kei; Jim, Olivia Tsz Ting; Hui, Christy Lai Ming; Chan, Sherry Kit Wa; Lee, Edwin Ho Ming; Chen, Eric Yu Hai
2018-02-01
Functional remission represents an intermediate functional milestone toward recovery. Differential relationships of negative symptom sub-domains with functional remission in first-episode psychosis are understudied. We aimed to examine rate and predictors of functional remission in people with first-episode psychosis in the context of a 3-year follow-up of a randomized controlled trial comparing 1-year extension of early intervention (i.e. 3-year early intervention) with step-down psychiatric care (i.e. 2-year early intervention). A total of 160 participants were recruited upon completion of a 2-year specialized early intervention program for first-episode psychosis in Hong Kong and underwent a 1-year randomized controlled trial comparing 1-year extended early intervention with step-down care. Participants were followed up and reassessed 3 years after inclusion to the trial (i.e. 3-year follow-up). Functional remission was operationalized as simultaneous fulfillment of attaining adequate functioning (measured by Social and Occupational Functioning Scale and Role Functioning Scale) at 3-year follow-up and sustained employment in the last 6 months of 3-year study period. Negative symptom measure was delineated into amotivation (i.e. motivational impairment) and diminished expression (i.e. reduced affect and speech output). Data analysis was based on 143 participants who completed follow-up functional assessments. A total of 31 (21.7%) participants achieved functional remission status at 3-year follow-up. Multivariate regression analysis showed that lower levels of amotivation ( p = 0.010) and better functioning at study intake ( p = 0.004) independently predicted functional remission (Final model: Nagelkerke R 2 = 0.40, χ 2 = 42.9, p < 0.001). Extended early intervention, duration of untreated psychosis and diminished expression did not predict functional remission. Only approximately one-fifths of early psychosis patients were found to achieve functional remission. Functional impairment remains an unmet treatment need in the early stage of psychotic illness. Our results further suggest that amotivation may represent a critical therapeutic target for functional remission attainment in early psychosis.
Development of new impact functions for global risk caused by climate change
NASA Astrophysics Data System (ADS)
Miyazaki, C.
2014-12-01
The purpose of our study is to identify and quantify global-scale risks which can be caused by future climate change. In particular, we focus on the global-scale risks which have critical impacts to human environments. Use of impact functions is one of the common way to quantify global-scale risks. Output of impact function is climate impacts (e.g. economic damage by temperature increasing) and input can be global temperature increasing and/or socioeconomic condition (e.g. GDP). As the first step of study, we referred to AR5 WG II report (AR5, hereafter) and comprehensive inventories of climate change risks developed by Strategic R&D Area Project of the Environment Research and Technology Development Fund (ICA-RUS project). Then we extracted information which can be used to develop impact function from them. By following SPM/AR5, we focused on 11 sectors and extracted quantitative description on climate impacts from the AR5 and paper/reports cited in AR5. As a result, we identified about 40 risk items to focus as global-scale risks by climate change. Using the collected information, we tentatively made impact function on sea level rise and so on. In addition, we also extracted the impact functions used in Integrated Assessment Models (IAMs). The literature survey on IAM suggested the risk items considered in IAMs are limited. For instance, although FUND model provides detailed impact functions compared with most of other IAMs, its impact functions deal with only several sectors (e.g. agriculture, forestry, biodiversity, sea level rise, human health, energy demand and water resources). The survey on impact functions in IAMs also suggested impact function for abrupt climate change (so-called Tipping Element) is premature. Moreover, as example for quantifying health risk by our calculation, we also present the result on global-scale projection of the health burden attributable to childhood undernutrition (Ishida et al., 2014, ERL).
A wavelet based method for automatic detection of slow eye movements: a pilot study.
Magosso, Elisa; Provini, Federica; Montagna, Pasquale; Ursino, Mauro
2006-11-01
Electro-oculographic (EOG) activity during the wake-sleep transition is characterized by the appearance of slow eye movements (SEM). The present work describes an algorithm for the automatic localisation of SEM events from EOG recordings. The algorithm is based on a wavelet multiresolution analysis of the difference between right and left EOG tracings, and includes three main steps: (i) wavelet decomposition down to 10 detail levels (i.e., 10 scales), using Daubechies order 4 wavelet; (ii) computation of energy in 0.5s time steps at any level of decomposition; (iii) construction of a non-linear discriminant function expressing the relative energy of high-scale details to both high- and low-scale details. The main assumption is that the value of the discriminant function increases above a given threshold during SEM episodes due to energy redistribution toward higher scales. Ten EOG recordings from ten male patients with obstructive sleep apnea syndrome were used. All tracings included a period from pre-sleep wakefulness to stage 2 sleep. Two experts inspected the tracings separately to score SEMs. A reference set of SEM (gold standard) were obtained by joint examination by both experts. Parameters of the discriminant function were assigned on three tracings (design set) to minimize the disagreement between the system classification and classification by the two experts; the algorithm was then tested on the remaining seven tracings (test set). Results show that the agreement between the algorithm and the gold standard was 80.44+/-4.09%, the sensitivity of the algorithm was 67.2+/-7.37% and the selectivity 83.93+/-8.65%. However, most errors were not caused by an inability of the system to detect intervals with SEM activity against NON-SEM intervals, but were due to a different localisation of the beginning and end of some SEM episodes. The proposed method may be a valuable tool for computerized EOG analysis.
Stochastic analysis of particle movement over a dune bed
Lee, Baum K.; Jobson, Harvey E.
1977-01-01
Stochastic models are available that can be used to predict the transport and dispersion of bed-material sediment particles in an alluvial channel. These models are based on the proposition that the movement of a single bed-material sediment particle consists of a series of steps of random length separated by rest periods of random duration and, therefore, application of the models requires a knowledge of the probability distributions of the step lengths, the rest periods, the elevation of particle deposition, and the elevation of particle erosion. The procedure was tested by determining distributions from bed profiles formed in a large laboratory flume with a coarse sand as the bed material. The elevation of particle deposition and the elevation of particle erosion can be considered to be identically distributed, and their distribution can be described by either a ' truncated Gaussian ' or a ' triangular ' density function. The conditional probability distribution of the rest period given the elevation of particle deposition closely followed the two-parameter gamma distribution. The conditional probability distribution of the step length given the elevation of particle erosion and the elevation of particle deposition also closely followed the two-parameter gamma density function. For a given flow, the scale and shape parameters describing the gamma probability distributions can be expressed as functions of bed-elevation. (Woodard-USGS)
Computing Prediction and Functional Analysis of Prokaryotic Propionylation.
Wang, Li-Na; Shi, Shao-Ping; Wen, Ping-Ping; Zhou, Zhi-You; Qiu, Jian-Ding
2017-11-27
Identification and systematic analysis of candidates for protein propionylation are crucial steps for understanding its molecular mechanisms and biological functions. Although several proteome-scale methods have been performed to delineate potential propionylated proteins, the majority of lysine-propionylated substrates and their role in pathological physiology still remain largely unknown. By gathering various databases and literatures, experimental prokaryotic propionylation data were collated to be trained in a support vector machine with various features via a three-step feature selection method. A novel online tool for seeking potential lysine-propionylated sites (PropSeek) ( http://bioinfo.ncu.edu.cn/PropSeek.aspx ) was built. Independent test results of leave-one-out and n-fold cross-validation were similar to each other, showing that PropSeek is a stable and robust predictor with satisfying performance. Meanwhile, analyses of Gene Ontology, Kyoto Encyclopedia of Genes and Genomes pathways, and protein-protein interactions implied a potential role of prokaryotic propionylation in protein synthesis and metabolism.
The Multi-Step CADIS method for shutdown dose rate calculations and uncertainty propagation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ibrahim, Ahmad M.; Peplow, Douglas E.; Grove, Robert E.
2015-12-01
Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple becausemore » it is difficult to explicitly express the response function, which depends on subsequent computational steps. Furthermore, the typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty.« less
Wang, Sheng; Xing, Haiying; Hua, Chenlei; Guo, Hui-Shan; Zhang, Jie
2016-06-01
The soilborne fungal pathogen Verticillium dahliae infects a broad range of plant species to cause severe diseases. The availability of Verticillium genome sequences has provided opportunities for large-scale investigations of individual gene function in Verticillium strains using Agrobacterium tumefaciens-mediated transformation (ATMT)-based gene-disruption strategies. Traditional ATMT vectors require multiple cloning steps and elaborate characterization procedures to achieve successful gene replacement; thus, these vectors are not suitable for high-throughput ATMT-based gene deletion. Several advancements have been made that either involve simplification of the steps required for gene-deletion vector construction or increase the efficiency of the technique for rapid recombinant characterization. However, an ATMT binary vector that is both simple and efficient is still lacking. Here, we generated a USER-ATMT dual-selection (DS) binary vector, which combines both the advantages of the USER single-step cloning technique and the efficiency of the herpes simplex virus thymidine kinase negative-selection marker. Highly efficient deletion of three different genes in V. dahliae using the USER-ATMT-DS vector enabled verification that this newly-generated vector not only facilitates the cloning process but also simplifies the subsequent identification of fungal homologous recombinants. The results suggest that the USER-ATMT-DS vector is applicable for efficient gene deletion and suitable for large-scale gene deletion in V. dahliae.
On the large eddy simulation of turbulent flows in complex geometry
NASA Technical Reports Server (NTRS)
Ghosal, Sandip
1993-01-01
Application of the method of Large Eddy Simulation (LES) to a turbulent flow consists of three separate steps. First, a filtering operation is performed on the Navier-Stokes equations to remove the small spatial scales. The resulting equations that describe the space time evolution of the 'large eddies' contain the subgrid-scale (sgs) stress tensor that describes the effect of the unresolved small scales on the resolved scales. The second step is the replacement of the sgs stress tensor by some expression involving the large scales - this is the problem of 'subgrid-scale modeling'. The final step is the numerical simulation of the resulting 'closed' equations for the large scale fields on a grid small enough to resolve the smallest of the large eddies, but still much larger than the fine scale structures at the Kolmogorov length. In dividing a turbulent flow field into 'large' and 'small' eddies, one presumes that a cut-off length delta can be sensibly chosen such that all fluctuations on a scale larger than delta are 'large eddies' and the remainder constitute the 'small scale' fluctuations. Typically, delta would be a length scale characterizing the smallest structures of interest in the flow. In an inhomogeneous flow, the 'sensible choice' for delta may vary significantly over the flow domain. For example, in a wall bounded turbulent flow, most statistical averages of interest vary much more rapidly with position near the wall than far away from it. Further, there are dynamically important organized structures near the wall on a scale much smaller than the boundary layer thickness. Therefore, the minimum size of eddies that need to be resolved is smaller near the wall. In general, for the LES of inhomogeneous flows, the width of the filtering kernel delta must be considered to be a function of position. If a filtering operation with a nonuniform filter width is performed on the Navier-Stokes equations, one does not in general get the standard large eddy equations. The complication is caused by the fact that a filtering operation with a nonuniform filter width in general does not commute with the operation of differentiation. This is one of the issues that we have looked at in detail as it is basic to any attempt at applying LES to complex geometry flows. Our principal findings are summarized.
Krebs, Erin E; Gravely, Amy; Nugent, Sean; Jensen, Agnes C; DeRonne, Beth; Goldsmith, Elizabeth S; Kroenke, Kurt; Bair, Matthew J; Noorbaloochi, Siamak
2018-03-06
Limited evidence is available regarding long-term outcomes of opioids compared with nonopioid medications for chronic pain. To compare opioid vs nonopioid medications over 12 months on pain-related function, pain intensity, and adverse effects. Pragmatic, 12-month, randomized trial with masked outcome assessment. Patients were recruited from Veterans Affairs primary care clinics from June 2013 through December 2015; follow-up was completed December 2016. Eligible patients had moderate to severe chronic back pain or hip or knee osteoarthritis pain despite analgesic use. Of 265 patients enrolled, 25 withdrew prior to randomization and 240 were randomized. Both interventions (opioid and nonopioid medication therapy) followed a treat-to-target strategy aiming for improved pain and function. Each intervention had its own prescribing strategy that included multiple medication options in 3 steps. In the opioid group, the first step was immediate-release morphine, oxycodone, or hydrocodone/acetaminophen. For the nonopioid group, the first step was acetaminophen (paracetamol) or a nonsteroidal anti-inflammatory drug. Medications were changed, added, or adjusted within the assigned treatment group according to individual patient response. The primary outcome was pain-related function (Brief Pain Inventory [BPI] interference scale) over 12 months and the main secondary outcome was pain intensity (BPI severity scale). For both BPI scales (range, 0-10; higher scores = worse function or pain intensity), a 1-point improvement was clinically important. The primary adverse outcome was medication-related symptoms (patient-reported checklist; range, 0-19). Among 240 randomized patients (mean age, 58.3 years; women, 32 [13.0%]), 234 (97.5%) completed the trial. Groups did not significantly differ on pain-related function over 12 months (overall P = .58); mean 12-month BPI interference was 3.4 for the opioid group and 3.3 for the nonopioid group (difference, 0.1 [95% CI, -0.5 to 0.7]). Pain intensity was significantly better in the nonopioid group over 12 months (overall P = .03); mean 12-month BPI severity was 4.0 for the opioid group and 3.5 for the nonopioid group (difference, 0.5 [95% CI, 0.0 to 1.0]). Adverse medication-related symptoms were significantly more common in the opioid group over 12 months (overall P = .03); mean medication-related symptoms at 12 months were 1.8 in the opioid group and 0.9 in the nonopioid group (difference, 0.9 [95% CI, 0.3 to 1.5]). Treatment with opioids was not superior to treatment with nonopioid medications for improving pain-related function over 12 months. Results do not support initiation of opioid therapy for moderate to severe chronic back pain or hip or knee osteoarthritis pain. clinicaltrials.gov Identifier: NCT01583985.
Efficacy of isokinetic exercise on functional capacity and pain in patellofemoral pain syndrome.
Alaca, Ridvan; Yilmaz, Bilge; Goktepe, A Salim; Mohur, Haydar; Kalyon, Tunc Alp
2002-11-01
To assess the effect of an isokinetic exercise program on symptoms and functions of patients with patellofemoral pain syndrome. A total of 22 consecutive patients with the complaint of anterior knee pain who met the inclusion criteria were recruited to assess the efficacy of isokinetic exercise on functional capacity, isokinetic parameters, and pain scores in patients with patellofemoral pain syndrome. A total of 37 knees were examined. Six-meter hopping, three-step hopping, and single-limb hopping course tests were performed for each patient with the measurements of the Lysholm scale and visual analog scale. Tested parameters were peak torque, total work, average power, and endurance ratios. Statistical analyses revealed that at the end of the 6-wk treatment period, functional and isokinetic parameters improved significantly, as did pain scores. There was not statistically significant correlation between different groups of parameters. The isokinetic exercise treatment program used in this study prevented the extensor power loss due to patellofemoral pain syndrome, but the improvement in the functional capacity was not correlated with the gained power.
Fine-scale movement decisions of tropical forest birds in a fragmented landscape.
Gillies, Cameron S; Beyer, Hawthorne L; St Clair, Colleen Cassady
2011-04-01
The persistence of forest-dependent species in fragmented landscapes is fundamentally linked to the movement of individuals among subpopulations. The paths taken by dispersing individuals can be considered a series of steps built from individual route choices. Despite the importance of these fine-scale movement decisions, it has proved difficult to collect such data that reveal how forest birds move in novel landscapes. We collected unprecedented route information about the movement of translocated forest birds from two species in the highly fragmented tropical dry forest of Costa Rica. In this pasture-dominated landscape, forest remains in patches or riparian corridors, with lesser amounts of living fencerows and individual trees or "stepping stones." We used step selection functions to quantify how route choice was influenced by these habitat elements. We found that the amount of risk these birds were willing to take by crossing open habitat was context dependent. The forest-specialist Barred Antshrike (Thamnophilus doliatus) exhibited stronger selection for forested routes when moving in novel landscapes distant from its territory relative to locations closer to its territory. It also selected forested routes when its step originated in forest habitat. It preferred steps ending in stepping stones when the available routes had little forest cover, but avoided them when routes had greater forest cover. The forest-generalist Rufous-naped Wren (Campylorhynchus rufinucha) preferred steps that contained more pasture, but only when starting from non-forest habitats. Our results showed that forested corridors (i.e., riparian corridors) best facilitated the movement of a sensitive forest specialist through this fragmented landscape. They also suggested that stepping stones can be important in highly fragmented forests with little remaining forest cover. We expect that naturally dispersing birds and species with greater forest dependence would exhibit even stronger selection for forested routes than did the birds in our experiments.
Micrometer scale spacings between fibronectin nanodots regulate cell morphology and focal adhesions
NASA Astrophysics Data System (ADS)
Horzum, Utku; Ozdil, Berrin; Pesen-Okvur, Devrim
2014-04-01
Cell adhesion to extracellular matrix is an important process for both health and disease states. Surface protein patterns that are topographically flat, and do not introduce other chemical, topographical or rigidity related functionality and, more importantly, that mimic the organization of the in vivo extracellular matrix are desired. Previous work showed that vinculin and cytoskeletal organization are modulated by size and shape of surface nanopatterns. However, quantitative analysis on cell morphology and focal adhesions as a function of micrometer scale spacings of FN nanopatterns was absent. Here, electron beam lithography was used to pattern fibronectin nanodots with micrometer scale spacings on a K-casein background on indium tin oxide coated glass which, unlike silicon, is transparent and thus suitable for many light microscopy techniques. Exposure times were significantly reduced using the line exposure mode with micrometer scale step sizes. Micrometer scale spacings of 2, 4 and 8 μm between fibronectin nanodots proved to modulate cell adhesion through modification of cell area, focal adhesion number, size and circularity. Overall, cell behavior was shown to shift at the apparent threshold of 4 μm spacing. The findings presented here offer exciting new opportunities for cell biology research.
Zhang, Yan; Zhang, Ting; Feng, Yanye; Lu, Xiuxiu; Lan, Wenxian; Wang, Jufang; Wu, Houming; Cao, Chunyang; Wang, Xiaoning
2011-01-01
The production of recombinant proteins in a large scale is important for protein functional and structural studies, particularly by using Escherichia coli over-expression systems; however, approximate 70% of recombinant proteins are over-expressed as insoluble inclusion bodies. Here we presented an efficient method for generating soluble proteins from inclusion bodies by using two steps of denaturation and one step of refolding. We first demonstrated the advantages of this method over a conventional procedure with one denaturation step and one refolding step using three proteins with different folding properties. The refolded proteins were found to be active using in vitro tests and a bioassay. We then tested the general applicability of this method by analyzing 88 proteins from human and other organisms, all of which were expressed as inclusion bodies. We found that about 76% of these proteins were refolded with an average of >75% yield of soluble proteins. This “two-step-denaturing and refolding” (2DR) method is simple, highly efficient and generally applicable; it can be utilized to obtain active recombinant proteins for both basic research and industrial purposes. PMID:21829569
Zhang, Hong; Zapol, Peter; Dixon, David A.; ...
2015-11-17
The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Hong; Zapol, Peter; Dixon, David A.
The Shift-and-invert parallel spectral transformations (SIPs), a computational approach to solve sparse eigenvalue problems, is developed for massively parallel architectures with exceptional parallel scalability and robustness. The capabilities of SIPs are demonstrated by diagonalization of density-functional based tight-binding (DFTB) Hamiltonian and overlap matrices for single-wall metallic carbon nanotubes, diamond nanowires, and bulk diamond crystals. The largest (smallest) example studied is a 128,000 (2000) atom nanotube for which ~330,000 (~5600) eigenvalues and eigenfunctions are obtained in ~190 (~5) seconds when parallelized over 266,144 (16,384) Blue Gene/Q cores. Weak scaling and strong scaling of SIPs are analyzed and the performance of SIPsmore » is compared with other novel methods. Different matrix ordering methods are investigated to reduce the cost of the factorization step, which dominates the time-to-solution at the strong scaling limit. As a result, a parallel implementation of assembling the density matrix from the distributed eigenvectors is demonstrated.« less
Pollock, Courtney L; Boyd, Lara A; Hunt, Michael A; Garland, S Jayne
2014-04-01
Stepping reactions are important for walking balance and community-level mobility. Stepping reactions of people with stroke are characterized by slow reaction times, poor coordination of motor responses, and low amplitude of movements, which may contribute to their decreased ability to recover their balance when challenged. An important aspect of rehabilitation of mobility after stroke is optimizing the motor learning associated with retraining effective stepping reactions. The Challenge Point Framework (CPF) is a model that can be used to promote motor learning through manipulation of conditions of practice to modify task difficulty, that is, the interaction of the skill of the learner and the difficulty of the task to be learned. This case series illustrates how the retraining of multidirectional stepping reactions may be informed by the CPF to improve balance function in people with stroke. Four people (53-68 years of age) with chronic stroke (>1 year) and mild to moderate motor recovery received 4 weeks of multidirectional stepping reaction retraining. Important tenets of motor learning were optimized for each person during retraining in accordance with the CPF. Participants demonstrated improved community-level walking balance, as determined with the Community Balance and Mobility Scale. These improvements were evident 1 year later. Aspects of balance-related self-efficacy and movement kinematics also showed improvements during the course of the intervention. The application of CPF motor learning principles in the retraining of stepping reactions to improve community-level walking balance in people with chronic stroke appears to be promising. The CPF provides a plausible theoretical framework for the progression of functional task training in neurorehabilitation.
Heat Fluxes and Evaporation Measurements by Multi-Function Heat Pulse Probe: a Laboratory Experiment
NASA Astrophysics Data System (ADS)
Sharma, V.; Ciocca, F.; Hopmans, J. W.; Kamai, T.; Lunati, I.; Parlange, M. B.
2012-04-01
Multi Functional Heat Pulse Probes (MFHPP) are multi-needles probes developed in the last years able to measure temperature, thermal properties such as thermal diffusivity and volumetric heat capacity, from which soil moisture is directly retrieved, and electric conductivity (through a Wenner array). They allow the simultaneous measurement of coupled heat, water and solute transport in porous media, then. The use of only one instrument to estimate different quantities in the same volume and almost at the same time significantly reduces the need to interpolate different measurement types in space and time, increasing the ability to study the interdependencies characterizing the coupled transports, especially of water and heat, and water and solute. A three steps laboratory experiment is realized at EPFL to investigate the effectiveness and reliability of the MFHPP responses in a loamy soil from Conthey, Switzerland. In the first step specific calibration curves of volumetric heat capacity and thermal conductivity as function of known volumetric water content are obtained placing the MFHPP in small samplers filled with the soil homogeneously packed at different saturation degrees. The results are compared with literature values. In the second stage the ability of the MFHPP to measure heat fluxes is tested within a homemade thermally insulated calibration box and results are matched with those by two self-calibrating Heatflux plates (from Huxseflux), placed in the same box. In the last step the MFHPP are used to estimate the cumulative subsurface evaporation inside a small column (30 centimeters height per 8 centimeters inner diameter), placed on a scale, filled with the same loamy soil (homogeneously packed and then saturated) and equipped with a vertical array of four MFHPP inserted close to the surface. The subsurface evaporation is calculated from the difference between the net sensible heat and the net heat storage in the volume scanned by the probes, and the values obtained are matched with the overall evaporation, estimated through the scale in terms of weight loss. A numerical model able to solve the coupled heat-moisture diffusive equations is used to interpolate the obtained measures in the second and third step.
Kalron, Alon; Rosenblum, Uri; Frid, Lior; Achiron, Anat
2017-03-01
Evaluate the effects of a Pilates exercise programme on walking and balance in people with multiple sclerosis and compare this exercise approach to conventional physical therapy sessions. Randomized controlled trial. Multiple Sclerosis Center, Sheba Medical Center, Tel-Hashomer, Israel. Forty-five people with multiple sclerosis, 29 females, mean age (SD) was 43.2 (11.6) years; mean Expanded Disability Status Scale (S.D) was 4.3 (1.3). Participants received 12 weekly training sessions of either Pilates ( n=22) or standardized physical therapy ( n=23) in an outpatient basis. Spatio-temporal parameters of walking and posturography parameters during static stance. Functional tests included the Time Up and Go Test, 2 and 6-minute walk test, Functional Reach Test, Berg Balance Scale and the Four Square Step Test. In addition, the following self-report forms included the Multiple Sclerosis Walking Scale and Modified Fatigue Impact Scale. At the termination, both groups had significantly increased their walking speed ( P=0.021) and mean step length ( P=0.023). According to the 2-minute and 6-minute walking tests, both groups at the end of the intervention program had increased their walking speed. Mean (SD) increase in the Pilates and physical therapy groups were 39.1 (78.3) and 25.3 (67.2) meters, respectively. There was no effect of group X time in all instrumented and clinical balance and gait measures. Pilates is a possible treatment option for people with multiple sclerosis in order to improve their walking and balance capabilities. However, this approach does not have any significant advantage over standardized physical therapy.
TOPICAL REVIEW: Vicinal surfaces for functional nanostructures
NASA Astrophysics Data System (ADS)
Tegenkamp, Christoph
2009-01-01
Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF2, MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.
Vicinal surfaces for functional nanostructures.
Tegenkamp, Christoph
2009-01-07
Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF(2), MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.
Leach, Susan J; Magill, Richard A; Maring, Joyce R
2017-01-01
A spinal cord injury (SCI) frequently results in impaired balance, endurance, and strength with subsequent limitations in functional mobility and community participation. The purpose of this case report was to implement a training program for an individual with a chronic incomplete SCI using a novel divided-attention stepping accuracy task (DASAT) to determine if improvements could be made in impairments, activities, and participation. The client was a 51-year-old male with a motor incomplete C4 SCI sustained 4 years prior. He presented with decreased quality of life (QOL) and functional independence, and deficits in balance, endurance, and strength consistent with central cord syndrome. The client completed the DASAT intervention 3 times per week for 6 weeks. Each session incorporated 96 multi-directional steps to randomly-assigned targets in response to 3-step verbal commands. QOL, measured using the SF-36, was generally enhanced but fluctuated. Community mobility progressed from close supervision to independence. Significant improvement was achieved in all balance scores: Berg Balance Scale by 9 points [Minimal Detectable Change (MDC) = 4.9 in elderly]; Functional Reach Test by 7.62 cm (MDC = 5.16 in C5/C6 SCI); and Timed Up-and-Go by 0.53 s (MDC not established). Endurance increased on the 6-Minute Walk Test, with the client achieving an additional 47 m (MDC = 45.8 m). Lower extremity isokinetic peak torque strength measures were mostly unchanged. Six minutes of DASAT training per session provided an efficient, low-cost intervention utilizing multiple trials of variable practice, and resulted in better performance in activities, balance, and endurance in this client.
Zeilinger, Katrin; Schreiter, Thomas; Darnell, Malin; Söderdahl, Therese; Lübberstedt, Marc; Dillner, Birgitta; Knobeloch, Daniel; Nüssler, Andreas K; Gerlach, Jörg C; Andersson, Tommy B
2011-05-01
Within the scope of developing an in vitro culture model for pharmacological research on human liver functions, a three-dimensional multicompartment hollow fiber bioreactor proven to function as a clinical extracorporeal liver support system was scaled down in two steps from 800 mL to 8 mL and 2 mL bioreactors. Primary human liver cells cultured over 14 days in 800, 8, or 2 mL bioreactors exhibited comparable time-course profiles for most of the metabolic parameters in the different bioreactor size variants. Major drug-metabolizing cytochrome P450 activities analyzed in the 2 mL bioreactor were preserved over up to 23 days. Immunohistochemical studies revealed tissue-like structures of parenchymal and nonparenchymal cells in the miniaturized bioreactor, indicating physiological reorganization of the cells. Moreover, the canalicular transporters multidrug-resistance-associated protein 2, multidrug-resistance protein 1 (P-glycoprotein), and breast cancer resistance protein showed a similar distribution pattern to that found in human liver tissue. In conclusion, the down-scaled multicompartment hollow fiber technology allows stable maintenance of primary human liver cells and provides an innovative tool for pharmacological and kinetic studies of hepatic functions with small cell numbers.
Unified gas-kinetic scheme with multigrid convergence for rarefied flow study
NASA Astrophysics Data System (ADS)
Zhu, Yajun; Zhong, Chengwen; Xu, Kun
2017-09-01
The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for obtaining a convergent steady state solution.
Inventory of forest and rangeland and detection of forest stress
NASA Technical Reports Server (NTRS)
Heller, R. C.; Aldrich, R. C.; Weber, F. P.; Driscoll, R. S. (Principal Investigator)
1973-01-01
The author has identified the following significant results. At the Atlanta site (226B) it was found that bulk color composites for October 15, 1972, and April 13, 1973, can be interpreted together to disclose the location of the perennial Kudzu vine (Pyeraria lobata). Land managers concerned with Kudzu eradication could use ERTS-1 to inventory locations over 200 meters (660 feet) square. Microdensitometer data collected on ERTS-1 Bulk photographic products for the Manitou test site (226C) have shown that the 15-step gray-scale tablets are not of systematic equal values corresponding to 1/14 the maximum radiant energy incident on the MSS sensor. The gray-scale values present a third-order polynomial function rather than a direct linear relationship. Although data collected on step tablets for precision photographic products appear more discrete, the density variation within blocks in almost as great as variations between blocks. These system errors will cause problems when attempting to analyze radiometric variances among vegetation and land use classes.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ulissi, Zachary W.; Medford, Andrew J.; Bligaard, Thomas
Surface reaction networks involving hydrocarbons exhibit enormous complexity with thousands of species and reactions for all but the very simplest of chemistries. We present a framework for optimization under uncertainty for heterogeneous catalysis reaction networks using surrogate models that are trained on the fly. The surrogate model is constructed by teaching a Gaussian process adsorption energies based on group additivity fingerprints, combined with transition-state scaling relations and a simple classifier for determining the rate-limiting step. The surrogate model is iteratively used to predict the most important reaction step to be calculated explicitly with computationally demanding electronic structure theory. Applying thesemore » methods to the reaction of syngas on rhodium(111), we identify the most likely reaction mechanism. Lastly, propagating uncertainty throughout this process yields the likelihood that the final mechanism is complete given measurements on only a subset of the entire network and uncertainty in the underlying density functional theory calculations.« less
Ulissi, Zachary W.; Medford, Andrew J.; Bligaard, Thomas; ...
2017-03-06
Surface reaction networks involving hydrocarbons exhibit enormous complexity with thousands of species and reactions for all but the very simplest of chemistries. We present a framework for optimization under uncertainty for heterogeneous catalysis reaction networks using surrogate models that are trained on the fly. The surrogate model is constructed by teaching a Gaussian process adsorption energies based on group additivity fingerprints, combined with transition-state scaling relations and a simple classifier for determining the rate-limiting step. The surrogate model is iteratively used to predict the most important reaction step to be calculated explicitly with computationally demanding electronic structure theory. Applying thesemore » methods to the reaction of syngas on rhodium(111), we identify the most likely reaction mechanism. Lastly, propagating uncertainty throughout this process yields the likelihood that the final mechanism is complete given measurements on only a subset of the entire network and uncertainty in the underlying density functional theory calculations.« less
Learmonth, Yvonne C; Motl, Robert W; Sandroff, Brian M; Pula, John H; Cadavid, Diego
2013-04-25
The Patient Determined Disease Steps (PDDS) is a promising patient-reported outcome (PRO) of disability in multiple sclerosis (MS). To date, there is limited evidence regarding the validity of PDDS scores, despite its sound conceptual development and broad inclusion in MS research. This study examined the validity of the PDDS based on (1) the association with Expanded Disability Status Scale (EDSS) scores and (2) the pattern of associations between PDDS and EDSS scores with Functional System (FS) scores as well as ambulatory and other outcomes. 96 persons with MS provided demographic/clinical information, completed the PDDS and other PROs including the Multiple Sclerosis Walking Scale-12 (MSWS-12), and underwent a neurological examination for generating FS and EDSS scores. Participants completed assessments of cognition, ambulation including the 6-minute walk (6 MW), and wore an accelerometer during waking hours over seven days. There was a strong correlation between EDSS and PDDS scores (ρ = .783). PDDS and EDSS scores were strongly correlated with Pyramidal (ρ = .578 &ρ = .647, respectively) and Cerebellar (ρ = .501 &ρ = .528, respectively) FS scores as well as 6 MW distance (ρ = .704 &ρ = .805, respectively), MSWS-12 scores (ρ = .801 &ρ = .729, respectively), and accelerometer steps/day (ρ = -.740 &ρ = -.717, respectively). This study provides novel evidence supporting the PDDS as valid PRO of disability in MS.
A computational kinetic model of diffusion for molecular systems.
Teo, Ivan; Schulten, Klaus
2013-09-28
Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10-100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS.
The Tunneling Method for Global Optimization in Multidimensional Scaling.
ERIC Educational Resources Information Center
Groenen, Patrick J. F.; Heiser, Willem J.
1996-01-01
A tunneling method for global minimization in multidimensional scaling is introduced and adjusted for multidimensional scaling with general Minkowski distances. The method alternates a local search step with a tunneling step in which a different configuration is sought with the same STRESS implementation. (SLD)
Brito, Maíra M; Lúcio, Cristina F; Angrimani, Daniel S R; Losano, João Diego A; Dalmazzo, Andressa; Nichi, Marcílio; Vannucchi, Camila I
2017-01-02
In addition to the existence of several cryopreservation protocols, no systematic research has been carried out in order to confirm the suitable protocol for canine sperm. This study aims to assess the effect of adding 5% glycerol during cryopreservation at 37°C (one-step) and 5°C (two-steps), in addition of testing two thawing protocols (37°C for 30 seconds, and 70°C for 8 seconds). We used 12 sperm samples divided into four experimental groups: Single-Step - Slow Thawing Group; Two-Step - Slow Thawing Group; Single-Step - Fast Thawing Group; and Two-Step - Fast Thawing Group. Frozen-thawed samples were submitted to automated analysis of sperm motility, evaluation of plasmatic membrane integrity, acrosomal integrity, mitochondrial activity, sperm morphology, sperm susceptibility to oxidative stress, and sperm binding assay to perivitellinic membrane of chicken egg yolk. Considering the comparison between freezing protocols, no statistical differences were verified for any of the response variables. When comparison between thawing protocols was performed, slow thawing protocol presented higher sperm count bound to perivitelline membrane of chicken egg yolk, compared to fast thawing protocol. Regardless of the freezing process, the slow thawing protocol can be recommended for the large scale cryopreservation of canine semen, since it shows a consistent better functional result.
Effects of coordination and manipulation therapy for patients with Parkinson disease.
Zhao, Mingming; Hu, Caiyou; Wu, Zhixin; Chen, Yu; Li, Zhengming; Zhang, Mingsheng
2017-09-01
To determine the effects of a new exercise training regimen, i.e. coordination and manipulation therapy (CMT), on motor, balance, and cardiac functions in patients with Parkinson disease (PD). We divided 36 PD patients into the CMT (n = 22) and control (n = 14) groups. The patients in the CMT group performed dry-land swimming (imitation of the breaststroke) and paraspinal muscle stretching for 30 min/workday for 1 year. The control subjects did not exercise regularly. The same medication regimen was maintained in both groups during the study. Clinical characteristics, Unified Parkinson's Disease Rating Scale (UPDRS) scores, Berg balance scale (BBS) scores, mechanical balance measurements, timed up and go (TUG) test, and left ventricular ejection fraction (LVEF) were compared at 0 (baseline), 6, and 12 months. Biochemical test results were compared at 0 and 12 months. The primary outcome was motor ability. The secondary outcome was cardiac function. In the CMT group, UPDRS scores significantly improved, TUG test time and step number significantly decreased, BBS scores significantly increased, and most mechanical balance measurements significantly improved after 1 year of regular exercise therapy (all p < 0.05). In the control group, UPDRS scores significantly deteriorated, TUG test time and step number significantly increased, BBS scores significantly decreased, and most mechanical balance measurements significantly worsened after 1 year (all P < 0.05). LVEF improved in the CMT group only (P = 0.01). This preliminary study suggests that CMT effectively improved mobility disorder, balance, and cardiac function in PD patients over a 1-year period.
Sebastião, Emerson; Sandroff, Brian M; Learmonth, Yvonne C; Motl, Robert W
2016-07-01
To examine the validity of the timed Up and Go (TUG) test as a measure of functional mobility in persons with multiple sclerosis (MS) by using a comprehensive framework based on construct validity (ie, convergent and divergent validity). Cross-sectional study. Hospital setting. Community-residing persons with MS (N=47). Not applicable. Main outcome measures included the TUG test, timed 25-foot walk test, 6-minute walk test, Multiple Sclerosis Walking Scale-12, Late-Life Function and Disability Instrument, posturography evaluation, Activities-specific Balance Confidence scale, Symbol Digits Modalities Test, Expanded Disability Status Scale, and the number of steps taken per day. The TUG test was strongly associated with other valid outcome measures of ambulatory mobility (Spearman rank correlation, rs=.71-.90) and disability status (rs=.80), moderately to strongly associated with balance confidence (rs=.66), and weakly associated with postural control (ie, balance) (rs=.31). The TUG test was moderately associated with cognitive processing speed (rs=.59), but not associated with other nonambulatory measures (ie, Late-Life Function and Disability Instrument-upper extremity function). Our findings support the validity of the TUG test as a measure of functional mobility. This warrants its inclusion in patients' assessment alongside other valid measures of functional mobility in both clinical and research practice in persons with MS. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.
Scaled Runge-Kutta algorithms for handling dense output
NASA Technical Reports Server (NTRS)
Horn, M. K.
1981-01-01
Low order Runge-Kutta algorithms are developed which determine the solution of a system of ordinary differential equations at any point within a given integration step, as well as at the end of each step. The scaled Runge-Kutta methods are designed to be used with existing Runge-Kutta formulas, using the derivative evaluations of these defining algorithms as the core of the system. For a slight increase in computing time, the solution may be generated within the integration step, improving the efficiency of the Runge-Kutta algorithms, since the step length need no longer be severely reduced to coincide with the desired output point. Scaled Runge-Kutta algorithms are presented for orders 3 through 5, along with accuracy comparisons between the defining algorithms and their scaled versions for a test problem.
Schwartz, C E; Vollmer, T; Lee, H
1999-01-01
To describe the results of a multicenter study that validated two new patient-reported measures of neurologic impairment and disability for use in MS clinical research. Self-reported data can provide a cost-effective means to assess patient functioning, and can be useful for screening patients who require additional evaluation. Thirteen MS centers from the United States and Canada implemented a cross-sectional validation study of two new measures of neurologic function. The Symptom Inventory is a measure of neurologic impairment with six subscales designed to correlate with localization of brain lesion. The Performance Scales measure disability in eight domains of function: mobility, hand function, vision, fatigue, cognition, bladder/bowel, sensory, and spasticity. Measures given for comparison included a neurologic examination (Expanded Disability Status Scale, Ambulation Index, Disease Steps) as well as the patient-reported Health Status Questionnaire and the Quality of Well-being Index. Participants included 274 MS patients and 296 healthy control subjects who were matched to patients on age, gender, and education. Both the Symptom Inventory and the Performance Scales showed high test-retest and internal consistency reliability. Correlational analyses supported the construct validity of both measures. Discriminant function analysis reduced the Symptom Inventory to 29 items without sacrificing reliability and increased its discriminant validity. The Performance Scales explained more variance in clinical outcomes and global quality of life than the Symptom Inventory, and there was some evidence that the two measures complemented each other in predicting Quality of Well-being Index scores. The Symptom Inventory and the Performance Scales are reliable and valid measures.
Kinesthetic taping improves walking function in patients with stroke: a pilot cohort study.
Boeskov, Birgitte; Carver, Line Tornehøj; von Essen-Leise, Anders; Henriksen, Marius
2014-01-01
Stroke is an important cause of severe disability and impaired motor function. Treatment modalities that improve motor function in patients with stroke are needed. The objective of this study was to investigate the effect of kinesthetic taping of the anterior thigh and knee on maximal walking speed and clinical indices of spasticity in patients with stroke. Thirty-two patients (9 women) receiving rehabilitation after stroke (average, 50 days since stroke) who had impaired walking ability were recruited. Primary outcome was maximal walking speed measured by the 10-meter walk test. Secondary outcomes were number of steps taken during the test and clinical signs of spasticity measured by the Tardieu Scale. Tests were conducted before and immediately after application of kinesthetic tape to the anterior thigh and knee of the paretic lower limb. After application of the tape, the maximal walking speed increased, on average, by 0.08 m/s (95% CI, 0.04 to 0.12; P < .0001). The number of steps taken during the test was significantly decreased by 1.4 steps (95% CI, -2.3 to -0.5; P < .0031). The Tardieu scores were not significantly changed by the tape intervention, although a trend was observed indicating a lesser degree of spasticity. The results of this study indicate that kinesthetic taping of the anterior thigh and knee provides an immediate improvement in walking function in patients with stroke. Such a positive effect on motor function could be a valuable adjunct in physical therapy and rehabilitation of patients with stroke.
RGO-coated elastic fibres as wearable strain sensors for full-scale detection of human motions
NASA Astrophysics Data System (ADS)
Mi, Qing; Wang, Qi; Zang, Siyao; Mao, Guoming; Zhang, Jinnan; Ren, Xiaomin
2018-01-01
In this study, we chose highly-elastic fabric fibres as the functional carrier and then simply coated the fibres with reduced graphene oxide (rGO) using plasma treatment, dip coating and hydrothermal reduction steps, finally making a wearable strain sensor. As a result, the full-scale detection of human motions, ranging from bending joints to the pulse beat, has been achieved by these sensors. Moreover, high sensitivity, good stability and excellent repeatability were realized. The good sensing performances and economical fabrication process of this wearable strain sensor have strengthened our confidence in practical applications in smart clothing, smart fabrics, healthcare, and entertainment fields.
ERIC Educational Resources Information Center
Yurdakul, Isil Kabakci; Odabasi, Hatice Ferhan; Kilicer, Kerem; Coklar, Ahmet Naci; Birinci, Gurkay; Kurt, Adile Askim
2012-01-01
The purpose of this study is to develop a TPACK (technological pedagogical content knowledge) scale based on the centered component of TPACK framework in order to measure preservice teachers' TPACK. A systematic and step-by-step approach was followed for the development of the scale. The validity and reliability studies of the scale were carried…
Comparison of Penalty Functions for Sparse Canonical Correlation Analysis
Chalise, Prabhakar; Fridley, Brooke L.
2011-01-01
Canonical correlation analysis (CCA) is a widely used multivariate method for assessing the association between two sets of variables. However, when the number of variables far exceeds the number of subjects, such in the case of large-scale genomic studies, the traditional CCA method is not appropriate. In addition, when the variables are highly correlated the sample covariance matrices become unstable or undefined. To overcome these two issues, sparse canonical correlation analysis (SCCA) for multiple data sets has been proposed using a Lasso type of penalty. However, these methods do not have direct control over sparsity of solution. An additional step that uses Bayesian Information Criterion (BIC) has also been suggested to further filter out unimportant features. In this paper, a comparison of four penalty functions (Lasso, Elastic-net, SCAD and Hard-threshold) for SCCA with and without the BIC filtering step have been carried out using both real and simulated genotypic and mRNA expression data. This study indicates that the SCAD penalty with BIC filter would be a preferable penalty function for application of SCCA to genomic data. PMID:21984855
Dorian, Paul; Cvitkovic, Suzan S; Kerr, Charles R; Crystal, Eugene; Gillis, Anne M; Guerra, Peter G; Mitchell, L Brent; Roy, Denis; Skanes, Allan C; Wyse, D George
2006-04-01
The severity of symptoms caused by atrial fibrillation (AF) is extremely variable. Quantifying the effect of AF on patient well-being is important but there is no simple, commonly accepted measure of the effect of AF on quality of life (QoL). Current QoL measures are cumbersome and impractical for clinical use. To create a simple, concise and readily usable AF severity score to facilitate treatment decisions and physician communication. The Canadian Cardiovascular Society (CCS) Severity of Atrial Fibrillation (SAF) Scale is analogous to the CCS Angina Functional Class. The CCS-SAF score is determined using three steps: documentation of possible AF-related symptoms (palpitations, dyspnea, dizziness/syncope, chest pain, weakness/fatigue); determination of symptom-rhythm correlation; and assessment of the effect of these symptoms on patient daily function and QoL. CCS-SAF scores range from 0 (asymptomatic) to 4 (severe impact of symptoms on QoL and activities of daily living). Patients are also categorized by type of AF (paroxysmal versus persistent/permanent). The CCS-SAF Scale will be validated using accepted measures of patient-perceived severity of symptoms and impairment of QoL and will require 'field testing' to ensure its applicability and reproducibility in the clinical setting. This type of symptom severity scale, like the New York Heart Association Functional Class for heart failure symptoms and the CCS Functional Class for angina symptoms, trades precision and comprehensiveness for simplicity and ease of use at the bedside. A common language to quantify AF severity may help to improve patient care.
Dirè, Sandra; Bottone, Davide; Callone, Emanuela; Maniglio, Devid; Génois, Isabelle; Ribot, François
2017-08-08
The hydrolysis-condensation of trialkoxysilanes under strictly controlled conditions allows the production of silsesquioxanes (SSQs) with tunable size and architecture ranging from ladder to cage-like structures. These nano-objects can serve as building blocks for the preparation of hybrid organic/inorganic materials with selected properties. The SSQs growth can be tuned by simply controlling the reaction duration in the in situ water production route (ISWP), where the kinetics of the esterification reaction between carboxylic acids and alcohols rules out the extent of organosilane hydrolysis-condensation. Tunable SSQs with thiol functionalities (SH-NBBs) are suitable for further modification by exploiting the simple thiol-ene click reaction, thus allowing for modifying the wettability properties of derived coatings. In this paper, coatings were prepared from SH-NBBs with different architecture onto cotton fabrics and paper, and further functionalized with long alkyl chains by means of initiator-free UV-induced thiol-ene coupling with 1-decene (C10) and 1-tetradecene (C14). The coatings appeared to homogeneously cover the natural fibers and imparted a multi-scale roughness that was not affected by the click functionalization step. The two-step functionalization of cotton and paper warrants a stable highly hydrophobic character to the surface of natural materials that, in perspective, suggests a possible application in filtration devices for oil-water separation. Furthermore, the purification of SH-NBBs from ISWP by-products was possible during the coating process, and this step allowed for the fast, initiator-free, click-coupling of purified NBBs with C10 and C14 in solution with a nearly quantitative yield. Therefore, this approach is an alternative route to get sol-gel-derived, ladder-like, and cage-like SSQs functionalized with long alkyl chains.
Effects of neutron irradiation on pinning force scaling in state-of-the-art Nb3Sn wires
NASA Astrophysics Data System (ADS)
Baumgartner, T.; Eisterer, M.; Weber, H. W.; Flükiger, R.; Scheuerlein, C.; Bottura, L.
2014-01-01
We present an extensive irradiation study involving five state-of-the-art Nb3Sn wires which were subjected to sequential neutron irradiation up to a fast neutron fluence of 1.6 × 1022 m-2 (E > 0.1 MeV). The volume pinning force of short wire samples was assessed in the temperature range from 4.2 to 15 K in applied fields of up to 7 T by means of SQUID magnetometry in the unirradiated state and after each irradiation step. Pinning force scaling computations revealed that the exponents in the pinning force function differ significantly from those expected for pure grain boundary pinning, and that fast neutron irradiation causes a substantial change in the functional dependence of the volume pinning force. A model is presented, which describes the pinning force function of irradiated wires using a two-component ansatz involving a point-pinning contribution stemming from radiation induced pinning centers. The dependence of this point-pinning contribution on fast neutron fluence appears to be a universal function for all examined wire types.
Using greenhouse gas fluxes to define soil functional types
DOE Office of Scientific and Technical Information (OSTI.GOV)
Petrakis, Sandra; Barba, Josep; Bond-Lamberty, Ben
Soils provide key ecosystem services and directly control ecosystem functions; thus, there is a need to define the reference state of soil functionality. Most common functional classifications of ecosystems are vegetation-centered and neglect soil characteristics and processes. We propose Soil Functional Types (SFTs) as a conceptual approach to represent and describe the functionality of soils based on characteristics of their greenhouse gas (GHG) flux dynamics. We used automated measurements of CO2, CH4 and N2O in a forested area to define SFTs following a simple statistical framework. This study supports the hypothesis that SFTs provide additional insights on the spatial variabilitymore » of soil functionality beyond information represented by commonly measured soil parameters (e.g., soil moisture, soil temperature, litter biomass). We discuss the implications of this framework at the plot-scale and the potential of this approach at larger scales. This approach is a first step to provide a framework to define SFTs, but a community effort is necessary to harmonize any global classification for soil functionality. A global application of the proposed SFT framework will only be possible if there is a community-wide effort to share data and create a global database of GHG emissions from soils.« less
Kim, Chang Kyu; Lee, Chi Ho; Lee, Seung-Bae; Oh, Jae-Wook
2013-01-01
Granulocyte-colony stimulating factor (G-CSF) is a pleiotropic cytokine that stimulates the development of committed hematopoietic progenitor cells and enhances the functional activity of mature cells. Here, we report a simplified method for fed-batch culture as well as the purification of recombinant human (rh) G-CSF. The new system for rhG-CSF purification was performed using not only temperature shift strategy without isopropyl-l-thio-β-d-galactoside (IPTG) induction but also the purification method by a single step of prep-HPLC after the pH precipitation of the refolded samples. Through these processes, the final cell density and overall yield of homogenous rhG-CSF were obtained 42.8 g as dry cell weights, 1.75 g as purified active proteins, from 1 L culture broth, respectively. The purity of rhG-CSF was finally 99% since the isoforms of rhG-CSF could be separated through the prep-HPLC step. The result of biological activity indicated that purified rhG-CSF has a similar profile to the World Health Organization (WHO) 2nd International Standard for G-CSF. Taken together, our results demonstrate that the simple purification through a single step of prep-HPLC may be valuable for the industrial-scale production of biologically active proteins. PMID:24224041
van Vliet, Rob; Hoang, Phu; Lord, Stephen; Gandevia, Simon; Delbaere, Kim
2015-01-01
Concern about falling can have devastating physical and psychological consequences in people with multiple sclerosis (MS). However, little is known about physical and cognitive determinants for increased concern about falling inthis group. To investigate direct and indirect relationships between MS severity and concern about falling using structural equation modelling (SEM). Two hundred and ten community-dwelling people (21-73 years) with MS Disease Steps 0-5 completed several physical, cognitive and psychological assessments. Concern about falling was assessed using the Falls Efficacy Scale-International. Concern about falling was significantly associated with MS Disease Step and also balance, muscle strength, disability, previous falls, and executive functioning. SEM revealed a strong direct path between MS Disease Step and concern about falling (r = 0.31, p < 0.01), as well as indirect paths explained by impaired physical ability (r = 0.25, p < 0.01) and reduced cognitive function (r = 0.13, p < 0.01). The final model explained 51% of the variance of concern about falling in people with MS and had an excellent goodness-of-fit. The relationship between MS severity and increased concern about falling was primarily mediated by reduced physical ability (especially if this resulted in disability and falls) and less so by executive functioning. This suggests people with MS have a realistic appraisal of their concern about falling.
NASA Astrophysics Data System (ADS)
Pan, Liang; Xu, Kun; Li, Qibing; Li, Jiequan
2016-12-01
For computational fluid dynamics (CFD), the generalized Riemann problem (GRP) solver and the second-order gas-kinetic scheme (GKS) provide a time-accurate flux function starting from a discontinuous piecewise linear flow distributions around a cell interface. With the adoption of time derivative of the flux function, a two-stage Lax-Wendroff-type (L-W for short) time stepping method has been recently proposed in the design of a fourth-order time accurate method for inviscid flow [21]. In this paper, based on the same time-stepping method and the second-order GKS flux function [42], a fourth-order gas-kinetic scheme is constructed for the Euler and Navier-Stokes (NS) equations. In comparison with the formal one-stage time-stepping third-order gas-kinetic solver [24], the current fourth-order method not only reduces the complexity of the flux function, but also improves the accuracy of the scheme. In terms of the computational cost, a two-dimensional third-order GKS flux function takes about six times of the computational time of a second-order GKS flux function. However, a fifth-order WENO reconstruction may take more than ten times of the computational cost of a second-order GKS flux function. Therefore, it is fully legitimate to develop a two-stage fourth order time accurate method (two reconstruction) instead of standard four stage fourth-order Runge-Kutta method (four reconstruction). Most importantly, the robustness of the fourth-order GKS is as good as the second-order one. In the current computational fluid dynamics (CFD) research, it is still a difficult problem to extend the higher-order Euler solver to the NS one due to the change of governing equations from hyperbolic to parabolic type and the initial interface discontinuity. This problem remains distinctively for the hypersonic viscous and heat conducting flow. The GKS is based on the kinetic equation with the hyperbolic transport and the relaxation source term. The time-dependent GKS flux function provides a dynamic process of evolution from the kinetic scale particle free transport to the hydrodynamic scale wave propagation, which provides the physics for the non-equilibrium numerical shock structure construction to the near equilibrium NS solution. As a result, with the implementation of the fifth-order WENO initial reconstruction, in the smooth region the current two-stage GKS provides an accuracy of O ((Δx) 5 ,(Δt) 4) for the Euler equations, and O ((Δx) 5 ,τ2 Δt) for the NS equations, where τ is the time between particle collisions. Many numerical tests, including difficult ones for the Navier-Stokes solvers, have been used to validate the current method. Perfect numerical solutions can be obtained from the high Reynolds number boundary layer to the hypersonic viscous heat conducting flow. Following the two-stage time-stepping framework, the third-order GKS flux function can be used as well to construct a fifth-order method with the usage of both first-order and second-order time derivatives of the flux function. The use of time-accurate flux function may have great advantages on the development of higher-order CFD methods.
A Concise Synthesis of ent-Cholesterol
Belani, Jitendra D.; Rychnovsky, Scott D.
2009-01-01
ent-Cholesterol was synthesized in 16 steps from commercially available (S)-citronellol. The overall yield for the synthesis was 2.0%. This route is amenable to gram scale preparation of ent-cholesterol. Isotopic incorporation near the end of the synthesis was achieved using labeled methyl iodide. This synthesis is the most practical to date, and it will make ent-cholesterol more readily available to use as a probe of the function and metabolism of cholesterol. PMID:18336043
Optimising mobility outcome measures in Huntington's disease.
Busse, Monica; Quinn, Lori; Khalil, Hanan; McEwan, Kirsten
2014-01-01
Many of the performance-based mobility measures that are currently used in Huntington's disease (HD) were developed for assessment in other neurological conditions such as stroke. We aimed to assess the individual item-response of commonly used performance-based mobility measures, with a view to optimizing the scales for specific application in Huntington's Disease (HD). Data from a larger multicentre, observational study were used. Seventy-five people with HD (11 pre-manifest & 64 manifest) were assessed on the Six-Minute Walk Test, 10-Meter Walk Test, Timed "Up & Go" Test (TUG), Berg Balance Scale (BBS), Physical Performance Test (PPT), Four Square Step Test, and Tinetti Mobility Test (TMT). The Unified Huntington's Disease Rating Scale (UHDRS) Total Motor Score, Functional Assessment Scale and Total Functional Capacity scores were recorded, alongside cognitive measures. Standard regression analysis was used to assess predictive validity. Individual item responses were investigated using a sequence of approaches to allow for gradual removal of items and the subsequent creation of shortened versions. Psychometric properties (reliability and discriminant ability) of the shortened scales were assessed. TUG (β 0.46, CI 0.20-3.47), BBS (β -0.35, CI -2.10-0.14), and TMT (β -0.45, CI -3.14-0.64) were good disease-specific mobility measures. PPT was the best measure of functional performance (β 0.42, CI 0.00-0.43 for TFC & β 0.57 CI 0.15-0.81 for FAS). Shortened versions of BBS and TMT were developed based on item analysis. The resultant BBS and TMT shortened scales were reliable for use in manifest HD. ROC analysis showed that shortened scales were able to discriminate between manifest and pre-manifest disease states. Our data suggests that the PPT is appropriate as a general measure of function in individuals with HD, and we have identified shortened versions of the BBS and TMT that measure the unique gait and balance impairments in HD. These scales, alongside the TUG, may therefore be important measures to consider in future clinical trials.
NASA Astrophysics Data System (ADS)
Yeo, I. Y.; Lang, M.; Lee, S.; Huang, C.; Jin, H.; McCarty, G.; Sadeghi, A.
2017-12-01
The wetland ecosystem plays crucial roles in improving hydrological function and ecological integrity for the downstream water and the surrounding landscape. However, changing behaviours and functioning of wetland ecosystems are poorly understood and extremely difficult to characterize. Improved understanding on hydrological behaviours of wetlands, considering their interaction with surrounding landscapes and impacts on downstream waters, is an essential first step toward closing the knowledge gap. We present an integrated wetland-catchment modelling study that capitalizes on recently developed inundation maps and other geospatial data. The aim of the data-model integration is to improve spatial prediction of wetland inundation and evaluate cumulative hydrological benefits at the catchment scale. In this paper, we highlight problems arising from data preparation, parameterization, and process representation in simulating wetlands within a distributed catchment model, and report the recent progress on mapping of wetland dynamics (i.e., inundation) using multiple remotely sensed data. We demonstrate the value of spatially explicit inundation information to develop site-specific wetland parameters and to evaluate model prediction at multi-spatial and temporal scales. This spatial data-model integrated framework is tested using Soil and Water Assessment Tool (SWAT) with improved wetland extension, and applied for an agricultural watershed in the Mid-Atlantic Coastal Plain, USA. This study illustrates necessity of spatially distributed information and a data integrated modelling approach to predict inundation of wetlands and hydrologic function at the local landscape scale, where monitoring and conservation decision making take place.
Wall and corner fire tests on selected wood products
H. C. Tran; M. L. Janssens
1991-01-01
As part of a fire growth program to develop and validate a compartment fire model, several bench-scale and full-scale tests were conducted. This paper reports the full-scale wall and corner test results of step 2 of this study. A room fire test following the ASTM proposed standard specifications was used for these full-scale tests. In step 1, we investigated the...
Development of a New ReadiStep™ Scale Linked to the PSAT/NMSQT® Scale. Research Report 2013-4
ERIC Educational Resources Information Center
Kim, YoungKoung; Hendrickson, Amy; Patel, Priyank; Melican, Gerald; Sweeney, Kevin
2013-01-01
The purpose of this report is to describe the procedure for revising the ReadiStep™ score scale using the field trial data, and to provide technical information about the development of the new ReadiStep scale score. In doing so, this report briefly introduces the three assessments--ReadiStep, PSAT/NMSQT®, and SAT®--in the College Board Pathway…
When Significant Others Suffer: German Validation of the Burden Assessment Scale (BAS)
Hunger, Christina; Krause, Lena; Hilzinger, Rebecca; Ditzen, Beate; Schweitzer, Jochen
2016-01-01
There is a need of an economical, reliable, and valid instrument in the German-speaking countries to measure the burden of relatives who care for mentally ill persons. We translated the Burden Assessment Scale (BAS) and conducted a study investigating factor structure, psychometric quality and predictive validity. We used confirmative factor analyses (CFA, maximum-likelihood method) to examine the dimensionality of the German BAS in a sample of 215 relatives (72% women; M = 32 years, SD = 14, range: 18 to 77; 39% employed) of mentally ill persons (50% (ex-)partner or (best) friend; M = 32 years, SD = 13, range 8 to 64; main complaints were depression and/or anxiety). Cronbach’s α determined the internal consistency. We examined predictive validity using regression analyses including the BAS and validated scales of social systems functioning (Experience In Social Systems Questionnaire, EXIS.pers, EXIS.org) and psychopathology (Brief Symptom Inventory, BSI). Variables that might have influenced the dependent variables (e.g. age, gender, education, employment and civil status) were controlled by their introduction in the first step, and the BAS in the second step of the regression analyses. A model with four correlated factors (Disrupted Activities, Personal Distress, Time Perspective, Guilt) showed the best fit. With respect to the number of items included, the internal consistency was very good. The modified German BAS predicted relatives’ social systems functioning and psychopathology. The economical design makes the 19-item BAS promising for practice-oriented research, and for studies under time constraints. Strength, limitations and future directions are discussed. PMID:27764109
New clinical grading scales and objective measurement for conjunctival injection.
Park, In Ki; Chun, Yeoun Sook; Kim, Kwang Gi; Yang, Hee Kyung; Hwang, Jeong-Min
2013-08-05
To establish a new clinical grading scale and objective measurement method to evaluate conjunctival injection. Photographs of conjunctival injection with variable ocular diseases in 429 eyes were reviewed. Seventy-three images with concordance by three ophthalmologists were classified into a 4-step and 10-step subjective grading scale, and used as standard photographs. Each image was quantified in four ways: the relative magnitude of the redness component of each red-green-blue (RGB) pixel; two different algorithms based on the occupied area by blood vessels (K-means clustering with LAB color model and contrast-limited adaptive histogram equalization [CLAHE] algorithm); and the presence of blood vessel edges, based on the Canny edge-detection algorithm. Area under the receiver operating characteristic curves (AUCs) were calculated to summarize diagnostic accuracies of the four algorithms. The RGB color model, K-means clustering with LAB color model, and CLAHE algorithm showed good correlation with the clinical 10-step grading scale (R = 0.741, 0.784, 0.919, respectively) and with the clinical 4-step grading scale (R = 0.645, 0.702, 0.838, respectively). The CLAHE method showed the largest AUC, best distinction power (P < 0.001, ANOVA, Bonferroni multiple comparison test), and high reproducibility (R = 0.996). CLAHE algorithm showed the best correlation with the 10-step and 4-step subjective clinical grading scales together with high distinction power and reproducibility. CLAHE algorithm can be a useful for method for assessment of conjunctival injection.
Downscaling scheme to drive soil-vegetation-atmosphere transfer models
NASA Astrophysics Data System (ADS)
Schomburg, Annika; Venema, Victor; Lindau, Ralf; Ament, Felix; Simmer, Clemens
2010-05-01
The earth's surface is characterized by heterogeneity at a broad range of scales. Weather forecast models and climate models are not able to resolve this heterogeneity at the smaller scales. Many processes in the soil or at the surface, however, are highly nonlinear. This holds, for example, for evaporation processes, where stomata or aerodynamic resistances are nonlinear functions of the local micro-climate. Other examples are threshold dependent processes, e.g., the generation of runoff or the melting of snow. It has been shown that using averaged parameters in the computation of these processes leads to errors and especially biases, due to the involved nonlinearities. Thus it is necessary to account for the sub-grid scale surface heterogeneities in atmospheric modeling. One approach to take the variability of the earth's surface into account is the mosaic approach. Here the soil-vegetation-atmosphere transfer (SVAT) model is run on an explicit higher resolution than the atmospheric part of a coupled model, which is feasible due to generally lower computational costs of a SVAT model compared to the atmospheric part. The question arises how to deal with the scale differences at the interface between the two resolutions. Usually the assumption of a homogeneous forcing for all sub-pixels is made. However, over a heterogeneous surface, usually the boundary layer is also heterogeneous. Thus, by assuming a constant atmospheric forcing again biases in the turbulent heat fluxes may occur due to neglected atmospheric forcing variability. Therefore we have developed and tested a downscaling scheme to disaggregate the atmospheric variables of the lower atmosphere that are used as input to force a SVAT model. Our downscaling scheme consists of three steps: 1) a bi-quadratic spline interpolation of the coarse-resolution field; 2) a "deterministic" part, where relationships between surface and near-surface variables are exploited; and 3) a noise-generation step, in which the still missing, not explained, variance is added as noise. The scheme has been developed and tested based on high-resolution (400 m) model output of the weather forecast (and regional climate) COSMO model. Downscaling steps 1 and 2 reduce the error made by the homogeneous assumption considerably, whereas the third step leads to close agreement of the sub-grid scale variance with the reference. This is, however, achieved at the cost of higher root mean square errors. Thus, before applying the downscaling system to atmospheric data a decision should be made whether the lowest possible errors (apply only downscaling step 1 and 2) or a most realistic sub-grid scale variability (apply also step 3) is desired. This downscaling scheme is currently being implemented into the COSMO model, where it will be used in combination with the mosaic approach. However, this downscaling scheme can also be applied to drive stand-alone SVAT models or hydrological models, which usually also need high-resolution atmospheric forcing data.
paraGSEA: a scalable approach for large-scale gene expression profiling
Peng, Shaoliang; Yang, Shunyun
2017-01-01
Abstract More studies have been conducted using gene expression similarity to identify functional connections among genes, diseases and drugs. Gene Set Enrichment Analysis (GSEA) is a powerful analytical method for interpreting gene expression data. However, due to its enormous computational overhead in the estimation of significance level step and multiple hypothesis testing step, the computation scalability and efficiency are poor on large-scale datasets. We proposed paraGSEA for efficient large-scale transcriptome data analysis. By optimization, the overall time complexity of paraGSEA is reduced from O(mn) to O(m+n), where m is the length of the gene sets and n is the length of the gene expression profiles, which contributes more than 100-fold increase in performance compared with other popular GSEA implementations such as GSEA-P, SAM-GS and GSEA2. By further parallelization, a near-linear speed-up is gained on both workstations and clusters in an efficient manner with high scalability and performance on large-scale datasets. The analysis time of whole LINCS phase I dataset (GSE92742) was reduced to nearly half hour on a 1000 node cluster on Tianhe-2, or within 120 hours on a 96-core workstation. The source code of paraGSEA is licensed under the GPLv3 and available at http://github.com/ysycloud/paraGSEA. PMID:28973463
Gannotti, Mary E; Law, Mary; Bailes, Amy F; OʼNeil, Margaret E; Williams, Uzma; DiRezze, Briano
2016-01-01
A step toward advancing research about rehabilitation service associated with positive outcomes for children with cerebral palsy is consensus about a conceptual framework and measures. A Delphi process was used to establish consensus among clinicians and researchers in North America. Directors of large pediatric rehabilitation centers, clinicians from large hospitals, and researchers with expertise in outcomes participated (N = 18). Andersen's model of health care utilization framed outcomes: consumer satisfaction, activity, participation, quality of life, and pain. Measures agreed upon included Participation and Environment Measure for Children and Youth, Measure of Processes of Care, PEDI-CAT, KIDSCREEN-10, PROMIS Pediatric Pain Interference Scale, Visual Analog Scale for pain intensity, PROMIS Global Health Short Form, Family Environment Scale, Family Support Scale, and functional classification levels for gross motor, manual ability, and communication. Universal forms for documenting service use are needed. Findings inform clinicians and researchers concerned with outcome assessment.
Similarity of plant functional traits and aggregation pattern in a subtropical forest
Zhang, Bo; Lu, Xiaozhen; Jiang, Jiang; DeAngelis, Donald L.; Fu, Zhiyuan; Zhang, Jinchi
2017-01-01
The distribution of species and communities in relation to environmental heterogeneity is a central focus in ecology. Co-occurrence of species with similar functional traits is an indication that communities are determined in part by environmental filters. However, few studies have been designed to test how functional traits are selectively filtered by environmental conditions at local scales. Exploring the relationship between soil characteristics and plant traits is a step toward understanding the filtering hypothesis in determining plant distribution at local scale. Toward this end, we mapped all individual trees (diameter >1 cm) in a one-ha subtropical forest of China in 2007 and 2015. We measured topographic and detailed soil properties within the field site, as well as plant leaf functional traits and demographic rates of the seven most common tree species. A second one-ha study plot was established in 2015, to test and validate the general patterns that were drawn from first plot. We found that variation in species distribution at local scale can be explained by soil heterogeneity and plant functional traits. (From first plot). (1) Species dominant in habitats with high soil ammonium nitrogen and total phosphorus tended to have high specific leaf area (SLA) and relative growth rate (RGR). (2) Species dominant in low-fertility habitats tended to have high leaf dry matter content (LDMC), ratio of chlorophyll a and b (ratioab), and leaf thickness (LT). The hypothesis that functional traits are selected in part by environmental filters and determine plant distribution at local scale was confirmed by the data of the first plot and a second regional site showed similar species distribution patterns.
From random microstructures to representative volume elements
NASA Astrophysics Data System (ADS)
Zeman, J.; Šejnoha, M.
2007-06-01
A unified treatment of random microstructures proposed in this contribution opens the way to efficient solutions of large-scale real world problems. The paper introduces a notion of statistically equivalent periodic unit cell (SEPUC) that replaces in a computational step the actual complex geometries on an arbitrary scale. A SEPUC is constructed such that its morphology conforms with images of real microstructures. Here, the appreciated two-point probability function and the lineal path function are employed to classify, from the statistical point of view, the geometrical arrangement of various material systems. Examples of statistically equivalent unit cells constructed for a unidirectional fibre tow, a plain weave textile composite and an irregular-coursed masonry wall are given. A specific result promoting the applicability of the SEPUC as a tool for the derivation of homogenized effective properties that are subsequently used in an independent macroscopic analysis is also presented.
NASA Astrophysics Data System (ADS)
Lee, Yujin; You, Eun-Ah; Ha, Young-Geun
2018-07-01
Despite the considerable demand for bioinspired superhydrophobic surfaces with highly transparent, self-cleaning, and self-healable properties, a facile and scalable fabrication method for multifunctional superhydrophobic films with strong chemical networks has rarely been established. Here, we report a rationally designed facile one-step construction of covalently networked, transparent, self-cleaning, and self-healable superhydrophobic films via a one-step preparation and single-reaction process of multi-components. As coating materials for achieving the one-step fabrication of multifunctional superhydrophobic films, we included two different sizes of Al2O3 nanoparticles for hierarchical micro/nano dual-scale structures and transparent films, fluoroalkylsilane for both low surface energy and covalent binding functions, and aluminum nitrate for aluminum oxide networked films. On the basis of stability tests for the robust film composition, the optimized, covalently linked superhydrophobic composite films with a high water contact angle (>160°) and low sliding angle (<1°) showed excellent thermal stability (up to 400 °C), transparency (≈80%), self-healing, self-cleaning, and waterproof abilities. Therefore, the rationally designed, covalently networked superhydrophobic composite films, fabricated via a one-step solution-based process, can be further utilized for various optical and optoelectronic applications.
The Pearson walk with shrinking steps in two dimensions
NASA Astrophysics Data System (ADS)
Serino, C. A.; Redner, S.
2010-01-01
We study the shrinking Pearson random walk in two dimensions and greater, in which the direction of the Nth step is random and its length equals λN-1, with λ<1. As λ increases past a critical value λc, the endpoint distribution in two dimensions, P(r), changes from having a global maximum away from the origin to being peaked at the origin. The probability distribution for a single coordinate, P(x), undergoes a similar transition, but exhibits multiple maxima on a fine length scale for λ close to λc. We numerically determine P(r) and P(x) by applying a known algorithm that accurately inverts the exact Bessel function product form of the Fourier transform for the probability distributions.
A robust data scaling algorithm to improve classification accuracies in biomedical data.
Cao, Xi Hang; Stojkovic, Ivan; Obradovic, Zoran
2016-09-09
Machine learning models have been adapted in biomedical research and practice for knowledge discovery and decision support. While mainstream biomedical informatics research focuses on developing more accurate models, the importance of data preprocessing draws less attention. We propose the Generalized Logistic (GL) algorithm that scales data uniformly to an appropriate interval by learning a generalized logistic function to fit the empirical cumulative distribution function of the data. The GL algorithm is simple yet effective; it is intrinsically robust to outliers, so it is particularly suitable for diagnostic/classification models in clinical/medical applications where the number of samples is usually small; it scales the data in a nonlinear fashion, which leads to potential improvement in accuracy. To evaluate the effectiveness of the proposed algorithm, we conducted experiments on 16 binary classification tasks with different variable types and cover a wide range of applications. The resultant performance in terms of area under the receiver operation characteristic curve (AUROC) and percentage of correct classification showed that models learned using data scaled by the GL algorithm outperform the ones using data scaled by the Min-max and the Z-score algorithm, which are the most commonly used data scaling algorithms. The proposed GL algorithm is simple and effective. It is robust to outliers, so no additional denoising or outlier detection step is needed in data preprocessing. Empirical results also show models learned from data scaled by the GL algorithm have higher accuracy compared to the commonly used data scaling algorithms.
Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg
2017-05-09
A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.
The role of shock induced trailing-edge separation in limit cycle oscillations
NASA Technical Reports Server (NTRS)
Cunningham, Atlee M., Jr.
1989-01-01
The potential role of shock induced trailing edge separation (SITES) in limit cycle oscillations (LCO) was established. It was shown that the flip-flop characteristics of transition to and from SITES as well as its hysteresis could couple with wing modes with torsional motion and low damping. This connection led to the formulation of a very simple nonlinear math model using the linear equations of motion with a nonlinear step forcing function with hysteresis. A finite difference solution with time was developed and calculations were made for the F-111 TACT were used to determine the step forcing function due to SITES transition. Since no data were available for the hysteresis, a parameter study was conducted allowing the hysteresis effect to vary. Very small hysteresis effects, which were within expected bounds, were required to obtain reasonable response levels that essentially agreed with flight test results. Also in agreement with wind tunnel tests, LCO calculations for the 1/6 scale F-111 model showed that the model should have not experienced LCO.
A numerical solution method for acoustic radiation from axisymmetric bodies
NASA Technical Reports Server (NTRS)
Caruthers, John E.; Raviprakash, G. K.
1995-01-01
A new and very efficient numerical method for solving equations of the Helmholtz type is specialized for problems having axisymmetric geometry. It is then demonstrated by application to the classical problem of acoustic radiation from a vibrating piston set in a stationary infinite plane. The method utilizes 'Green's Function Discretization', to obtain an accurate resolution of the waves using only 2-3 points per wave. Locally valid free space Green's functions, used in the discretization step, are obtained by quadrature. Results are computed for a range of grid spacing/piston radius ratios at a frequency parameter, omega R/c(sub 0), of 2 pi. In this case, the minimum required grid resolution appears to be fixed by the need to resolve a step boundary condition at the piston edge rather than by the length scale imposed by the wave length of the acoustic radiation. It is also demonstrated that a local near-field radiation boundary procedure allows the domain to be truncated very near the radiating source with little effect on the solution.
Vesselness propagation: a fast interactive vessel segmentation method
NASA Astrophysics Data System (ADS)
Cai, Wenli; Dachille, Frank; Harris, Gordon J.; Yoshida, Hiroyuki
2006-03-01
With the rapid development of multi-detector computed tomography (MDCT), resulting in increasing temporal and spatial resolution of data sets, clinical use of computed tomographic angiography (CTA) is rapidly increasing. Analysis of vascular structures is much needed in CTA images; however, the basis of the analysis, vessel segmentation, can still be a challenging problem. In this paper, we present a fast interactive method for CTA vessel segmentation, called vesselness propagation. This method is a two-step procedure, with a pre-processing step and an interactive step. During the pre-processing step, a vesselness volume is computed by application of a CTA transfer function followed by a multi-scale Hessian filtering. At the interactive stage, the propagation is controlled interactively in terms of the priority of the vesselness. This method was used successfully in many CTA applications such as the carotid artery, coronary artery, and peripheral arteries. It takes less than one minute for a user to segment the entire vascular structure. Thus, the proposed method provides an effective way of obtaining an overview of vascular structures.
Nonperturbative β function of eight-flavor SU(3) gauge theory
NASA Astrophysics Data System (ADS)
Hasenfratz, Anna; Schaich, David; Veernala, Aarti
2015-06-01
We present a new lattice study of the discrete β function for SU(3) gauge theory with N f = 8 massless flavors of fermions in the fundamental representation. Using the gradient flow running coupling, and comparing two different nHYP-smeared staggered lattice actions, we calculate the 8-flavor step-scaling function at significantly stronger couplings than were previously accessible. Our continuum-extrapolated results for the discrete β function show no sign of an IR fixed point up to couplings of g 2 ≈ 14. At the same time, we find that the gradient flow coupling runs much more slowly than predicted by two-loop perturbation theory, reinforcing previous indications that the 8-flavor system possesses nontrivial strongly coupled IR dynamics with relevance to BSM phenomenology.
Hatzichristou, Dimitris; Kirana, Paraskevi-Sofia; Banner, Linda; Althof, Stanley E; Lonnee-Hoffmann, Risa A M; Dennerstein, Lorraine; Rosen, Raymond C
2016-08-01
A detailed sexual history is the cornerstone for all sexual problem assessments and sexual dysfunction diagnoses. Diagnostic evaluation is based on an in-depth sexual history, including sexual and gender identity and orientation, sexual activity and function, current level of sexual function, overall health and comorbidities, partner relationship and interpersonal factors, and the role of cultural and personal expectations and attitudes. To propose key steps in the diagnostic evaluation of sexual dysfunctions, with special focus on the use of symptom scales and questionnaires. Critical assessment of the current literature by the International Consultation on Sexual Medicine committee. A revised algorithm for the management of sexual dysfunctions, level of evidence, and recommendation for scales and questionnaires. The International Consultation on Sexual Medicine proposes an updated algorithm for diagnostic evaluation of sexual dysfunction in men and women, with specific recommendations for sexual history taking and diagnostic evaluation. Standardized scales, checklists, and validated questionnaires are additional adjuncts that should be used routinely in sexual problem evaluation. Scales developed for specific patient groups are included. Results of this evaluation are presented with recommendations for clinical and research uses. Defined principles, an algorithm and a range of scales may provide coherent and evidence based management for sexual dysfunctions. Copyright © 2016 International Society for Sexual Medicine. Published by Elsevier Inc. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dustin Popp; Zander Mausolff; Sedat Goluoglu
We are proposing to use the code, TDKENO, to model TREAT. TDKENO solves the time dependent, three dimensional Boltzmann transport equation with explicit representation of delayed neutrons. Instead of directly integrating this equation, the neutron flux is factored into two components – a rapidly varying amplitude equation and a slowly varying shape equation and each is solved separately on different time scales. The shape equation is solved using the 3D Monte Carlo transport code KENO, from Oak Ridge National Laboratory’s SCALE code package. Using the Monte Carlo method to solve the shape equation is still computationally intensive, but the operationmore » is only performed when needed. The amplitude equation is solved deterministically and frequently, so the solution gives an accurate time-dependent solution without having to repeatedly We have modified TDKENO to incorporate KENO-VI so that we may accurately represent the geometries within TREAT. This paper explains the motivation behind using generalized geometry, and provides the results of our modifications. TDKENO uses the Improved Quasi-Static method to accomplish this. In this method, the neutron flux is factored into two components. One component is a purely time-dependent and rapidly varying amplitude function, which is solved deterministically and very frequently (small time steps). The other is a slowly varying flux shape function that weakly depends on time and is only solved when needed (significantly larger time steps).« less
Scrivener, Katharine; Jones, Taryn; Schurr, Karl; Graham, Petra L; Dean, Catherine M
2015-04-01
In adults undergoing inpatient rehabilitation, does additional after-hours rehabilitation decrease length of stay and improve functional outcome, activities of daily living performance and physical activity? Systematic review with meta-analysis of randomised trials. Adults participating in an inpatient rehabilitation program. Additional rehabilitation provided after hours (evening or weekend). Function was measured with tests such as the Motor Assessment Scale, 10-m walk test, the Timed Up and Go test, and Berg Balance Scale. Performance on activities of daily living was measured with the Barthel index or the Functional Independence Measure. Length of stay was measured in days. Physical activity levels were measured as number of steps or time spent upright. Standardised mean differences (SMD) or mean differences (MD) were used to combine these outcomes. Adverse events were summarised using relative risks (RR). Study quality was assessed using PEDro scores. Seven trials were included in the review. All trials had strong methodological quality, scoring 8/10 on the PEDro scale. Among the measures of function, only balance showed a significant effect: the MD was 14 points better (95% CI 5 to 23) with additional after-hours rehabilitation on a 0-to-56-point scale. The improvement in activities of daily living performance with additional after-hours rehabilitation was of borderline statistical significance (SMD 0.10, 95% CI 0.00 to 0.21). Hospital length of stay did not differ significantly (MD -1.8 days, 95% CI -5.1 to 1.6). Those receiving additional rehabilitation had significantly higher step counts and spent significantly more time upright. Overall, the risk of adverse events was not increased by the provision of after-hours or weekend rehabilitation (RR 0.87, 95% CI 0.70 to 1.10). Additional after-hours rehabilitation can increase physical activity and may improve activities of daily living, but does not seem to affect the hospital length of stay. PROSPERO CRD42014007648. [Scrivener K, Jones T, Schurr K, Graham PL, Dean CM (2015) After-hours or weekend rehabilitation improves outcomes and increases physical activity but does not affect length of stay: a systematic review.Journal of Physiotherapy61: 61-67]. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.
Yang, Jie; Yin, Yingying; Zhang, Zuping; Long, Jun; Dong, Jian; Zhang, Yuqun; Xu, Zhi; Li, Lei; Liu, Jie; Yuan, Yonggui
2018-02-05
Major depressive disorder (MDD) is characterized by dysregulation of distributed structural and functional networks. It is now recognized that structural and functional networks are related at multiple temporal scales. The recent emergence of multimodal fusion methods has made it possible to comprehensively and systematically investigate brain networks and thereby provide essential information for influencing disease diagnosis and prognosis. However, such investigations are hampered by the inconsistent dimensionality features between structural and functional networks. Thus, a semi-multimodal fusion hierarchical feature reduction framework is proposed. Feature reduction is a vital procedure in classification that can be used to eliminate irrelevant and redundant information and thereby improve the accuracy of disease diagnosis. Our proposed framework primarily consists of two steps. The first step considers the connection distances in both structural and functional networks between MDD and healthy control (HC) groups. By adding a constraint based on sparsity regularization, the second step fully utilizes the inter-relationship between the two modalities. However, in contrast to conventional multi-modality multi-task methods, the structural networks were considered to play only a subsidiary role in feature reduction and were not included in the following classification. The proposed method achieved a classification accuracy, specificity, sensitivity, and area under the curve of 84.91%, 88.6%, 81.29%, and 0.91, respectively. Moreover, the frontal-limbic system contributed the most to disease diagnosis. Importantly, by taking full advantage of the complementary information from multimodal neuroimaging data, the selected consensus connections may be highly reliable biomarkers of MDD. Copyright © 2017 Elsevier B.V. All rights reserved.
Scale-setting, flavor dependence, and chiral symmetry restoration
Binosi, D; Roberts, Craig D.; Rodriguez-Quintero, J.
2017-06-13
Here, we determine the flavor dependence of the renormalization-group-invariant running interaction through judicious use of both unquenched Dyson-Schwinger equation and lattice results for QCD’s gauge-sector two-point functions. An important step is the introduction of a physical scale setting procedure that enables a realistic expression of the effect of different numbers of active quark flavours on the interaction. Using this running interaction in concert with a well constrained class of dressed–gluon-quark vertices, we estimate the critical number of active lighter-quarks above which dynamical chiral symmetry breaking becomes impossible: n cr f ≈ 9; and hence in whose neighborhood QCD is plausiblymore » a conformal theory.« less
Rocca, Corinne H.; Krishnan, Suneeta; Barrett, Geraldine; Wilson, Mark
2010-01-01
We evaluated the psychometric properties of the London Measure of Unplanned Pregnancy among Indian women using classical methods and Item Response Modeling. The scale exhibited good internal consistency and internal structure, with overall scores correlating well with each item’s response categories. Items performed similarly for pregnant and non-pregnant women, and scores decreased with increasing parity, providing evidence for validity. Analyses also detected limitations, including infrequent selection of middle response categories and some evidence of differential item functioning by parity. We conclude that the LMUP represents an improvement over existing measures but recommend steps for enhancing scale performance for this cultural context. PMID:21170147
Synthesis of Renewable meta-Xylylenediamine from Biomass-Derived Furfural.
Scodeller, Ivan; Mansouri, Samir; Morvan, Didier; Muller, Eric; de Oliveira Vigier, Karine; Wischert, Raphael; Jérôme, François
2018-04-30
We report the synthesis of biomass-derived functionalized aromatic chemicals from furfural, a building block nowadays available in large scale from low-cost biomass. The scientific strategy relies on a Diels-Alder/aromatization sequence. By controlling the rate of each step, it was possible to produce exclusively the meta aromatic isomer. In particular, through this route, we describe the synthesis of renewably sourced meta-xylylenediamine (MXD). Transposition of this work to other furfural-derived chemicals is also discussed and reveals that functionalized biomass-derived aromatics (benzaldehyde, benzylamine, etc.) can be potentially produced, according to this route. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Cell-free protein synthesis: applications in proteomics and biotechnology.
He, Mingyue
2008-01-01
Protein production is one of the key steps in biotechnology and functional proteomics. Expression of proteins in heterologous hosts (such as in E. coli) is generally lengthy and costly. Cell-free protein synthesis is thus emerging as an attractive alternative. In addition to the simplicity and speed for protein production, cell-free expression allows generation of functional proteins that are difficult to produce by in vivo systems. Recent exploitation of cell-free systems enables novel development of technologies for rapid discovery of proteins with desirable properties from very large libraries. This article reviews the recent development in cell-free systems and their application in the large scale protein analysis.
Overcoming the Law of the Hidden in Cyberinfrastructures.
Bucksch, Alexander; Das, Abhiram; Schneider, Hannah; Merchant, Nirav; Weitz, Joshua S
2017-02-01
Cyberinfrastructure projects (CIPs) are complex, integrated systems that require interaction and organization amongst user, developer, hardware, technical infrastructure, and funding resources. Nevertheless, CIP usability, functionality, and growth do not scale with the sum of these resources. Instead, growth and efficient usage of CIPs require access to 'hidden' resources. These include technical resources within CIPs as well as social and functional interactions among stakeholders. We identify approaches to overcome resource limitations following the conceptual basis of Liebig's Law of the Minimum. In so doing, we recommend practical steps towards efficient and scaleable resource use, taking the iPlant/CyVerse CIP as an example. Copyright © 2016 Elsevier Ltd. All rights reserved.
Pedroso, Renata Valle; Coelho, Flávia Gomes de Melo; Santos-Galduróz, Ruth Ferreira; Costa, José Luiz Riani; Gobbi, Sebastião; Stella, Florindo
2012-01-01
Elderly individuals with AD are more susceptible to falls, which might be associated with decrements in their executive functions and balance, among other things. We aimed to analyze the effects of a program of dual task physical activity on falls, executive functions and balance of elderly individuals with AD. We studied 21 elderly with probable AD, allocated to two groups: the training group (TG), with 10 elderly who participated in a program of dual task physical activity; and the control group (CG), with 11 elderly who were not engaged in regular practice of physical activity. The Clock Drawing Test (CDT) and the Frontal Assessment Battery (FAB) were used in the assessment of the executive functions, while the Berg Balance Scale (BBS) and the Timed Up-and-Go (TUG)-test evaluated balance. The number of falls was obtained by means of a questionnaire. We observed a better performance of the TG as regards balance and executive functions. Moreover, the lower the number of steps in the TUG scale, the higher the scores in the CDT, and in the FAB. The practice of regular physical activity with dual task seems to have contributed to the maintenance and improvement of the motor and cognitive functions of the elderly with AD. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.
Eric Benbow, M; Kimbirauskas, Ryan; McIntosh, Mollie D; Williamson, Heather; Quaye, Charles; Boakye, Daniel; Small, Pamela L C; Merritt, Richard W
2014-06-01
Buruli ulcer (BU) is an emerging, but neglected tropical disease, where there has been a reported association with disturbed aquatic habitats and proposed aquatic macroinvertebrate vectors such as biting Hemiptera. An initial step in understanding the potential role of macroinvertebrates in the ecology of BU is to better understand the entire community, not just one or two taxa, in relation to the pathogen, Mycobacterium ulcerans, at a large spatial scale. For the first time at a country-wide scale this research documents that M. ulcerans was frequently detected from environmental samples taken from BU endemic regions, but was not present in 30 waterbodies of a non-endemic region. There were significant differences in macroinvertebrate community structure and identified potential indicator taxa in relation to pathogen presence. These results suggest that specific macroinvertebrate taxa or functional metrics may potentially be used as aquatic biological indicators of M. ulcerans. Developing ecological indicators of this pathogen is a first step for understanding the disease ecology of BU and should assist future studies of transmission.
NASA Astrophysics Data System (ADS)
Hsu, C.-C.; Yang, K.; Tseng, W.-S.; Li, Yiliang; Li, Yilun; Tour, J. M.; Yeh, N.-C.
One of the main challenges in the fabrication of GNRs is achieving large-scale low-cost production with high quality. Current techniques, including lithography and unzipped carbon nanotubes, are not suitable for mass production. We have recently developed a single-step PECVD growth process of high-quality graphene sheets without any active heating. By adding some substituted aromatic as seeding molecules, we are able to rapidly grow GNRs vertically on various transition-metal substrates. The morphology and electrical properties of the GNRs are dependent on the growth parameters such as the growth time, gas flow and species of the seeding molecules. On the other hand, all GNRs exhibit strong infrared and optical absorption. From studies of the Raman spectra, scanning electron microscopic images, and x-ray/ultraviolet photoelectron spectra of these GNRs as functions of the growth parameters, we propose a model for the growth mechanism. Our findings suggest that our approach opens up a pathway to large-scale, inexpensive production of GNRs for applications to supercapacitors and solar cells. This work was supported by the Grubstake Award and NSF through IQIM at Caltech.
Improving measurement of injection drug risk behavior using item response theory.
Janulis, Patrick
2014-03-01
Recent research highlights the multiple steps to preparing and injecting drugs and the resultant viral threats faced by drug users. This research suggests that more sensitive measurement of injection drug HIV risk behavior is required. In addition, growing evidence suggests there are gender differences in injection risk behavior. However, the potential for differential item functioning between genders has not been explored. To explore item response theory as an improved measurement modeling technique that provides empirically justified scaling of injection risk behavior and to examine for potential gender-based differential item functioning. Data is used from three studies in the National Institute on Drug Abuse's Criminal Justice Drug Abuse Treatment Studies. A two-parameter item response theory model was used to scale injection risk behavior and logistic regression was used to examine for differential item functioning. Item fit statistics suggest that item response theory can be used to scale injection risk behavior and these models can provide more sensitive estimates of risk behavior. Additionally, gender-based differential item functioning is present in the current data. Improved measurement of injection risk behavior using item response theory should be encouraged as these models provide increased congruence between construct measurement and the complexity of injection-related HIV risk. Suggestions are made to further improve injection risk behavior measurement. Furthermore, results suggest direct comparisons of composite scores between males and females may be misleading and future work should account for differential item functioning before comparing levels of injection risk behavior.
Bonini, Sara; Maffia, Sara; Molatore, Katia; Sebastianelli, Luca; Zarucchi, Alessio; Matteri, Diana; Ercoli, Giuseppe; Maestri, Roberto
2016-01-01
Background and Objective Verticalization was reported to improve the level of arousal and awareness in patients with severe acquired brain injury (ABI) and to be safe in ICU. We evaluated the effectiveness of a very early stepping verticalization protocol on their functional and neurological outcome. Methods Consecutive patients with Vegetative State or Minimally Conscious State were enrolled in ICU on the third day after an ABI. They were randomized to undergo conventional physiotherapy alone or associated to fifteen 30-minute sessions of verticalization, using a tilt table with robotic stepping device. Once stabilized, patients were transferred to our Neurorehabilitation unit for an individualized treatment. Outcome measures (Glasgow Coma Scale, Coma Recovery Scale revised -CRSr-, Disability Rating Scale–DRS- and Levels of Cognitive Functioning) were assessed on the third day from the injury (T0), at ICU discharge (T1) and at Rehab discharge (T2). Between- and within-group comparisons were performed by the Mann-Whitney U test and Wilcoxon signed-rank test, respectively. Results Of the 40 patients enrolled, 31 completed the study without adverse events (15 in the verticalization group and 16 in the conventional physiotherapy). Early verticalization started 12.4±7.3 (mean±SD) days after ABI. The length of stay in ICU was longer for the verticalization group (38.8 ± 15.7 vs 25.1 ± 11.2 days, p = 0.01), while the total length of stay (ICU+Neurorehabilitation) was not significantly different (153.2 ± 59.6 vs 134.0 ± 61.0 days, p = 0.41). All outcome measures significantly improved in both groups after the overall period (T2 vs T0, p<0.001 all), as well as after ICU stay (T1 vs T0, p<0.004 all) and after Neurorehabilitation (T2 vs T1, p<0.004 all). The improvement was significantly better in the experimental group for CRSr (T2-T0 p = 0.033, T1-T0 p = 0.006) and (borderline) for DRS (T2-T0 p = 0.040, T1-T0 p = 0.058). Conclusions A stepping verticalization protocol, started since the acute stages, improves the short-term and long-term functional and neurological outcome of ABI patients. Trial Registration clinicaltrials.gov NCT02828371 PMID:27447483
Ezeugwu, Victor E; Manns, Patricia J
2017-09-01
The aim of this study was to describe accelerometer-derived sleep duration, sedentary behavior, physical activity, and quality of life and their association with demographic and clinical factors within the first month after inpatient stroke rehabilitation. Thirty people with stroke (mean ± standard deviation, age: 63.8 ± 12.3 years, time since stroke: 3.6 ± 1.1 months) wore an activPAL3 Micro accelerometer (PAL Technologies, Glasgow, Scotland) continuously for 7 days to measure whole-day activity behavior. The Stroke Impact Scale and the Functional Independence Measure were used to assess quality of life and function, respectively. Sleep duration ranged from 6.6 to 11.6 hours/day. Fifteen participants engaged in long sleep greater than 9 hours/day. Participants spent 74.8% of waking hours in sedentary behavior, 17.9% standing, and 7.3% stepping. Of stepping time, only a median of 1.1 (interquartile range: .3-5.8) minutes were spent walking at a moderate-to-vigorous intensity (≥100 steps/minute). The time spent sedentary, the stepping time, and the number of steps differed significantly by the hemiparetic side (P < .05), but not by sex or the type of stroke. There were moderate to strong correlations between the stepping time and the number of steps with gait speed (Spearman r = .49 and .61 respectively, P < .01). Correlations between accelerometer-derived variables and age, time since stroke, and cognition were not significant. People with stroke sleep for longer than the normal duration, spend about three quarters of their waking hours in sedentary behaviors, and engage in minimal walking following stroke rehabilitation. Our findings provide a rationale for the development of behavior change strategies after stroke. Copyright © 2017 National Stroke Association. Published by Elsevier Inc. All rights reserved.
Efficiency and flexibility using implicit methods within atmosphere dycores
NASA Astrophysics Data System (ADS)
Evans, K. J.; Archibald, R.; Norman, M. R.; Gardner, D. J.; Woodward, C. S.; Worley, P.; Taylor, M.
2016-12-01
A suite of explicit and implicit methods are evaluated for a range of configurations of the shallow water dynamical core within the spectral-element Community Atmosphere Model (CAM-SE) to explore their relative computational performance. The configurations are designed to explore the attributes of each method under different but relevant model usage scenarios including varied spectral order within an element, static regional refinement, and scaling to large problem sizes. The limitations and benefits of using explicit versus implicit, with different discretizations and parameters, are discussed in light of trade-offs such as MPI communication, memory, and inherent efficiency bottlenecks. For the regionally refined shallow water configurations, the implicit BDF2 method is about the same efficiency as an explicit Runge-Kutta method, without including a preconditioner. Performance of the implicit methods with the residual function executed on a GPU is also presented; there is speed up for the residual relative to a CPU, but overwhelming transfer costs motivate moving more of the solver to the device. Given the performance behavior of implicit methods within the shallow water dynamical core, the recommendation for future work using implicit solvers is conditional based on scale separation and the stiffness of the problem. The strong growth of linear iterations with increasing resolution or time step size is the main bottleneck to computational efficiency. Within the hydrostatic dynamical core, of CAM-SE, we present results utilizing approximate block factorization preconditioners implemented using the Trilinos library of solvers. They reduce the cost of linear system solves and improve parallel scalability. We provide a summary of the remaining efficiency considerations within the preconditioner and utilization of the GPU, as well as a discussion about the benefits of a time stepping method that provides converged and stable solutions for a much wider range of time step sizes. As more complex model components, for example new physics and aerosols, are connected in the model, having flexibility in the time stepping will enable more options for combining and resolving multiple scales of behavior.
C-mii: a tool for plant miRNA and target identification.
Numnark, Somrak; Mhuantong, Wuttichai; Ingsriswang, Supawadee; Wichadakul, Duangdao
2012-01-01
MicroRNAs (miRNAs) have been known to play an important role in several biological processes in both animals and plants. Although several tools for miRNA and target identification are available, the number of tools tailored towards plants is limited, and those that are available have specific functionality, lack graphical user interfaces, and restrict the number of input sequences. Large-scale computational identifications of miRNAs and/or targets of several plants have been also reported. Their methods, however, are only described as flow diagrams, which require programming skills and the understanding of input and output of the connected programs to reproduce. To overcome these limitations and programming complexities, we proposed C-mii as a ready-made software package for both plant miRNA and target identification. C-mii was designed and implemented based on established computational steps and criteria derived from previous literature with the following distinguishing features. First, software is easy to install with all-in-one programs and packaged databases. Second, it comes with graphical user interfaces (GUIs) for ease of use. Users can identify plant miRNAs and targets via step-by-step execution, explore the detailed results from each step, filter the results according to proposed constraints in plant miRNA and target biogenesis, and export sequences and structures of interest. Third, it supplies bird's eye views of the identification results with infographics and grouping information. Fourth, in terms of functionality, it extends the standard computational steps of miRNA target identification with miRNA-target folding and GO annotation. Fifth, it provides helper functions for the update of pre-installed databases and automatic recovery. Finally, it supports multi-project and multi-thread management. C-mii constitutes the first complete software package with graphical user interfaces enabling computational identification of both plant miRNA genes and miRNA targets. With the provided functionalities, it can help accelerate the study of plant miRNAs and targets, especially for small and medium plant molecular labs without bioinformaticians. C-mii is freely available at http://www.biotec.or.th/isl/c-mii for both Windows and Ubuntu Linux platforms.
C-mii: a tool for plant miRNA and target identification
2012-01-01
Background MicroRNAs (miRNAs) have been known to play an important role in several biological processes in both animals and plants. Although several tools for miRNA and target identification are available, the number of tools tailored towards plants is limited, and those that are available have specific functionality, lack graphical user interfaces, and restrict the number of input sequences. Large-scale computational identifications of miRNAs and/or targets of several plants have been also reported. Their methods, however, are only described as flow diagrams, which require programming skills and the understanding of input and output of the connected programs to reproduce. Results To overcome these limitations and programming complexities, we proposed C-mii as a ready-made software package for both plant miRNA and target identification. C-mii was designed and implemented based on established computational steps and criteria derived from previous literature with the following distinguishing features. First, software is easy to install with all-in-one programs and packaged databases. Second, it comes with graphical user interfaces (GUIs) for ease of use. Users can identify plant miRNAs and targets via step-by-step execution, explore the detailed results from each step, filter the results according to proposed constraints in plant miRNA and target biogenesis, and export sequences and structures of interest. Third, it supplies bird's eye views of the identification results with infographics and grouping information. Fourth, in terms of functionality, it extends the standard computational steps of miRNA target identification with miRNA-target folding and GO annotation. Fifth, it provides helper functions for the update of pre-installed databases and automatic recovery. Finally, it supports multi-project and multi-thread management. Conclusions C-mii constitutes the first complete software package with graphical user interfaces enabling computational identification of both plant miRNA genes and miRNA targets. With the provided functionalities, it can help accelerate the study of plant miRNAs and targets, especially for small and medium plant molecular labs without bioinformaticians. C-mii is freely available at http://www.biotec.or.th/isl/c-mii for both Windows and Ubuntu Linux platforms. PMID:23281648
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wolfrum, E.J.; Weaver, P.F.
Researchers at the National Renewable Energy Laboratory (NREL) have been investigating the use of model photosynthetic microorganisms that use sunlight and two-carbon organic substrates (e.g., ethanol, acetate) to produce biodegradable polyhydroxyalkanoate (PHA) copolymers as carbon storage compounds. Use of these biological PHAs in single-use plastics applications, followed by their post-consumer composting or anaerobic digestion, could impact petroleum consumption as well as the overloading of landfills. The large-scale production of PHA polymers by photosynthetic bacteria will require large-scale reactor systems utilizing either sunlight or artificial illumination. The first step in the scale-up process is to quantify the microbial growth rates andmore » the PHA production rates as a function of reaction conditions such as nutrient concentration, temperature, and light quality and intensity.« less
NASA Astrophysics Data System (ADS)
Campbell, B. D.; Higgins, S. R.
2008-12-01
Developing a method for bridging the gap between macroscopic and microscopic measurements of reaction kinetics at the mineral-water interface has important implications in geological and chemical fields. Investigating these reactions on the nanometer scale with SPM is often limited by image analysis and data extraction due to the large quantity of data usually obtained in SPM experiments. Here we present a computer algorithm for automated analysis of mineral-water interface reactions. This algorithm automates the analysis of sequential SPM images by identifying the kinetically active surface sites (i.e., step edges), and by tracking the displacement of these sites from image to image. The step edge positions in each image are readily identified and tracked through time by a standard edge detection algorithm followed by statistical analysis on the Hough Transform of the edge-mapped image. By quantifying this displacement as a function of time, the rate of step edge displacement is determined. Furthermore, the total edge length, also determined from analysis of the Hough Transform, combined with the computed step speed, yields the surface area normalized rate of the reaction. The algorithm was applied to a study of the spiral growth of the calcite(104) surface from supersaturated solutions, yielding results almost 20 times faster than performing this analysis by hand, with results being statistically similar for both analysis methods. This advance in analysis of kinetic data from SPM images will facilitate the building of experimental databases on the microscopic kinetics of mineral-water interface reactions.
Local gravity field modeling using spherical radial basis functions and a genetic algorithm
NASA Astrophysics Data System (ADS)
Mahbuby, Hany; Safari, Abdolreza; Foroughi, Ismael
2017-05-01
Spherical Radial Basis Functions (SRBFs) can express the local gravity field model of the Earth if they are parameterized optimally on or below the Bjerhammar sphere. This parameterization is generally defined as the shape of the base functions, their number, center locations, bandwidths, and scale coefficients. The number/location and bandwidths of the base functions are the most important parameters for accurately representing the gravity field; once they are determined, the scale coefficients can then be computed accordingly. In this study, the point-mass kernel, as the simplest shape of SRBFs, is chosen to evaluate the synthesized free-air gravity anomalies over the rough area in Auvergne and GNSS/Leveling points (synthetic height anomalies) are used to validate the results. A two-step automatic approach is proposed to determine the optimum distribution of the base functions. First, the location of the base functions and their bandwidths are found using the genetic algorithm; second, the conjugate gradient least squares method is employed to estimate the scale coefficients. The proposed methodology shows promising results. On the one hand, when using the genetic algorithm, the base functions do not need to be set to a regular grid and they can move according to the roughness of topography. In this way, the models meet the desired accuracy with a low number of base functions. On the other hand, the conjugate gradient method removes the bias between derived quasigeoid heights from the model and from the GNSS/leveling points; this means there is no need for a corrector surface. The numerical test on the area of interest revealed an RMS of 0.48 mGal for the differences between predicted and observed gravity anomalies, and a corresponding 9 cm for the differences in GNSS/leveling points.
Roux, Paul; Urbach, Mathieu; Fonteneau, Sandrine; Berna, Fabrice; Brunel, Lore; Capdevielle, Delphine; Chereau, Isabelle; Dubreucq, Julien; Faget-Agius, Catherine; Fond, Guillaume; Leignier, Sylvain; Perier, Claire-Cécile; Richieri, Raphaëlle; Schneider, Priscille; Schürhoff, Franck; Tronche, Anne-Marie; Yazbek, Hanan; Zinetti-Bertschy, Anna; Passerieux, Christine; Brunet-Gouet, Eric
2018-06-22
The functional outcome in schizophrenia spectrum disorders is affected by multiple factors such as cognitive performance and clinical symptoms. Psychiatric disability may be another important determinant of functional outcome. The purpose of this study was to test whether schizophrenia symptoms and psychiatric disability mediated the association between cognition and functioning. Between April 2013 and July 2017, we included 108 community-dwelling adults with stable schizophrenia spectrum disorder in a multicenter study. Psychiatric disability was assessed with the Evaluation of Cognitive Processes involved in Disability in Schizophrenia (ECPDS) scale by relatives of patients. ECPDS focused on the broad array of motivational, neurocognitive, sociocognitive, and metacognitive impairments that result in activity restrictions. We used a battery of tests to assess seven cognition domains (processing speed, attention/vigilance, working, verbal and visual memory, reasoning and problem solving, and executive functioning) and cross-sectional structural equation modeling (SEM) for the mediation analyses. We estimated the one-year temporal stability of ECPDS scores in 45 participants. The model provided showed good fit and explained 43.9% of the variance in functioning. The effect of neurocognition on functioning was fully mediated by symptoms (proportion mediated: 36.5%) and psychiatric disability (proportion mediated: 31.3%). The ECPDS score had acceptable one-year temporal stability. The ECPDS scale has satisfactory psychometric properties, and shows significant convergence with neurocognition and functioning, suggesting a role for this tool in the routine evaluation of cognitive remediation needs. Our model validates psychiatric disability as a crucial step from cognitive impairment to restricted participation in life situations. Copyright © 2018 Elsevier B.V. All rights reserved.
Improvement of CFD Methods for Modeling Full Scale Circulating Fluidized Bed Combustion Systems
NASA Astrophysics Data System (ADS)
Shah, Srujal; Klajny, Marcin; Myöhänen, Kari; Hyppänen, Timo
With the currently available methods of computational fluid dynamics (CFD), the task of simulating full scale circulating fluidized bed combustors is very challenging. In order to simulate the complex fluidization process, the size of calculation cells should be small and the calculation should be transient with small time step size. For full scale systems, these requirements lead to very large meshes and very long calculation times, so that the simulation in practice is difficult. This study investigates the requirements of cell size and the time step size for accurate simulations, and the filtering effects caused by coarser mesh and longer time step. A modeling study of a full scale CFB furnace is presented and the model results are compared with experimental data.
Purification and functional characterization of pancreatic insulin from camel (Camelus dromedarius).
Elamin, Babiker A; Al-Maleki, Abdulmajeed; Ismael, Mohammad A; Ayoub, Mohammed Akli
2014-12-01
Large-scale production of insulin still represents the key step in helping diabetic patients throughout the world. Many species and approaches have been used for the production of insulin. In this study, we purified and characterized for the first time pancreatic insulin from the Arabian camel (Camelus dromedarius) using a modified acid-alcohol extraction method. After extraction insulin was purified using a one-step gel filtration on a Sephadex G-50 column leading to a purification yield of 80 mg/kg (20%) of camel pancreas. The purity of camel insulin was assessed by SDS-PAGE and HPLC using insulin from human, bovine and porcine as standards. Molecular weight was determined for purified camel insulin as 5800 Daltons and its amino acid composition is similar to that known for other species. The functional characterization of purified crude camel insulin was demonstrated in vitro by positive competition by radioimmunoassay and in vivo showing camel insulin inducing acute hypoglycaemia in mice. Together, our study reports for the first time the successful purification of functional insulin from camel pancreas with similar properties compared to other insulin species. This is of great interest given that the camel represents considerable economic worth in many countries.
Purification and functional characterization of pancreatic insulin from camel (Camelus dromedarius)
Elamin, Babiker A.; Al-Maleki, Abdulmajeed; Ismael, Mohammad A.; Ayoub, Mohammed Akli
2014-01-01
Large-scale production of insulin still represents the key step in helping diabetic patients throughout the world. Many species and approaches have been used for the production of insulin. In this study, we purified and characterized for the first time pancreatic insulin from the Arabian camel (Camelus dromedarius) using a modified acid-alcohol extraction method. After extraction insulin was purified using a one-step gel filtration on a Sephadex G-50 column leading to a purification yield of 80 mg/kg (20%) of camel pancreas. The purity of camel insulin was assessed by SDS–PAGE and HPLC using insulin from human, bovine and porcine as standards. Molecular weight was determined for purified camel insulin as 5800 Daltons and its amino acid composition is similar to that known for other species. The functional characterization of purified crude camel insulin was demonstrated in vitro by positive competition by radioimmunoassay and in vivo showing camel insulin inducing acute hypoglycaemia in mice. Together, our study reports for the first time the successful purification of functional insulin from camel pancreas with similar properties compared to other insulin species. This is of great interest given that the camel represents considerable economic worth in many countries. PMID:25473366
Comparing two versions of the Karolinska Sleepiness Scale (KSS).
Miley, Anna Åkerstedt; Kecklund, Göran; Åkerstedt, Torbjörn
2016-01-01
The Karolinska Sleepiness Scale (KSS) is frequently used to study sleepiness in various contexts. However, it exists in two versions, one with labels on every other step (version A), and one with labels on every step (version B) on the 9-point scale. To date, there are no studies examining whether these versions can be used interchangeably. The two versions were here compared in a 24 hr wakefulness study of 12 adults. KSS ratings were obtained every hour, alternating version A and B. Results indicated that the two versions are highly correlated, do not have different response distributions on labeled and unlabeled steps, and that the distributions across all steps have a high level of correspondence (Kappa = 0.73). It was concluded that the two versions are quite similar.
NASA Astrophysics Data System (ADS)
Kum, Hyun; Seong, Han-Kyu; Lim, Wantae; Chun, Daemyung; Kim, Young-Il; Park, Youngsoo; Yoo, Geonwook
2017-01-01
We present a method of epitaxially growing thermodynamically stable gallium nitride (GaN) nanorods via metal-organic chemical vapor deposition (MOCVD) by invoking a two-step self-limited growth (TSSLG) mechanism. This allows for growth of nanorods with excellent geometrical uniformity with no visible extended defects over a 100 mm sapphire (Al2O3) wafer. An ex-situ study of the growth morphology as a function of growth time for the two self-limiting steps elucidate the growth dynamics, which show that formation of an Ehrlich-Schwoebel barrier and preferential growth in the c-plane direction governs the growth process. This process allows monolithic formation of dimensionally uniform nanowires on templates with varying filling matrix patterns for a variety of novel electronic and optoelectronic applications. A color tunable phosphor-free white light LED with a coaxial architecture is fabricated as a demonstration of the applicability of these nanorods grown by TSSLG.
Individual Colorimetric Observer Model
Asano, Yuta; Fairchild, Mark D.; Blondé, Laurent
2016-01-01
This study proposes a vision model for individual colorimetric observers. The proposed model can be beneficial in many color-critical applications such as color grading and soft proofing to assess ranges of color matches instead of a single average match. We extended the CIE 2006 physiological observer by adding eight additional physiological parameters to model individual color-normal observers. These eight parameters control lens pigment density, macular pigment density, optical densities of L-, M-, and S-cone photopigments, and λmax shifts of L-, M-, and S-cone photopigments. By identifying the variability of each physiological parameter, the model can simulate color matching functions among color-normal populations using Monte Carlo simulation. The variabilities of the eight parameters were identified through two steps. In the first step, extensive reviews of past studies were performed for each of the eight physiological parameters. In the second step, the obtained variabilities were scaled to fit a color matching dataset. The model was validated using three different datasets: traditional color matching, applied color matching, and Rayleigh matches. PMID:26862905
2013-01-01
Carbon nanotube (CNT) membranes allow the mimicking of natural ion channels for applications in drug delivery and chemical separation. Double-walled carbon nanotube membranes were simply functionalized with dye in a single step instead of the previous two-step functionalization. Non-faradic electrochemical impedance spectra indicated that the functionalized gatekeeper by single-step modification can be actuated to mimic the protein channel under bias. This functional chemistry was proven by a highly efficient ion rectification, wherein the highest experimental rectification factor of ferricyanide was up to 14.4. One-step functionalization by electrooxidation of amine provides a simple and promising functionalization chemistry for the application of CNT membranes. PMID:23758999
Wilkinson, M E; Quinn, P F; Barber, N J; Jonczyk, J
2014-01-15
Intense farming plays a key role in increasing local scale runoff and erosion rates, resulting in water quality issues and flooding problems. There is potential for agricultural management to become a major part of improved strategies for controlling runoff. Here, a Catchment Systems Engineering (CSE) approach has been explored to solve the above problem. CSE is an interventionist approach to altering the catchment scale runoff regime through the manipulation of hydrological flow pathways throughout the catchment. By targeting hydrological flow pathways at source, such as overland flow, field drain and ditch function, a significant component of the runoff generation can be managed in turn reducing soil nutrient losses. The Belford catchment (5.7 km(2)) is a catchment scale study for which a CSE approach has been used to tackle a number of environmental issues. A variety of Runoff Attenuation Features (RAFs) have been implemented throughout the catchment to address diffuse pollution and flooding issues. The RAFs include bunds disconnecting flow pathways, diversion structures in ditches to spill and store high flows, large wood debris structure within the channel, and riparian zone management. Here a framework for applying a CSE approach to the catchment is shown in a step by step guide to implementing mitigation measures in the Belford Burn catchment. The framework is based around engagement with catchment stakeholders and uses evidence arising from field science. Using the framework, the flooding issue has been addressed at the catchment scale by altering the runoff regime. Initial findings suggest that RAFs have functioned as designed to reduce/attenuate runoff locally. However, evidence suggested that some RAFs needed modification and new RAFs be created to address diffuse pollution issues during storm events. Initial findings from these modified RAFs are showing improvements in sediment trapping capacities and reductions in phosphorus, nitrate and suspended sediment losses during storm events. © 2013.
1988-08-01
functional area in which one of the brothers was clearly in charge was engineering. Nat was the Chief Engineer largely because John was blind from the age of...work pack- age that straddles a bulkhead during hot work on the bulkhead, knowing full well that later in time, zones that coincide with the...take the natural step of employing these concepts in large scale repair work. Decreasing work the Marine Industry always fans the flames of the age
Functional reasoning in diagnostic problem solving
NASA Technical Reports Server (NTRS)
Sticklen, Jon; Bond, W. E.; Stclair, D. C.
1988-01-01
This work is one facet of an integrated approach to diagnostic problem solving for aircraft and space systems currently under development. The authors are applying a method of modeling and reasoning about deep knowledge based on a functional viewpoint. The approach recognizes a level of device understanding which is intermediate between a compiled level of typical Expert Systems, and a deep level at which large-scale device behavior is derived from known properties of device structure and component behavior. At this intermediate functional level, a device is modeled in three steps. First, a component decomposition of the device is defined. Second, the functionality of each device/subdevice is abstractly identified. Third, the state sequences which implement each function are specified. Given a functional representation and a set of initial conditions, the functional reasoner acts as a consequence finder. The output of the consequence finder can be utilized in diagnostic problem solving. The paper also discussed ways in which this functional approach may find application in the aerospace field.
Postprocessing Algorithm for Driving Conventional Scanning Tunneling Microscope at Fast Scan Rates.
Zhang, Hao; Li, Xianqi; Chen, Yunmei; Park, Jewook; Li, An-Ping; Zhang, X-G
2017-01-01
We present an image postprocessing framework for Scanning Tunneling Microscope (STM) to reduce the strong spurious oscillations and scan line noise at fast scan rates and preserve the features, allowing an order of magnitude increase in the scan rate without upgrading the hardware. The proposed method consists of two steps for large scale images and four steps for atomic scale images. For large scale images, we first apply for each line an image registration method to align the forward and backward scans of the same line. In the second step we apply a "rubber band" model which is solved by a novel Constrained Adaptive and Iterative Filtering Algorithm (CIAFA). The numerical results on measurement from copper(111) surface indicate the processed images are comparable in accuracy to data obtained with a slow scan rate, but are free of the scan drift error commonly seen in slow scan data. For atomic scale images, an additional first step to remove line-by-line strong background fluctuations and a fourth step of replacing the postprocessed image by its ranking map as the final atomic resolution image are required. The resulting image restores the lattice image that is nearly undetectable in the original fast scan data.
NASA Technical Reports Server (NTRS)
Huang, Norden E. (Inventor)
2004-01-01
A computer implemented physical signal analysis method includes four basic steps and the associated presentation techniques of the results. The first step is a computer implemented Empirical Mode Decomposition that extracts a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform which produces a Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum. The third step filters the physical signal by combining a subset of the IMFs. In the fourth step, a curve may be fitted to the filtered signal which may not have been possible with the original, unfiltered signal.
NASA Technical Reports Server (NTRS)
Huang, Norden E. (Inventor)
2002-01-01
A computer implemented physical signal analysis method includes four basic steps and the associated presentation techniques of the results. The first step is a computer implemented Empirical Mode Decomposition that extracts a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform which produces a Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum. The third step filters the physical signal by combining a subset of the IMFs. In the fourth step, a curve may be fitted to the filtered signal which may not have been possible with the original, unfiltered signal.
Debast, Inge; Rossi, Gina; van Alphen, S P J
2018-04-01
The alternative model for personality disorders in the fifth edition of the Diagnostic and Statistical Manual of Mental Disorders ( DSM-5) is considered an important step toward a possibly better conceptualization of personality pathology in older adulthood, by the introduction of levels of personality functioning (Criterion A) and trait dimensions (Criterion B). Our main aim was to examine age-neutrality of the Short Form of the Severity Indices of Personality Problems (SIPP-SF; Criterion A) and Personality Inventory for DSM-5-Brief Form (PID-5-BF; Criterion B). Differential item functioning (DIF) analyses and more specifically the impact on scale level through differential test functioning (DTF) analyses made clear that the SIPP-SF was more age-neutral (6% DIF, only one of four domains showed DTF) than the PID-5-BF (25% DIF, all four tested domains had DTF) in a community sample of older and younger adults. Age differences in convergent validity also point in the direction of differences in underlying constructs. Concurrent and criterion validity in geriatric psychiatry inpatients suggest that both the SIPP-SF scales measuring levels of personality functioning (especially self-functioning) and the PID-5-BF might be useful screening measures in older adults despite age-neutrality not being confirmed.
NASA Astrophysics Data System (ADS)
Hofmockel, K. S.; Bach, E.; Williams, R.; Howe, A.
2014-12-01
Identifying the microbial metabolic pathways that most strongly influence ecosystem carbon (C) cycling requires a deeper understanding of the availability and accessibility of microbial substrates. A first step towards this goal is characterizing the relationships between microbial community function and soil C chemistry in a field context. For this perspective, soil aggregate fractions can be used as model systems that scale between microbe-substrate interactions and ecosystem C cycling and storage. The present study addresses how physicochemical variation among soil aggregate fractions influences the composition and functional potential of C cycling microbial communities. We report variation across soil aggregates using plot scale biological replicates from biofuel agroecosystems (fertilized, reconstructed, tallgrass prairie). Our results suggest that C and nitrogen (N) chemistry significantly differ among aggregate fractions. This leads to variation in microbial community composition, which was better characterized among aggregates than by using the whole soil. In fact by considering soil aggregation, we were able to characterize almost 2000 more taxa than whole soil alone, resulting in 65% greater community richness. Availability of C and N strongly influenced the composition of microbial communities among soil aggregate fractions. The normalized abundance of microbial functional guilds among aggregate fractions correlated with C and N chemistry, as did functional potential, measured by extracellular enzyme activity. Metagenomic results suggest that soil aggregate fractions select for functionally distinct microbial communities, which may significantly influence decomposition and soil C storage. Our study provides support for the premise that integration of soil aggregate chemistry, especially microaggregates that have greater microbial richness and occur at spatial scales relevant to microbial community functioning, may be necessary to understand the role of microbial communities on terrestrial C and N cycling.
Universality of (2+1)-dimensional restricted solid-on-solid models
NASA Astrophysics Data System (ADS)
Kelling, Jeffrey; Ódor, Géza; Gemming, Sibylle
2016-08-01
Extensive dynamical simulations of restricted solid-on-solid models in D =2 +1 dimensions have been done using parallel multisurface algorithms implemented on graphics cards. Numerical evidence is presented that these models exhibit Kardar-Parisi-Zhang surface growth scaling, irrespective of the step heights N . We show that by increasing N the corrections to scaling increase, thus smaller step-sized models describe better the asymptotic, long-wave-scaling behavior.
NASA Astrophysics Data System (ADS)
Fujisawa, Mariko; Kanamaru, Hideki
2016-04-01
Agriculture is vulnerable to environmental changes, and climate change has been recognized as one of the most devastating factors. In many developing countries, however, few studies have focused on nation-wide assessment of crop yield and crop suitability in the future, and hence there is a large pressure on science to provide policy makers with solid predictions for major crops in the countries in support of climate risk management policies and programmes. FAO has developed the tool MOSAICC (Modelling System for Agricultural Impacts of Climate Change) where statistical climate downscaling is combined with crop yield projections under climate change scenarios. Three steps are required to get the results: 1. The historical meteorological data such as temperature and precipitation for about 30 years were collected, and future climates were statistically downscaled to the local scale, 2. The historical crop yield data were collected and regression functions were made to estimate the yield by using observed climatic data and water balance during the growing period for each crop, and 3. The yield changes in the future were estimated by using the future climate data, produced by the first step, as an input to the yield regression functions. The yield was first simulated at sub-national scale and aggregated to national scale, which is intended to provide national policies with adaptation options. The methodology considers future changes in characteristics of extreme weather events as the climate projections are on daily scale while crop simulations are on 10-daily scale. Yields were simulated with two greenhouse gas concentration pathways (RCPs) for three GCMs per crop to account for uncertainties in projections. The crop assessment constitutes a larger multi-disciplinary assessment of climate change impacts on agriculture and vulnerability of livelihoods in terms of food security (e.g. water resources, agriculture market, household-level food security from socio-economic perspective). In our presentation we will show the cases of Peru and the Philippines, and discuss the implications for agriculture policies and risk management.
Cross-cultural validation of the National Eye Institute Visual Function Questionnaire.
Mollazadegan, Kaziwe; Huang, Jinhai; Khadka, Jyoti; Wang, Qinmei; Yang, Feng; Gao, Rongrong; Pesudovs, Konrad
2014-05-01
To assess the native and the previously Rasch-modified National Eye Institute Visual Function Questionnaire (NEI VFQ) scales in a Chinese population. Eye Hospital of Wenzhou Medical University, Wenzhou, China. Questionnaire development. Patients on the waiting list for cataract surgery completed the 39-item NEI VFQ (NEI VFQ-39). Rasch analysis was performed in 3 steps as follows: (1) Assess the psychometric properties of the original NEI VFQ. (2) Reassess the previously proposed Rasch-modified NEI VFQ scales by Pesudovs et al. (2010) in Chinese populations. (3) Compare the scores of previously recommended scales of the NEI VFQ with new Rasch-modified scales of the same questionnaire using Bland-Altman plots. Four hundred thirty-five patients (median age 70 years; range 35 to 90 years) completed the NEI VFQ-39. Response categories for 4 question types were dysfunctional and therefore repaired. The original NEI VFQ-39 and NEI VFQ-25 showed good measurement precision. However, both versions showed multidimensionality, misfitting items, suboptimum targeting, and nonfunctioning subscales. Using the previously proposed Rasch-modified scales of the NEI VFQ yielded valid measurement of each construct in the 39-item and 25-item questionnaire. Comparison between the earlier proposed NEI VFQ scales and the new versions developed in this population showed good agreement. The original NEI VFQ was once again found to be flawed. The previously proposed Rasch-analyzed versions of the NEI VFQ and the new Chinese versions showed good agreement. Copyright © 2014 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Pressel, K. G.; Collins, W.; Desai, A. R.
2011-12-01
Deficiencies in the parameterization of boundary layer clouds in global climate models (GCMs) remains one of the greatest sources of uncertainty in climate change predictions. Many GCM cloud parameterizations, which seek to include some representation of subgrid-scale cloud variability, do so by making assumptions regarding the subgrid-scale spatial probability density function (PDF) of total water content. Properly specifying the form and parameters of the total water PDF is an essential step in the formulation of PDF based cloud parameterizations. In the cloud free boundary layer, the PDF of total water mixing ratio is equivalent to the PDF of water vapor mixing ratio. Understanding the PDF of water vapor mixing ratio in the cloud free atmosphere is a necessary step towards understanding the PDF of water vapor in the cloudy atmosphere. A primary challenge in empirically constraining the PDF of water vapor mixing ratio is a distinct lack of a spatially distributed observational dataset at or near cloud scale. However, at meso-beta (20-50km) and larger scales, there is a wealth of information on the spatial distribution of water vapor contained in the physically retrieved water vapor profiles from the Atmospheric Infrared Sounder onboard NASA`s Aqua satellite. The scaling (scale-invariance) of the observed water vapor field has been suggested as means of using observations at satellite observed (meso-beta) scales to derive information about cloud scale PDFs. However, doing so requires the derivation of a robust climatology of water vapor scaling from in-situ observations across the meso- gamma (2-20km) and meso-beta scales. In this work, we present the results of the scaling of high frequency (10Hz) time series of water vapor mixing ratio as observed from the 447m WLEF tower located near Park Falls, Wisconsin. Observations from a tall tower offer an ideal set of observations with which to investigate scaling at meso-gamma and meso-beta scales requiring only the assumption of Taylor`s Hypothesis to convert observed time scales to spatial scales. Furthermore, the WLEF tower holds an instrument suite offering a diverse set of variables at the 396m, 122m, and 30m levels with which to characterize the state of the boundary layer. Three methods are used to compute scaling exponents for the observed time series; poor man`s variance spectra, first order structure functions, and detrended fluctuation analysis. In each case scaling exponents are computed by linear regression. The results for each method are compared and used to build a climatology of scaling exponents. In particular, the results for June 2007 are presented, and it is shown that the scaling of water vapor time series at the 396m level is characterized by two regimes that are determined by the state of the boundary layer. Finally, the results are compared to, and shown to be roughly consistent with, scaling exponents computed from AIRS observations.
“Ultra-high resolution optical trap with single fluorophore sensitivity”
Comstock, Matthew J; Ha, Taekjip; Chemla, Yann R
2013-01-01
We present a single-molecule instrument that combines a timeshared ultra-high resolution dual optical trap interlaced with a confocal fluorescence microscope. In a demonstration experiment, individual single-fluorophore labeled DNA oligonucleotides were observed to bind and unbind to complementary DNA suspended between two trapped beads. Simultaneous with the single-fluorophore detection, coincident angstrom-scale changes in tether extension could be clearly observed. Fluorescence readout allowed us to determine the duplex melting rate as a function of force. The new instrument will enable the simultaneous measurement of angstrom-scale mechanical motion of individual DNA-binding proteins (e.g., single base pair stepping of DNA translocases) along with the detection of fluorescently labeled protein properties (e.g., internal configuration). PMID:21336286
NASA Astrophysics Data System (ADS)
Yano, Taka-aki; Hara, Masahiko
2018-06-01
Tip-enhanced Raman scattering microscopy, a family of scanning probe microscopy techniques, has been recognized as a powerful surface analytical technique with both single-molecule sensitivity and angstrom-scale spatial resolution. This review covers the current status of tip-enhanced Raman scattering microscopy in surface and material nanosciences, including a brief history, the basic principles, and applications for the nanoscale characterization of a variety of nanomaterials. The focus is on the recent trend of combining tip-enhanced Raman scattering microscopy with various external stimuli such as pressure, voltage, light, and temperature, which enables the local control of the molecular properties and functions and also enables chemical reactions to be induced on a nanometer scale.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Naughton, M.J.; Bourke, W.; Browning, G.L.
The convergence of spectral model numerical solutions of the global shallow-water equations is examined as a function of the time step and the spectral truncation. The contributions to the errors due to the spatial and temporal discretizations are separately identified and compared. Numerical convergence experiments are performed with the inviscid equations from smooth (Rossby-Haurwitz wave) and observed (R45 atmospheric analysis) initial conditions, and also with the diffusive shallow-water equations. Results are compared with the forced inviscid shallow-water equations case studied by Browning et al. Reduction of the time discretization error by the removal of fast waves from the solution usingmore » initialization is shown. The effects of forcing and diffusion on the convergence are discussed. Time truncation errors are found to dominate when a feature is large scale and well resolved; spatial truncation errors dominate for small-scale features and also for large scale after the small scales have affected them. Possible implications of these results for global atmospheric modeling are discussed. 31 refs., 14 figs., 4 tabs.« less
Analysis of reaction schemes using maximum rates of constituent steps
Motagamwala, Ali Hussain; Dumesic, James A.
2016-01-01
We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. This approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps. PMID:27162366
Analysis of reaction schemes using maximum rates of constituent steps
Motagamwala, Ali Hussain; Dumesic, James A.
2016-05-09
In this paper, we show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, r max,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of r max,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of r max,i can be used to predict themore » rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. Finally, this approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps.« less
NASA Astrophysics Data System (ADS)
Lam, Simon K. H.
2017-09-01
A promising direction to improve the sensitivity of a SQUID is to increase its junction's normal resistance value, Rn, as the SQUID modulation voltage scales linearly with Rn. As a first step to develop highly sensitive single layer SQUID, submicron scale YBCO grain boundary step edge junctions and SQUIDs with large Rn were fabricated and studied. The step-edge junctions were reduced to submicron scale to increase their Rn values using focus ion beam, FIB and the measurement of transport properties were performed from 4.3 to 77 K. The FIB induced deposition layer proves to be effective to minimize the Ga ion contamination during the FIB milling process. The critical current-normal resistance value of submicron junction at 4.3 K was found to be 1-3 mV, comparable to the value of the same type of junction in micron scale. The submicron junction Rn value is in the range of 35-100 Ω, resulting a large SQUID modulation voltage in a wide temperature range. This performance promotes further investigation of cryogen-free, high field sensitivity SQUID applications at medium low temperature, e.g. at 40-60 K.
Wu, Sheng; Li, Hong; Petzold, Linda R.
2015-01-01
The inhomogeneous stochastic simulation algorithm (ISSA) is a fundamental method for spatial stochastic simulation. However, when diffusion events occur more frequently than reaction events, simulating the diffusion events by ISSA is quite costly. To reduce this cost, we propose to use the time dependent propensity function in each step. In this way we can avoid simulating individual diffusion events, and use the time interval between two adjacent reaction events as the simulation stepsize. We demonstrate that the new algorithm can achieve orders of magnitude efficiency gains over widely-used exact algorithms, scales well with increasing grid resolution, and maintains a high level of accuracy. PMID:26609185
NASA Astrophysics Data System (ADS)
Kounnas, Costas
The following sections are included: * Introduction * Mass Spectrum in a Spontaneously Broken-Theory SU(5) - Minimal Model * Renormalization and Renormalization Group Equation (R.G.E.) * Step Approximation and Decoupling Theorem * Notion of the Effective Coupling Constant * First Estimation of MX, α(MX) and sin2θ(MW) * Renormalization Properties and Photon-Z Mixing * β-Function Definitions * Threshold Functions and Decoupling Theorem * MX-Determination * Proton Lifetime * sin2θ(μ)-Determination * Quark-Lepton Mass Relations (mb/mτ) * Overview of the Conventional GUTs - Hierarchy Problem * Stability of Hierarchy - Supersymmetric GUTS * Cosmologically Acceptable SUSY GUT Models * Radiative Breaking of SU(2) × U(1) — MW/MX Hierarchy Generation * No Scale Supergravity Models^{56,57} Dynamical Determination of M_{B}-M_{F} * Conclusion * References
Development of a 3D printer using scanning projection stereolithography
Lee, Michael P.; Cooper, Geoffrey J. T.; Hinkley, Trevor; Gibson, Graham M.; Padgett, Miles J.; Cronin, Leroy
2015-01-01
We have developed a system for the rapid fabrication of low cost 3D devices and systems in the laboratory with micro-scale features yet cm-scale objects. Our system is inspired by maskless lithography, where a digital micromirror device (DMD) is used to project patterns with resolution up to 10 µm onto a layer of photoresist. Large area objects can be fabricated by stitching projected images over a 5cm2 area. The addition of a z-stage allows multiple layers to be stacked to create 3D objects, removing the need for any developing or etching steps but at the same time leading to true 3D devices which are robust, configurable and scalable. We demonstrate the applications of the system by printing a range of micro-scale objects as well as a fully functioning microfluidic droplet device and test its integrity by pumping dye through the channels. PMID:25906401
Computer implemented empirical mode decomposition method, apparatus and article of manufacture
NASA Technical Reports Server (NTRS)
Huang, Norden E. (Inventor)
1999-01-01
A computer implemented physical signal analysis method is invented. This method includes two essential steps and the associated presentation techniques of the results. All the steps exist only in a computer: there are no analytic expressions resulting from the method. The first step is a computer implemented Empirical Mode Decomposition to extract a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform. The final result is the Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum.
Design of affordable and ruggedized biomedical devices using virtual instrumentation.
Mathern, Ryan Michael; Schopman, Sarah; Kalchthaler, Kyle; Mehta, Khanjan; Butler, Peter
2013-05-01
Abstract This paper presents the designs of four low-cost and ruggedized biomedical devices, including a blood pressure monitor, thermometer, weighing scale and spirometer, designed for the East African context. The design constraints included a mass-production price point of $10, accuracy and precision comparable to commercial devices and ruggedness to function effectively in the harsh environment of East Africa. The blood pressure device, thermometer and weighing scale were field-tested in Kenya and each recorded data within 6% error of the measurements from commercial devices and withstood the adverse climate and rough handling. The spirometer functioned according to specifications, but a re-design is needed to improve operability and usability by patients. This article demonstrates the feasibility of designing and commercializing virtual instrumentation-based biomedical devices in resource-constrained environments through context-driven design. The next steps for the devices include designing them such that they can be more easily manufactured, use standardized materials, are easily calibrated in the field and have more user-friendly software programs that can be updated remotely.
Strauss, G; Winkler, D; Jacobs, S; Trantakis, C; Dietz, A; Bootz, F; Meixensberger, J; Falk, V
2005-07-01
This study examines the advantages and disadvantages of a commercial telemanipulator system (daVinci, Intuitive Surgical, USA) with computer-guided instruments in functional endoscopic sinus surgery (FESS). We performed five different surgical FESS steps on 14 anatomical preparation and compared them with conventional FESS. A total of 140 procedures were examined taking into account the following parameters: degrees of freedom (DOF), duration , learning curve, force feedback, human-machine-interface. Telemanipulatory instruments have more DOF available then conventional instrumentation in FESS. The average time consumed by configuration of the telemanipulator is around 9+/-2 min. Missing force feedback is evaluated mainly as a disadvantage of the telemanipulator. Scaling was evaluated as helpful. The ergonomic concept seems to be better than the conventional solution. Computer guided instruments showed better results for the available DOF of the instruments. The human-machine-interface is more adaptable and variable then in conventional instrumentation. Motion scaling and indexing are characteristics of the telemanipulator concept which are helpful for FESS in our study.
Rijken, Noortje H; van Engelen, Baziel G; Weerdesteyn, Vivian; Geurts, Alexander C
2015-12-01
To evaluate the construct validity and interrater reliability of 4 simple antigravity tests in a small group of patients with facioscapulohumeral muscular dystrophy (FSHD). Case-control study. University medical center. Patients with various severity levels of FSHD (n=9) and healthy control subjects (n=10) were included (N=19). Not applicable. A 4-point ordinal scale was designed to grade performance on the following 4 antigravity tests: sit to stance, stance to sit, step up, and step down. In addition, the 6-minute walk test, 10-m walking test, Berg Balance Scale, and timed Up and Go test were administered as conventional tests. Construct validity was determined by linear regression analysis using the Clinical Severity Score (CSS) as the dependent variable. Interrater agreement was tested using a κ analysis. Patients with FSHD performed worse on all 4 antigravity tests compared with the controls. Stronger correlations were found within than between test categories (antigravity vs conventional). The antigravity tests revealed the highest explained variance with regard to the CSS (R(2)=.86, P=.014). Interrater agreement was generally good. The results of this exploratory study support the construct validity and interrater reliability of the proposed antigravity tests for the assessment of functional capacity in patients with FSHD taking into account the use of compensatory strategies. Future research should further validate these results in a larger sample of patients with FSHD. Copyright © 2015 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.
NASA Astrophysics Data System (ADS)
Bradley, A. M.; Segall, P.
2012-12-01
We describe software, in development, to calculate elastostatic displacement Green's functions and their derivatives for point and polygonal dislocations in three-dimensional homogeneous elastic layers above an elastic or a viscoelastic halfspace. The steps to calculate a Green's function for a point source at depth zs are as follows. 1. A grid in wavenumber space is chosen. 2. A six-element complex rotated stress-displacement vector x is obtained at each grid point by solving a two-point boundary value problem (2P-BVP). If the halfspace is viscoelastic, the solution is inverse Laplace transformed. 3. For each receiver, x is propagated to the receiver depth zr (often zr = 0) and then, 4, inverse Fourier transformed, with the Fourier component corresponding to the receiver's horizontal position. 5. The six elements are linearly combined into displacements and their derivatives. The dominant work is in step 2. The grid is chosen to represent the wavenumber-space solution with as few points as possible. First, the wavenumber space is transformed to increase sampling density near 0 wavenumber. Second, a tensor-product grid of Chebyshev points of the first kind is constructed in each quadrant of the transformed wavenumber space. Moment-tensor-dependent symmetries further reduce work. The numerical solution of the 2P-BVP problem in step 2 involves solving a linear equation A x = b. Half of the elements of x are of geophysical interest; the subset depends on whether zr ≤ zs. Denote these \\hat x. As wavenumber k increases, \\hat x can become inaccurate in finite precision arithmetic for two reasons: 1. The condition number of A becomes too large. 2. The norm-wise relative error (NWRE) in \\hat x is large even though it is small in x. To address this problem, a number of researchers have used determinants to obtain x. This may be the best approach for 6-dimensional or smaller 2P-BVP, where the combinatorial increase in work is still moderate. But there is an alternative. Let \\bar A be the matrix after scaling its columns to unit infinity norm and \\bar x the scaled x. If \\bar A is well conditioned, as it often is in (visco)elastostatic problems, then using determinants is unnecessary. Multiply each side of A x = b by a propagator matrix to the computation depth zcd prior to storing the matrix in finite precision. zcd is determined by the rule that zr and zcd must be on opposite sides of zs. Let the resulting matrix be A(zcd). Three facts imply that this rule controls the NWRE in \\hat x: 1. Diagonally scaling a matrix changes the accuracy of an element of the solution by about one ULP (unit in the last place). 2. If the NWRE of \\bar x is small, then the largest elements are accurate. 3. zcd controls the magnitude of elements in \\bar x. In step 4, to avoid numerically Fourier transforming the (nearly) non-square-integrable functions that arise when the receiver and source depths are (nearly) the same, a function is divided into an analytical part and a numerical part that goes quickly to 0 as k -> ∞ . Our poster will describe these calculations, present a preliminary interface to a C-language package in development, and show some physical results.
Unstable vicinal crystal growth from cellular automata
NASA Astrophysics Data System (ADS)
Krasteva, A.; Popova, H.; KrzyŻewski, F.; Załuska-Kotur, M.; Tonchev, V.
2016-03-01
In order to study the unstable step motion on vicinal crystal surfaces we devise vicinal Cellular Automata. Each cell from the colony has value equal to its height in the vicinal, initially the steps are regularly distributed. Another array keeps the adatoms, initially distributed randomly over the surface. The growth rule defines that each adatom at right nearest neighbor position to a (multi-) step attaches to it. The update of whole colony is performed at once and then time increases. This execution of the growth rule is followed by compensation of the consumed particles and by diffusional update(s) of the adatom population. Two principal sources of instability are employed - biased diffusion and infinite inverse Ehrlich-Schwoebel barrier (iiSE). Since these factors are not opposed by step-step repulsion the formation of multi-steps is observed but in general the step bunches preserve a finite width. We monitor the developing surface patterns and quantify the observations by scaling laws with focus on the eventual transition from diffusion-limited to kinetics-limited phenomenon. The time-scaling exponent of the bunch size N is 1/2 for the case of biased diffusion and 1/3 for the case of iiSE. Additional distinction is possible based on the time-scaling exponents of the sizes of multi-step Nmulti, these are 0.36÷0.4 (for biased diffusion) and 1/4 (iiSE).
Plasma Jet Printing and in Situ Reduction of Highly Acidic Graphene Oxide.
Dey, Avishek; Krishnamurthy, Satheesh; Bowen, James; Nordlund, Dennis; Meyyappan, M; Gandhiraman, Ram P
2018-05-23
Miniaturization of electronic devices and the advancement of Internet of Things pose exciting challenges to develop technologies for patterned deposition of functional nanomaterials. Printed and flexible electronic devices and energy storage devices can be embedded onto clothing or other flexible surfaces. Graphene oxide (GO) has gained much attention in printed electronics due its solution processability, robustness, and high electrical conductivity in the reduced state. Here, we introduce an approach to print GO films from highly acidic suspensions with in situ reduction using an atmospheric pressure plasma jet. Low-temperature plasma of a He and H 2 mixture was used successfully to reduce a highly acidic GO suspension (pH < 2) in situ during deposition. This technique overcomes the multiple intermediate steps required to increase the conductivity of deposited GO. X-ray spectroscopic studies confirmed that the reaction intermediates and the concentration of oxygen functionalities bonded to GO have been reduced significantly by this approach without any additional steps. Moreover, the reduced GO films showed enhanced conductivity. Hence, this technique has a strong potential for printing conducting patterns of GO for a range of large-scale applications.
Ridao-Fernández, Carmen; Ojeda, Joaquín; Benítez-Lugo, Marisa; Sevillano, José Luis
2016-01-01
Objective The aim of this study was to design and validate a functional assessment scale for assisted gait with forearm crutches (Chamorro Assisted Gait Scale—CHAGS) and to assess its reliability in people with sprained ankles. Design Thirty subjects who suffered from sprained ankle (anterior talofibular ligament first and second degree) were included in the study. A modified Delphi technique was used to obtain the content validity. The selected items were: pelvic and scapular girdle dissociation(1), deviation of Center of Gravity(2), crutch inclination(3), steps rhythm(4), symmetry of step length(5), cross support(6), simultaneous support of foot and crutch(7), forearm off(8), facing forward(9) and fluency(10). Two raters twice visualized the gait of the sample subjects which were recorded. The criterion-related validity was determined by correlation between CHAGS and Coding of eight criteria of qualitative gait analysis (Viel Coding). Internal consistency and inter and intra-rater reliability were also tested. Results CHAGS obtained a high and negative correlation with Viel Coding. We obtained a good internal consistency and the intra-class correlation coefficients oscillated between 0.97 and 0.99, while the minimal detectable changes were acceptable. Conclusion CHAGS scale is a valid and reliable tool for assessing assisted gait with crutches in people with sprained ankles to perform partial relief of lower limbs. PMID:27168236
Extracting muon momentum scale corrections for hadron collider experiments
NASA Astrophysics Data System (ADS)
Bodek, A.; van Dyne, A.; Han, J. Y.; Sakumoto, W.; Strelnikov, A.
2012-10-01
We present a simple method for the extraction of corrections for bias in the measurement of the momentum of muons in hadron collider experiments. Such bias can originate from a variety of sources such as detector misalignment, software reconstruction bias, and uncertainties in the magnetic field. The two step method uses the mean <1/p^{μ}T rangle for muons from Z→ μμ decays to determine the momentum scale corrections in bins of charge, η and ϕ. In the second step, the corrections are tuned by using the average invariant mass < MZ_{μμ }rangle of Z→ μμ events in the same bins of charge η and ϕ. The forward-backward asymmetry of Z/ γ ∗→ μμ pairs as a function of μ + μ - mass, and the ϕ distribution of Z bosons in the Collins-Soper frame are used to ascertain that the corrections remove the bias in the momentum measurements for positive versus negatively charged muons. By taking the sum and difference of the momentum scale corrections for positive and negative muons, we isolate additive corrections to 1/p^{μ}T that may originate from misalignments and multiplicative corrections that may originate from mis-modeling of the magnetic field (∫ Bṡ d L). This method has recently been used in the CDF experiment at Fermilab and in the CMS experiment at the Large Hadron Collider at CERN.
Relationship of functional fitness with daily steps in community-dwelling older adults.
de Melo, Lucelia Luna; Menec, Verena H; Ready, A Elizabeth
2014-01-01
Walking is the main type of physical activity among community-dwelling older adults and it is associated with various health benefits. However, there is limited evidence about the relationship between functional fitness and walking performed under independent living conditions among older adults. This study examined the relationship between functional fitness and steps walked per day among older adults, both assessed objectively, with performance-based measures accounting for the effect of age, gender, and chronic conditions. In this cross-sectional study, 60 participants aged 65 years or older (mean = 76.9 ± 7.3 years, range 65-92 years) wore pedometers for 3 consecutive days. Functional fitness was measured using the Functional Fitness Test (lower and upper body strength, endurance, lower and upper body flexibility, agility/balance). The outcome measure was the mean number of steps walked for 3 days with participants classified into tertiles: low walkers (<3000 steps), medium walkers (≥3000 < 6500 steps), and high walkers (≥6500 steps). After controlling for age, gender, and the number of chronic conditions, none of the functional fitness parameters was significantly associated with steps taken per day when comparing medium walkers with low walkers. In contrast, all functional fitness parameters, except upper body flexibility, were significantly associated with steps taken per day when comparing high walkers with low walkers. In this sample of older adults, greater functional fitness was associated only with relatively high levels of walking involving 6500 steps per day or more. It was not related to medium walking levels. The findings point to the importance of interventions to maintain or enhance functional fitness among older adults.
Psychosocial consequences of cancer cachexia: the development of an item bank.
Häne, Hanspeter; Oberholzer, Rolf; Walker, Jochen; Hopkinson, Jane B; de Wolf-Linder, Susanne; Strasser, Florian
2013-12-01
Cancer cachexia syndrome (CCS) is often accompanied by psychosocial consequences (PSC). To alleviate PSC, a systematic assessment method is required. Currently, few assessment tools are available (e.g., Functional Assessment of Anorexia/Cachexia Therapy). There is no systematic assessment tool that captures the PSC of CCS. To develop a pilot item bank to assess the PSC of CCS. A total of 132 questions, generated from patient answers in a previous study, were reduced to 121 items by content analysis and evaluation by multidisciplinary experts (doctor, nutritionists, and nurses). In our two-step, cross-sectional study, patients, judged by staff to have PSC of CCS, were included, and the questions were randomly allocated to the patients. Questions were evaluated for understandability and triggering emotions, and patients were asked to provide a response using a four-point Likert scale. Subsequently, problematic questions were revised, reformulated, and retested. A total of 20 patients with a variety of tumor types participated. Of the 121 questions, 31 had to be reformulated after Step 1 and were retested in Step 2, after which seven were again evaluated as not being perfectly comprehensible. In Step 1, 22 questions were found to trigger emotions, but no item required remodeling. Item performance using the Likert scale revealed no consistent floor or ceiling effects. Our final pilot question bank comprised 117 questions. The final item bank contains questions that are understood and accepted by the patients. This item bank now needs to be developed into a measurement tool that groups items into domains and can be used in future research studies. Copyright © 2013 U.S. Cancer Pain Relief Committee. Published by Elsevier Inc. All rights reserved.
Scaling behavior of Film growth mechanism
NASA Astrophysics Data System (ADS)
Yoon, Mina; Nyung, Lee Ho; Suo, Zhigang; Hong, Wei; Christen, Hans M.; Lowndes, Doug; Zhang, Zhenyu
2006-03-01
Experimental evidence has accumulated that a strained film can grow stably on a vicinal surface. Linear perturbation analysis of the step-flow regime results in a dispersion relation which determines the persistence of the step-flow growth. The dispersion relation can also be used to probe the system parameters. Investigating the growth dynamics in the step-bunching regime, we found that there is a critical film thickness above which step-bunching occurs. The critical thickness shows a scaling behavior depending on the terrace width and the deposition flux. Experiments show a qualitative agreement with the theory. Our results may open a way to grow films in a desired way.
Using Curved Crystals to Study Terrace-Width Distributions.
NASA Astrophysics Data System (ADS)
Einstein, Theodore L.
Recent experiments on curved crystals of noble and late transition metals (Ortega and Juurlink groups) have renewed interest in terrace width distributions (TWD) for vicinal surfaces. Thus, it is timely to discuss refinements of TWD analysis that are absent from the standard reviews. Rather than by Gaussians, TWDs are better described by the generalized Wigner surmise, with a power-law rise and a Gaussian decay, thereby including effects evident for weak step repulsion: skewness and peak shifts down from the mean spacing. Curved crystals allow analysis of several mean spacings with the same substrate, so that one can check the scaling with the mean width. This is important since such scaling confirms well-established theory. Failure to scale also can provide significant insights. Complicating factors can include step touching (local double-height steps), oscillatory step interactions mediated by metallic (but not topological) surface states, short-range corrections to the inverse-square step repulsion, and accounting for the offset between adjacent layers of almost all surfaces. We discuss how to deal with these issues. For in-plane misoriented steps there are formulas to describe the stiffness but not yet the strength of the elastic interstep repulsion. Supported in part by NSF-CHE 13-05892.
Puberty suppression in adolescents with gender identity disorder: a prospective follow-up study.
de Vries, Annelou L C; Steensma, Thomas D; Doreleijers, Theo A H; Cohen-Kettenis, Peggy T
2011-08-01
Puberty suppression by means of gonadotropin-releasing hormone analogues (GnRHa) is used for young transsexuals between 12 and 16 years of age. The purpose of this intervention is to relieve the suffering caused by the development of secondary sex characteristics and to provide time to make a balanced decision regarding actual gender reassignment. To compare psychological functioning and gender dysphoria before and after puberty suppression in gender dysphoric adolescents. Of the first 70 eligible candidates who received puberty suppression between 2000 and 2008, psychological functioning and gender dysphoria were assessed twice: at T0, when attending the gender identity clinic, before the start of GnRHa; and at T1, shortly before the start of cross-sex hormone treatment. Behavioral and emotional problems (Child Behavior Checklist and the Youth-Self Report), depressive symptoms (Beck Depression Inventory), anxiety and anger (the Spielberger Trait Anxiety and Anger Scales), general functioning (the clinician's rated Children's Global Assessment Scale), gender dysphoria (the Utrecht Gender Dysphoria Scale), and body satisfaction (the Body Image Scale) were assessed. Behavioral and emotional problems and depressive symptoms decreased, while general functioning improved significantly during puberty suppression. Feelings of anxiety and anger did not change between T0 and T1. While changes over time were equal for both sexes, compared with natal males, natal females were older when they started puberty suppression and showed more problem behavior at both T0 and T1. Gender dysphoria and body satisfaction did not change between T0 and T1. No adolescent withdrew from puberty suppression, and all started cross-sex hormone treatment, the first step of actual gender reassignment. Puberty suppression may be considered a valuable contribution in the clinical management of gender dysphoria in adolescents. © 2010 International Society for Sexual Medicine.
Soares, Wuber J. S.; Lima, Camila A.; Bilton, Tereza L.; Ferrioli, Eduardo; Dias, Rosângela C.; Perracini, Monica R.
2015-01-01
Objective: To investigate the relationship between self-perceived fatigue with different physical functioning tests and functional performance scales used for evaluating mobility-related disability among community-dwelling older persons. Method: This is a cross-sectional, population-based study. The sample was composed of older persons with 65 years of age or more living in Cuiabá, MT, and Barueri, SP, Brazil. The data for this study is from the FIBRA Network Study. The presence of self-perceived fatigue was assessed using self-reports based on the Center for Epidemiologic Studies-Depression Scale. The Lawton instrumental activities of daily living scale (IADL) and the advanced activities of daily living scale (AADL) were used to assess performance and participation restriction. The following physical functioning tests were used: five-step test (FST), the Short Physical Performance Battery (SPPB), and usual gait speed (UGS). Three models of logistic regression analysis were conducted, and a significance level of α<0.05 was adopted. Results: The sample was composed of 776 older adults with a mean age (SD) of 71.9 (5.9) years, of whom the majority were women (74%). The prevalence of self-perceived fatigue within the participants was 20%. After adjusting for covariates, SPPB, UGS, IADL, and AADL remained associated with self-perceived fatigue in the final multivariate regression model. Conclusion: Our results suggest that there is an association between self-perceived fatigue and lower extremity function, usual gait speed and activity limitation and participation restriction in older adults. Further cohort studies are needed to investigate which physical performance measure may be able to predict the negative impact of fatigue in older adults. PMID:26039035
Dynamic data-driven integrated flare model based on self-organized criticality
NASA Astrophysics Data System (ADS)
Dimitropoulou, M.; Isliker, H.; Vlahos, L.; Georgoulis, M. K.
2013-05-01
Context. We interpret solar flares as events originating in active regions that have reached the self-organized critical state. We describe them with a dynamic integrated flare model whose initial conditions and driving mechanism are derived from observations. Aims: We investigate whether well-known scaling laws observed in the distribution functions of characteristic flare parameters are reproduced after the self-organized critical state has been reached. Methods: To investigate whether the distribution functions of total energy, peak energy, and event duration follow the expected scaling laws, we first applied the previously reported static cellular automaton model to a time series of seven solar vector magnetograms of the NOAA active region 8210 recorded by the Imaging Vector Magnetograph on May 1 1998 between 18:59 UT and 23:16 UT until the self-organized critical state was reached. We then evolved the magnetic field between these processed snapshots through spline interpolation, mimicking a natural driver in our dynamic model. We identified magnetic discontinuities that exceeded a threshold in the Laplacian of the magnetic field after each interpolation step. These discontinuities were relaxed in local diffusion events, implemented in the form of cellular automaton evolution rules. Subsequent interpolation and relaxation steps covered all transitions until the end of the processed magnetograms' sequence. We additionally advanced each magnetic configuration that has reached the self-organized critical state (SOC configuration) by the static model until 50 more flares were triggered, applied the dynamic model again to the new sequence, and repeated the same process sufficiently often to generate adequate statistics. Physical requirements, such as the divergence-free condition for the magnetic field, were approximately imposed. Results: We obtain robust power laws in the distribution functions of the modeled flaring events with scaling indices that agree well with observations. Peak and total flare energy obey single power laws with indices -1.65 ± 0.11 and -1.47 ± 0.13, while the flare duration is best fitted with a double power law (-2.15 ± 0.15 and -3.60 ± 0.09 for the flatter and steeper parts, respectively). Conclusions: We conclude that well-known statistical properties of flares are reproduced after active regions reach the state of self-organized criticality. A significant enhancement of our refined cellular automaton model is that it initiates and further drives the simulation from observed evolving vector magnetograms, thus facilitating energy calculation in physical units, while a separation between MHD and kinetic timescales is possible by assigning distinct MHD timestamps to each interpolation step.
Postprocessing Algorithm for Driving Conventional Scanning Tunneling Microscope at Fast Scan Rates
Zhang, Hao; Li, Xianqi; Park, Jewook; Li, An-Ping
2017-01-01
We present an image postprocessing framework for Scanning Tunneling Microscope (STM) to reduce the strong spurious oscillations and scan line noise at fast scan rates and preserve the features, allowing an order of magnitude increase in the scan rate without upgrading the hardware. The proposed method consists of two steps for large scale images and four steps for atomic scale images. For large scale images, we first apply for each line an image registration method to align the forward and backward scans of the same line. In the second step we apply a “rubber band” model which is solved by a novel Constrained Adaptive and Iterative Filtering Algorithm (CIAFA). The numerical results on measurement from copper(111) surface indicate the processed images are comparable in accuracy to data obtained with a slow scan rate, but are free of the scan drift error commonly seen in slow scan data. For atomic scale images, an additional first step to remove line-by-line strong background fluctuations and a fourth step of replacing the postprocessed image by its ranking map as the final atomic resolution image are required. The resulting image restores the lattice image that is nearly undetectable in the original fast scan data. PMID:29362664
Yu, Sungduk; Pritchard, Michael S.
2015-12-17
The effect of global climate model (GCM) time step—which also controls how frequently global and embedded cloud resolving scales are coupled—is examined in the Superparameterized Community Atmosphere Model ver 3.0. Systematic bias reductions of time-mean shortwave cloud forcing (~10 W/m 2) and longwave cloud forcing (~5 W/m 2) occur as scale coupling frequency increases, but with systematically increasing rainfall variance and extremes throughout the tropics. An overarching change in the vertical structure of deep tropical convection, favoring more bottom-heavy deep convection as a global model time step is reduced may help orchestrate these responses. The weak temperature gradient approximation ismore » more faithfully satisfied when a high scale coupling frequency (a short global model time step) is used. These findings are distinct from the global model time step sensitivities of conventionally parameterized GCMs and have implications for understanding emergent behaviors of multiscale deep convective organization in superparameterized GCMs. Lastly, the results may also be useful for helping to tune them.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yu, Sungduk; Pritchard, Michael S.
The effect of global climate model (GCM) time step—which also controls how frequently global and embedded cloud resolving scales are coupled—is examined in the Superparameterized Community Atmosphere Model ver 3.0. Systematic bias reductions of time-mean shortwave cloud forcing (~10 W/m 2) and longwave cloud forcing (~5 W/m 2) occur as scale coupling frequency increases, but with systematically increasing rainfall variance and extremes throughout the tropics. An overarching change in the vertical structure of deep tropical convection, favoring more bottom-heavy deep convection as a global model time step is reduced may help orchestrate these responses. The weak temperature gradient approximation ismore » more faithfully satisfied when a high scale coupling frequency (a short global model time step) is used. These findings are distinct from the global model time step sensitivities of conventionally parameterized GCMs and have implications for understanding emergent behaviors of multiscale deep convective organization in superparameterized GCMs. Lastly, the results may also be useful for helping to tune them.« less
A Scaled Framework for CRISPR Editing of Human Pluripotent Stem Cells to Study Psychiatric Disease.
Hazelbaker, Dane Z; Beccard, Amanda; Bara, Anne M; Dabkowski, Nicole; Messana, Angelica; Mazzucato, Patrizia; Lam, Daisy; Manning, Danielle; Eggan, Kevin; Barrett, Lindy E
2017-10-10
Scaling of CRISPR-Cas9 technology in human pluripotent stem cells (hPSCs) represents an important step for modeling complex disease and developing drug screens in human cells. However, variables affecting the scaling efficiency of gene editing in hPSCs remain poorly understood. Here, we report a standardized CRISPR-Cas9 approach, with robust benchmarking at each step, to successfully target and genotype a set of psychiatric disease-implicated genes in hPSCs and provide a resource of edited hPSC lines for six of these genes. We found that transcriptional state and nucleosome positioning around targeted loci was not correlated with editing efficiency. However, editing frequencies varied between different hPSC lines and correlated with genomic stability, underscoring the need for careful cell line selection and unbiased assessments of genomic integrity. Together, our step-by-step quantification and in-depth analyses provide an experimental roadmap for scaling Cas9-mediated editing in hPSCs to study psychiatric disease, with broader applicability for other polygenic diseases. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.
Jaiswal, Astha; Godinez, William J; Eils, Roland; Lehmann, Maik Jorg; Rohr, Karl
2015-11-01
Automatic fluorescent particle tracking is an essential task to study the dynamics of a large number of biological structures at a sub-cellular level. We have developed a probabilistic particle tracking approach based on multi-scale detection and two-step multi-frame association. The multi-scale detection scheme allows coping with particles in close proximity. For finding associations, we have developed a two-step multi-frame algorithm, which is based on a temporally semiglobal formulation as well as spatially local and global optimization. In the first step, reliable associations are determined for each particle individually in local neighborhoods. In the second step, the global spatial information over multiple frames is exploited jointly to determine optimal associations. The multi-scale detection scheme and the multi-frame association finding algorithm have been combined with a probabilistic tracking approach based on the Kalman filter. We have successfully applied our probabilistic tracking approach to synthetic as well as real microscopy image sequences of virus particles and quantified the performance. We found that the proposed approach outperforms previous approaches.
Bruera, E; Seifert, L; Watanabe, S; Babul, N; Darke, A; Harsanyi, Z; Suarez-Almazor, M
1996-03-01
The purpose of this retrospective study is to assess the frequency and intensity of chronic nausea in patients admitted to the Palliative Care Unit and the results of a metoclopramide-based treatment regimen. We reviewed the medical records of 100 consecutive patients admitted to the Palliative Care Unit at the Edmonton General Hospital until death during 1992-1993. All patients had terminal cancer and normal cognitive function. All patients completed the Functional Analogue Scale for appetite, nausea, pain, activity, shortness of breath, and sensation of well-being at 1000 and 1600 hours every day. Patients who complained of nausea initially received metoclopramide 10 mg every 4 hr orally or subcutaneously (Step 1). If nausea persisted, dexamethasone 10 mg twice daily was added (Step 2). Step 3 consisted of a continuous subcutaneous infusion of metoclopramide of 60-120 mg/day plus dexamethasone. If no response was observed, other antiemetics were administered (Step 4). Upon admission to the unit, 32 patients (32%) presented with nausea. During the average admission of 25 +/- 13 days, 98 patients (98%) developed nausea. Twenty-five patients (25%) required other antiemetics because of bowel obstruction (18), extrapyramidal side effects (3), or other reasons (4). Most patients without bowel obstruction achieved excellent control of nausea using the metoclopramide-based regimen. During the first 5 days and last 5 days of admission, nausea had significantly lower intensity than the rest of the symptoms that were monitored. Our results suggest that, although nausea is very frequent, it can be well controlled in the majority of patients using safe and simple antiemetic regimens.
Unsteady Crystal Growth Due to Step-Bunch Cascading
NASA Technical Reports Server (NTRS)
Vekilov, Peter G.; Lin, Hong; Rosenberger, Franz
1997-01-01
Based on our experimental findings of growth rate fluctuations during the crystallization of the protein lysozym, we have developed a numerical model that combines diffusion in the bulk of a solution with diffusive transport to microscopic growth steps that propagate on a finite crystal facet. Nonlinearities in layer growth kinetics arising from step interaction by bulk and surface diffusion, and from step generation by surface nucleation, are taken into account. On evaluation of the model with properties characteristic for the solute transport, and the generation and propagation of steps in the lysozyme system, growth rate fluctuations of the same magnitude and characteristic time, as in the experiments, are obtained. The fluctuation time scale is large compared to that of step generation. Variations of the governing parameters of the model reveal that both the nonlinearity in step kinetics and mixed transport-kinetics control of the crystallization process are necessary conditions for the fluctuations. On a microscopic scale, the fluctuations are associated with a morphological instability of the vicinal face, in which a step bunch triggers a cascade of new step bunches through the microscopic interfacial supersaturation distribution.
The Development of the strain in dementia care scale (SDCS).
Edberg, Anna-Karin; Anderson, Katrina; Orrung Wallin, Anneli; Bird, Mike
2015-12-01
Though many staff gain satisfaction from working with people with dementia in residential facilities, they also experience significant stress. This is a serious issue because this in turn can affect the quality of care. There is, however, a lack of instruments to measure staff strain in the dementia-specific residential care environment, and the aim of this study, accordingly, was to develop the "Strain in Dementia Care Scale." The instrument was developed in three steps. In the first step, items were derived from six focus group discussions with 35 nurses in the United Kingdom, Australia, and Sweden concerning their experience of strain. In the second step, a preliminary 64-item scale was distributed to 927 dementia care staff in Australia and Sweden, which, based on exploratory factor analysis, resulted in a 29-item scale. In the final step, the 29-item scale was distributed to a new sample of 346 staff in Sweden, and the results were subjected to confirmatory factor analysis. The final scale comprised the following 27 items producing a five-factor solution: Frustrated empathy; difficulties understanding and interpreting; balancing competing needs; balancing emotional involvement; and lack of recognition. The scale can be used (a) as an outcome measurement in residential care intervention studies; (b) to help residential facilities identify interventions needed to improve staff well-being, and, by extension, those they care for; and (c) to generally make more salient the critical issue of staff strain and the importance of ameliorating it.
Data-Driven Design of Intelligent Wireless Networks: An Overview and Tutorial.
Kulin, Merima; Fortuna, Carolina; De Poorter, Eli; Deschrijver, Dirk; Moerman, Ingrid
2016-06-01
Data science or "data-driven research" is a research approach that uses real-life data to gain insight about the behavior of systems. It enables the analysis of small, simple as well as large and more complex systems in order to assess whether they function according to the intended design and as seen in simulation. Data science approaches have been successfully applied to analyze networked interactions in several research areas such as large-scale social networks, advanced business and healthcare processes. Wireless networks can exhibit unpredictable interactions between algorithms from multiple protocol layers, interactions between multiple devices, and hardware specific influences. These interactions can lead to a difference between real-world functioning and design time functioning. Data science methods can help to detect the actual behavior and possibly help to correct it. Data science is increasingly used in wireless research. To support data-driven research in wireless networks, this paper illustrates the step-by-step methodology that has to be applied to extract knowledge from raw data traces. To this end, the paper (i) clarifies when, why and how to use data science in wireless network research; (ii) provides a generic framework for applying data science in wireless networks; (iii) gives an overview of existing research papers that utilized data science approaches in wireless networks; (iv) illustrates the overall knowledge discovery process through an extensive example in which device types are identified based on their traffic patterns; (v) provides the reader the necessary datasets and scripts to go through the tutorial steps themselves.
Data-Driven Design of Intelligent Wireless Networks: An Overview and Tutorial
Kulin, Merima; Fortuna, Carolina; De Poorter, Eli; Deschrijver, Dirk; Moerman, Ingrid
2016-01-01
Data science or “data-driven research” is a research approach that uses real-life data to gain insight about the behavior of systems. It enables the analysis of small, simple as well as large and more complex systems in order to assess whether they function according to the intended design and as seen in simulation. Data science approaches have been successfully applied to analyze networked interactions in several research areas such as large-scale social networks, advanced business and healthcare processes. Wireless networks can exhibit unpredictable interactions between algorithms from multiple protocol layers, interactions between multiple devices, and hardware specific influences. These interactions can lead to a difference between real-world functioning and design time functioning. Data science methods can help to detect the actual behavior and possibly help to correct it. Data science is increasingly used in wireless research. To support data-driven research in wireless networks, this paper illustrates the step-by-step methodology that has to be applied to extract knowledge from raw data traces. To this end, the paper (i) clarifies when, why and how to use data science in wireless network research; (ii) provides a generic framework for applying data science in wireless networks; (iii) gives an overview of existing research papers that utilized data science approaches in wireless networks; (iv) illustrates the overall knowledge discovery process through an extensive example in which device types are identified based on their traffic patterns; (v) provides the reader the necessary datasets and scripts to go through the tutorial steps themselves. PMID:27258286
Burrowes, Kelly S; Iravani, Amin; Kang, Wendy
2018-01-12
The lung is a delicately balanced and highly integrated mechanical system. Lung tissue is continuously exposed to the environment via the air we breathe, making it susceptible to damage. As a consequence, respiratory diseases present a huge burden on society and their prevalence continues to rise. Emergent function is produced not only by the sum of the function of its individual components but also by the complex feedback and interactions occurring across the biological scales - from genes to proteins, cells, tissue and whole organ - and back again. Computational modeling provides the necessary framework for pulling apart and putting back together the pieces of the body and organ systems so that we can fully understand how they function in both health and disease. In this review, we discuss models of lung tissue mechanics spanning from the protein level (the extracellular matrix) through to the level of cells, tissue and whole organ, many of which have been developed in isolation. This is a vital step in the process but to understand the emergent behavior of the lung, we must work towards integrating these component parts and accounting for feedback across the scales, such as mechanotransduction. These interactions will be key to unlocking the mechanisms occurring in disease and in seeking new pharmacological targets and improving personalized healthcare. Copyright © 2018 Elsevier Ltd. All rights reserved.
Monitoring My Multiple Sclerosis
Namey, Marie; Halper, June
2011-01-01
Optimal health of people with multiple sclerosis (MS) can be promoted by patients' sharing of health information gained through periodic self-monitoring with their health-care providers. The purpose of this study was to develop a valid and reliable self-administered scale to obtain information about MS patients' health status and the impact of the disease on their daily lives. We named this scale “Monitoring My Multiple Sclerosis” (MMMS). A cross-sectional survey was conducted of 171 MS patients who completed the MMMS and Patient-Determined Disease Steps (PDDS) scales and provided information on their MS disease classification and demographic characteristics. Data analysis included several parametric procedures. Factor analysis of the 26-item MMMS resulted in four factors with satisfactory α reliability coefficients for the total scale (0.90) and factored subscales: Physical (0.85), Relationships (0.80), Energy (0.70), and Cognitive/Mental (0.67). Analysis of variance demonstrated that the total scale and the Physical subscale, but not the Relationships subscale, showed significantly worse functioning for patients with either moderate or severe disability as measured by the PDDS than for patients with mild disability (P < .001). The Cognitive/Mental subscale showed significantly worse functioning for patients with moderate disability than for patients with mild disability (P < .05). However, the Energy subscale showed significantly worse functioning among moderately disabled patients than among severely disabled patients (P < .01). Independent t tests demonstrated that patients classified as having secondary progressive multiple sclerosis had significantly worse scores on the total MMMS (P < .05) and the Physical subscale (P < .001) than those classified as having relapsing-remitting multiple sclerosis. The MMMS demonstrated satisfactory reliability and validity and is recommended for use by MS patients and their health-care providers as a mechanism to promote the sharing of health information, to the benefit of both patients and providers. PMID:24453717
ERIC Educational Resources Information Center
Peterson, Candida C.; Wellman, Henry M.; Slaughter, Virginia
2012-01-01
Children aged 3-2 years (n = 184) with typical development, deafness, autism, or Asperger syndrome took a series of theory-of-mind (ToM) tasks to confirm and extend previous developmental scaling evidence. A new sarcasm task, in the format of H. M. Wellman and D. Liu's (2004) 5-step ToM Scale, added a statistically reliable 6th step to the scale…
Peterson, Candida C; Wellman, Henry M; Slaughter, Virginia
2012-01-01
Children aged 3-12 years (n = 184) with typical development, deafness, autism, or Asperger syndrome took a series of theory-of-mind (ToM) tasks to confirm and extend previous developmental scaling evidence. A new sarcasm task, in the format of H. M. Wellman and D. Liu's (2004) 5-step ToM Scale, added a statistically reliable 6th step to the scale for all diagnostic groups. A key previous finding, divergence in task sequencing for children with autism, was confirmed. Comparisons among diagnostic groups, controlling age, and language ability, showed that typical developers mastered the 6 ToM steps ahead of each of the 3 disabled groups, with implications for ToM theories. The final (sarcasm) task challenged even nondisabled 9-year-olds, demonstrating the new scale's sensitivity to post-preschool ToM growth. © 2012 The Authors. Child Development © 2012 Society for Research in Child Development, Inc.
Patel, Pritesh; Mahmud, Dolores; Park, Youngmin; Yoshinaga, Kazumi; Mahmud, Nadim; Rondelli, Damiano
2015-01-01
Clinical isolation of circulating CD4+CD25+ regulatory T cells (Tregs) from peripheral blood mononuclear cells is usually performed by CD4+ cell negative selection followed by CD25+ cell positive selection. Although G-CSF mobilized peripheral blood (G-PBSC) contains a high number of Tregs, a high number of monocytes in G-PBSC limits Treg isolation. Using a small scale device (MidiMACS, Miltenyi) we initially demonstrated that an initial depletion of monocytes would be necessary to obtaina separation of CD4+CD25+FoxP3+CD127- cells from G-PBSC (G-Tregs) with a consistent purity >70% and inhibitory activity of T cell alloreactivity in-vitro. We then validated the same approach in a clinical scale setting by separating G-Tregs with clinically available antibodies to perform a CD8+CD19+CD14+ cell depletion followed by CD25+ cell selection (2-step process) or by adding an initial CD14+ cell depletion (3-step process) using a CliniMACS column. The 3-step approach resulted in a better purity (81±12% vs. 35±33%) and yield (66% vs. 39%). Clinically isolated G-Tregs were also FoxP3+CD127dim and functionally suppressive in-vitro. Our findings suggest that a better and more consistent purity of Tregs can be achieved from G-PBSC by an initial single depletion of monocytes prior to selection of CD4+CD25+ cells. PMID:27069755
Li, Huaqing; Chen, Guo; Huang, Tingwen; Dong, Zhaoyang; Zhu, Wei; Gao, Lan
2016-12-01
In this paper, we consider the event-triggered distributed average-consensus of discrete-time first-order multiagent systems with limited communication data rate and general directed network topology. In the framework of digital communication network, each agent has a real-valued state but can only exchange finite-bit binary symbolic data sequence with its neighborhood agents at each time step due to the digital communication channels with energy constraints. Novel event-triggered dynamic encoder and decoder for each agent are designed, based on which a distributed control algorithm is proposed. A scheme that selects the number of channel quantization level (number of bits) at each time step is developed, under which all the quantizers in the network are never saturated. The convergence rate of consensus is explicitly characterized, which is related to the scale of network, the maximum degree of nodes, the network structure, the scaling function, the quantization interval, the initial states of agents, the control gain and the event gain. It is also found that under the designed event-triggered protocol, by selecting suitable parameters, for any directed digital network containing a spanning tree, the distributed average consensus can be always achieved with an exponential convergence rate based on merely one bit information exchange between each pair of adjacent agents at each time step. Two simulation examples are provided to illustrate the feasibility of presented protocol and the correctness of the theoretical results.
Interval-level measurement with visual analogue scales in Internet-based research: VAS Generator.
Reips, Ulf-Dietrich; Funke, Frederik
2008-08-01
The present article describes VAS Generator (www.vasgenerator.net), a free Web service for creating a wide range of visual analogue scales that can be used as measurement devices in Web surveys and Web experimentation, as well as for local computerized assessment. A step-by-step example for creating and implementing a visual analogue scale with visual feedback is given. VAS Generator and the scales it generates work independently of platforms and use the underlying languages HTML and JavaScript. Results from a validation study with 355 participants are reported and show that the scales generated with VAS Generator approximate an interval-scale level. In light of previous research on visual analogue versus categorical (e.g., radio button) scales in Internet-based research, we conclude that categorical scales only reach ordinal-scale level, and thus visual analogue scales are to be preferred whenever possible.
Between fall and fall-rise: substance-function relations in German phrase-final intonation contours.
Ambrazaitis, Gilbert
2005-01-01
This study investigates an intonation contour of German whose status has not been established yet: a globally falling contour with a slight rise at the very end of the phrase (FSR). The contour may be said to lie on a phonetic continuum between falling (F) and falling-rising (FR) contours. It is hypothesized that F, FR and FSR differ with respect to their communicative functions: F is terminal, FR is non-terminal, and FSR is pseudo-terminal, respectively. The hypotheses were tested in two steps. First, measurements in a labelled corpus of spontaneous speech provided the necessary background information on the phonetics of the contours. In the second step, the general hypothesis was approached in a perceptual experiment using the paradigm of a semantic differential: 49 listeners judged 17 systematically generated stimuli on nine semantic scales, such as 'impolite/polite'. The hypotheses were generally confirmed. Both F and FSR were associated with a conclusive statement, while FR was more likely to be judged as marking a question. FSR differs from F in that it does not express features such as categoricalness, dominance or impoliteness. The results are interpreted as an instance of the frequency code: the addition of a slight rise means avoidance of extremely low F(0); the functional consequence is a reduction of communicated dominance.
NASA Astrophysics Data System (ADS)
Singh, R. A.; Satyanarayana, N.; Kustandi, T. S.; Sinha, S. K.
2011-01-01
Micro/nano-electro-mechanical-systems (MEMS/NEMS) are miniaturized devices built at micro/nanoscales. At these scales, the surface/interfacial forces are extremely strong and they adversely affect the smooth operation and the useful operating lifetimes of such devices. When these forces manifest in severe forms, they lead to material removal and thereby reduce the wear durability of the devices. In this paper, we present a simple, yet robust, two-step surface modification method to significantly enhance the tribological performance of MEMS/NEMS materials. The two-step method involves oxygen plasma treatment of polymeric films and the application of a nanolubricant, namely perfluoropolyether. We apply the two-step method to the two most important MEMS/NEMS structural materials, namely silicon and SU8 polymer. On applying surface modification to these materials, their initial coefficient of friction reduces by ~4-7 times and the steady-state coefficient of friction reduces by ~2.5-3.5 times. Simultaneously, the wear durability of both the materials increases by >1000 times. The two-step method is time effective as each of the steps takes the time duration of approximately 1 min. It is also cost effective as the oxygen plasma treatment is a part of the MEMS/NEMS fabrication process. The two-step method can be readily and easily integrated into MEMS/NEMS fabrication processes. It is anticipated that this method will work for any kind of structural material from which MEMS/NEMS are or can be made.
Torney, Colin J; Hopcraft, J Grant C; Morrison, Thomas A; Couzin, Iain D; Levin, Simon A
2018-05-19
A central question in ecology is how to link processes that occur over different scales. The daily interactions of individual organisms ultimately determine community dynamics, population fluctuations and the functioning of entire ecosystems. Observations of these multiscale ecological processes are constrained by various technological, biological or logistical issues, and there are often vast discrepancies between the scale at which observation is possible and the scale of the question of interest. Animal movement is characterized by processes that act over multiple spatial and temporal scales. Second-by-second decisions accumulate to produce annual movement patterns. Individuals influence, and are influenced by, collective movement decisions, which then govern the spatial distribution of populations and the connectivity of meta-populations. While the field of movement ecology is experiencing unprecedented growth in the availability of movement data, there remain challenges in integrating observations with questions of ecological interest. In this article, we present the major challenges of addressing these issues within the context of the Serengeti wildebeest migration, a keystone ecological phenomena that crosses multiple scales of space, time and biological complexity.This article is part of the theme issue 'Collective movement ecology'. © 2018 The Author(s).
Multi-Spatiotemporal Patterns of Residential Burglary Crimes in Chicago: 2006-2016
NASA Astrophysics Data System (ADS)
Luo, J.
2017-10-01
This research attempts to explore the patterns of burglary crimes at multi-spatiotemporal scales in Chicago between 2006 and 2016. Two spatial scales are investigated that are census block and police beat area. At each spatial scale, three temporal scales are integrated to make spatiotemporal slices: hourly scale with two-hour time step from 12:00am to the end of the day; daily scale with one-day step from Sunday to Saturday within a week; monthly scale with one-month step from January to December. A total of six types of spatiotemporal slices will be created as the base for the analysis. Burglary crimes are spatiotemporally aggregated to spatiotemporal slices based on where and when they occurred. For each type of spatiotemporal slices with burglary occurrences integrated, spatiotemporal neighborhood will be defined and managed in a spatiotemporal matrix. Hot-spot analysis will identify spatiotemporal clusters of each type of spatiotemporal slices. Spatiotemporal trend analysis is conducted to indicate how the clusters shift in space and time. The analysis results will provide helpful information for better target policing and crime prevention policy such as police patrol scheduling regarding times and places covered.
Awareness of disease in dementia: Development of a multidimensional rating scale.
Dourado, Marcia; Marinho, Valeska; Soares, Cláudia; Engelhardt, Eliasz; Laks, Jerson
2007-01-01
To describe the development of the Assessment Scale of Psychosocial Impact of the Diagnosis of Dementia (ASPIDD), a multidimensional scale to evaluate awareness of disease in dementia. The development of this scale was conducted in four steps. In step one, questions were drawn up after a review of the literature. The second step involved the suggestions offered by a neurologist regarding the skills considered important for the scale. The third step involved the re-writing and review of the domains and questions in the scale followed by a semantic evaluation performed by two independent psychiatrists. Step four consisted of the preliminary study aimed at evaluating the applicability of the ASPIDD. In the semantic evaluation only minor changes were proposed. The preliminary sample had 52 patients, comprising 23 CDR 1 (male=9; female=14) and 29 CDR2 (male=13; female=16).Mean age of patients was 69.7±5.51(CDR1) and 73.6±9.4 (CDR2), and age at onset was 66.4±5.7 years (CDR1) and 68.3±9.3 year (CDR2).Mean schooling was 9.0±4.3 years (CDR1) and 8.8±4.4 years (CDR2). Mean MMSE was 21.0±3.3(CDR1) and 17.6±3.5(CDR2).Mean Cornell was 4.8±2.3(CDR1) and 4.2±1.9 (CDR2). The patient and caregiver dyads were aware of problems, mainly of those related to social, family and affective relations. The higher rates of discrepant responses were found on the awareness of cognitive deficits and changes in ADL. The ASPIDD is a multidimensional instrument to assess awareness of disease among AD patients.
Awareness of disease in dementia: Development of a multidimensional rating scale
Dourado, Marcia; Marinho, Valeska; Soares, Cláudia; Engelhardt, Eliasz; Laks, Jerson
2007-01-01
Objective To describe the development of the Assessment Scale of Psychosocial Impact of the Diagnosis of Dementia (ASPIDD), a multidimensional scale to evaluate awareness of disease in dementia. Method The development of this scale was conducted in four steps. In step one, questions were drawn up after a review of the literature. The second step involved the suggestions offered by a neurologist regarding the skills considered important for the scale. The third step involved the re-writing and review of the domains and questions in the scale followed by a semantic evaluation performed by two independent psychiatrists. Step four consisted of the preliminary study aimed at evaluating the applicability of the ASPIDD. Results In the semantic evaluation only minor changes were proposed. The preliminary sample had 52 patients, comprising 23 CDR 1 (male=9; female=14) and 29 CDR2 (male=13; female=16).Mean age of patients was 69.7±5.51(CDR1) and 73.6±9.4 (CDR2), and age at onset was 66.4±5.7 years (CDR1) and 68.3±9.3 year (CDR2).Mean schooling was 9.0±4.3 years (CDR1) and 8.8±4.4 years (CDR2). Mean MMSE was 21.0±3.3(CDR1) and 17.6±3.5(CDR2).Mean Cornell was 4.8±2.3(CDR1) and 4.2±1.9 (CDR2). The patient and caregiver dyads were aware of problems, mainly of those related to social, family and affective relations. The higher rates of discrepant responses were found on the awareness of cognitive deficits and changes in ADL. Conclusion The ASPIDD is a multidimensional instrument to assess awareness of disease among AD patients. PMID:29213371
Peterson, Candida C.; Wellman, Henry M.; Slaughter, Virginia
2013-01-01
Children aged 3 to 12 years (n=184) with typical development, deafness, autism or Asperger Syndrome took a series of theory-of-mind (ToM) tasks to confirm and extend previous developmental scaling evidence. A new sarcasm task, in the format of Wellman and Liu’s (2004) 5-step ToM scale, added a statistically reliable sixth step to the scale for all diagnostic groups. A key previous finding, divergence in task sequencing for children with autism, was confirmed. Comparisons among diagnostic groups, controlling age and language ability, showed that typical developers mastered the six ToM steps ahead of each of the three disabled groups, with implications for ToM theories. The final (sarcasm) task challenged even nondisabled 9-year-olds, demonstrating the new scale’s sensitivity to post-preschool ToM growth. PMID:22304467
Jäger, B; Schmid-Ott, G; Ernst, G; Dölle-Lange, E; Sack, M
2012-06-01
The aim of this study was to construct and validate a short self-rating questionnaire for the assessment of ego functions and ability of self regulation. An item pool of 120 items covering 6 postulated dimensions was reduced by two steps in independent samples (n = 136 + 470) via factor and item analyses to the final version consisting of 35 items. The 5 resulting questionnaire scales "interpersonal disturbances", "frustration tolerance and impulse control", "identity disturbances", "affect differentiation and affect tolerance" and "self-esteem" were well interpretable and showed in confirmatory factor analysis the best fit to the data (CHI²/df = 3.48; RMSEA = 0.73). Total scores were found to differentiate well between diagnostic groups of patients with more or less ego pathology (FANOVA = 9.8; df = 11; p < 0.001), thus proving good concurrent validity. Reliability was shown by testing internal consistency and test-retest correlations. The "Hannover self-regulation questionnaire" (HSRQ) evidently is an appropriate and reliable screening instrument in order to assess ego functions and capacities of self regulation in an economic and user-friendly means. The scale structure allows differentiated diagnostics of weak vs. stable ego functions and may be used for detailed therapy planning. © Georg Thieme Verlag KG Stuttgart · New York.
Meilhac, B; Montestruc, F; Aubin, F; Djian, F; Rouffy, J
1997-01-01
The functional limitation of patients with obliterative arterial disease, and with intermittent claudication, damages their quality of life. The purpose of this trial was to compare the effects of nicergoline and naftidrofuryl on the quality of life and the functional discomfort of the 131 patients with claudication. It was a multicentre, randomised, double-blind trial with parallel groups. The patients were asked to complete a quality of life questionnaire and a Visual Analogue Scale, and to evaluate the number of steps on flat ground before the pain began. After 6 months of treatment, we observed, for all treatments combined, a significant improvement (p = 0.0001) in the quality of life and in the functional discomfort. Three variables favoured nicergoline: the estimated time before the onset of the pain (p = 0.003), the functional discomfort quantified by the Visual Analogue Scale (p < 0.05), the distance covered on flat ground (p = 0.013). The other variables, and especially the total score on the self-questionnaire, confirmed this impression, without reaching significance (p = 0.136). The data suggest that in terms of quality of life nicergoline is superior. The clinical tolerance is good and comparable between the two treatments.
Developing survey grids to substantiate freedom from exotic pests
John W. Coulston; Frank H. Koch; William D. Smith
2009-01-01
Systematic, hierarchical intensification of the Environmental Monitoring and Assessment Program hexagon for North America yields a simple procedure for developing national-scale survey grids. In this article, we describe the steps to create a national-scale survey grid using a risk map as the starting point. We illustrate the steps using an exotic pest example in which...
ERIC Educational Resources Information Center
Bass, Kristin M.; Drits-Esser, Dina; Stark, Louisa A.
2016-01-01
The credibility of conclusions made about the effectiveness of educational interventions depends greatly on the quality of the assessments used to measure learning gains. This essay, intended for faculty involved in small-scale projects, courses, or educational research, provides a step-by-step guide to the process of developing, scoring, and…
Olsen, Timothy W; Liao, Albert; Robinson, Hershonna S; Palejwala, Neal V; Sprehe, Nicholas
2017-10-01
To refine the Minnesota Grading System (MGS) using definitions from the Age-Related Eye Disease Studies (AREDS) into a nine-step grading scale (MGS-9). A nine-step grading scale descriptive analysis using three key phenotypic features (total drusen area, increased, and decreased pigmentation) of human eyebank eyes that were graded according to definitions from the AREDS criteria in order to harmonize studies of disease progression for research involving human tissue. From 2005 through February 2017, we have analyzed 1159 human eyes, procured from two eyebanks. Each macula was imaged using high-resolution, stereoscopic color fundus photography with both direct- and transillumination. Fundus images were digitally overlaid with a grading template and triangulated for foveal centration. We documented and stratified risk for each globe by applying the AREDS nine-step grading scale to the key clinical features from the MGS-9. We found a good distribution within the MGS categories (1-9) with few level eight globes. Eyes were processed within 12.1 ± 6.3, hours from the time of death through imaging, dissection, and freezing or fixation. Applying the MGS-9 to 331 pairs (662 eyes were simultaneously graded), 84% were within one-grading step and 93% within two steps of the fellow eye. We also document reticular pseudodrusen, basal laminar drusen, and pattern dystrophy. The MGS nine-step grading scale enables researchers using human tissue to refine the risk assessment of donor tissue. This analysis will harmonize results among researchers when grading human tissue using MGS criteria. Most importantly, the MGS-9 links directly to the known risk for progression from the AREDS.
NASA Technical Reports Server (NTRS)
Sellers, Piers
2012-01-01
Soil wetness typically shows great spatial variability over the length scales of general circulation model (GCM) grid areas (approx 100 km ), and the functions relating evapotranspiration and photosynthetic rate to local-scale (approx 1 m) soil wetness are highly non-linear. Soil respiration is also highly dependent on very small-scale variations in soil wetness. We therefore expect significant inaccuracies whenever we insert a single grid area-average soil wetness value into a function to calculate any of these rates for the grid area. For the particular case of evapotranspiration., this method - use of a grid-averaged soil wetness value - can also provoke severe oscillations in the evapotranspiration rate and soil wetness under some conditions. A method is presented whereby the probability distribution timction(pdf) for soil wetness within a grid area is represented by binning. and numerical integration of the binned pdf is performed to provide a spatially-integrated wetness stress term for the whole grid area, which then permits calculation of grid area fluxes in a single operation. The method is very accurate when 10 or more bins are used, can deal realistically with spatially variable precipitation, conserves moisture exactly and allows for precise modification of the soil wetness pdf after every time step. The method could also be applied to other ecological problems where small-scale processes must be area-integrated, or upscaled, to estimate fluxes over large areas, for example in treatments of the terrestrial carbon budget or trace gas generation.
Clinical Importance of Steps Taken per Day among Persons with Multiple Sclerosis
Motl, Robert W.; Pilutti, Lara A.; Learmonth, Yvonne C.; Goldman, Myla D.; Brown, Ted
2013-01-01
Background The number of steps taken per day (steps/day) provides a reliable and valid outcome of free-living walking behavior in persons with multiple sclerosis (MS). Objective This study examined the clinical meaningfulness of steps/day using the minimal clinically important difference (MCID) value across stages representing the developing impact of MS. Methods This study was a secondary analysis of de-identified data from 15 investigations totaling 786 persons with MS and 157 healthy controls. All participants provided demographic information and wore an accelerometer or pedometer during the waking hours of a 7-day period. Those with MS further provided real-life, health, and clinical information and completed the Multiple Sclerosis Walking Scale-12 (MSWS-12) and Patient Determined Disease Steps (PDDS) scale. MCID estimates were based on regression analyses and analysis of variance for between group differences. Results The mean MCID from self-report scales that capture subtle changes in ambulation (1-point change in PDSS scores and 10-point change in MSWS-12 scores) was 779 steps/day (14% of mean score for MS sample); the mean MCID for clinical/health outcomes (MS type, duration, weight status) was 1,455 steps/day (26% of mean score for MS sample); real-life anchors (unemployment, divorce, assistive device use) resulted in a mean MCID of 2,580 steps/day (45% of mean score for MS sample); and the MCID for the cumulative impact of MS (MS vs. control) was 2,747 steps/day (48% of mean score for MS sample). Conclusion The change in motion sensor output of ∼800 steps/day appears to represent a lower-bound estimate of clinically meaningful change in free-living walking behavior in interventions of MS. PMID:24023843
Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains.
Serebrinsky, Santiago A
2011-03-01
We rigorously establish a physical time scale for a general class of kinetic Monte Carlo algorithms for the simulation of continuous-time Markov chains. This class of algorithms encompasses rejection-free (or BKL) and rejection (or "standard") algorithms. For rejection algorithms, it was formerly considered that the availability of a physical time scale (instead of Monte Carlo steps) was empirical, at best. Use of Monte Carlo steps as a time unit now becomes completely unnecessary.
Schultz, Simon R; Copeland, Caroline S; Foust, Amanda J; Quicke, Peter; Schuck, Renaud
2017-01-01
Recent years have seen substantial developments in technology for imaging neural circuits, raising the prospect of large scale imaging studies of neural populations involved in information processing, with the potential to lead to step changes in our understanding of brain function and dysfunction. In this article we will review some key recent advances: improved fluorophores for single cell resolution functional neuroimaging using a two photon microscope; improved approaches to the problem of scanning active circuits; and the prospect of scanless microscopes which overcome some of the bandwidth limitations of current imaging techniques. These advances in technology for experimental neuroscience have in themselves led to technical challenges, such as the need for the development of novel signal processing and data analysis tools in order to make the most of the new experimental tools. We review recent work in some active topics, such as region of interest segmentation algorithms capable of demixing overlapping signals, and new highly accurate algorithms for calcium transient detection. These advances motivate the development of new data analysis tools capable of dealing with spatial or spatiotemporal patterns of neural activity, that scale well with pattern size.
Ricci, Clarisse G; Li, Bo; Cheng, Li-Tien; Dzubiella, Joachim; McCammon, J Andrew
2017-07-13
Solvation is a fundamental driving force in many biological processes including biomolecular recognition and self-assembly, not to mention protein folding, dynamics, and function. The variational implicit solvent method (VISM) is a theoretical tool currently developed and optimized to estimate solvation free energies for systems of very complex topology, such as biomolecules. VISM's theoretical framework makes it unique because it couples hydrophobic, van der Waals, and electrostatic interactions as a functional of the solvation interface. By minimizing this functional, VISM produces the solvation interface as an output of the theory. In this work, we push VISM to larger scale applications by combining it with coarse-grained solute Hamiltonians adapted from the MARTINI framework, a well-established mesoscale force field for modeling large-scale biomolecule assemblies. We show how MARTINI-VISM ( M VISM) compares with atomistic VISM ( A VISM) for a small set of proteins differing in size, shape, and charge distribution. We also demonstrate M VISM's suitability to study the solvation properties of an interesting encounter complex, barnase-barstar. The promising results suggest that coarse-graining the protein with the MARTINI force field is indeed a valuable step to broaden VISM's and MARTINI's applications in the near future.
NASA Astrophysics Data System (ADS)
Mostofi, Arash; Andrinopoulos, Lampros; Hine, Nicholas
2014-03-01
Fullerene molecular crystals are of technological promise for their use in heterojunction photovoltaic cells. An improved theoretical understanding of their structure and properties would be a step towards the rational design of new devices. Simulations based on density-functional theory (DFT) are invaluable for developing such insight, but standard semi-local functionals do not capture the important inter-molecular van der Waals (vdW) interactions in fullerene crystals. Furthermore the computational cost associated with the large unit cells needed are at the limit or beyond the capabilities of traditional DFT methods. In this work we overcome these limitations by using our implementation of a number of vdW-DFs in the ONETEP linear-scaling DFT code to study the structural properties of C60 molecular crystals. Powder neutron diffraction shows that the low-temperature Pa-3 phase is orientationally ordered with individual C60 units rotated around the [111] direction. We fully explore the energy landscape associated with the rotation angle and find two stable structures that are energetically very close, one of which corresponds to the experimentally observed structure. We further consider the effect of orientational disorder in very large supercells of thousands of atoms.
Schultz, Simon R.; Copeland, Caroline S.; Foust, Amanda J.; Quicke, Peter; Schuck, Renaud
2017-01-01
Recent years have seen substantial developments in technology for imaging neural circuits, raising the prospect of large scale imaging studies of neural populations involved in information processing, with the potential to lead to step changes in our understanding of brain function and dysfunction. In this article we will review some key recent advances: improved fluorophores for single cell resolution functional neuroimaging using a two photon microscope; improved approaches to the problem of scanning active circuits; and the prospect of scanless microscopes which overcome some of the bandwidth limitations of current imaging techniques. These advances in technology for experimental neuroscience have in themselves led to technical challenges, such as the need for the development of novel signal processing and data analysis tools in order to make the most of the new experimental tools. We review recent work in some active topics, such as region of interest segmentation algorithms capable of demixing overlapping signals, and new highly accurate algorithms for calcium transient detection. These advances motivate the development of new data analysis tools capable of dealing with spatial or spatiotemporal patterns of neural activity, that scale well with pattern size. PMID:28757657
A Mixing Length Scale of Unlike Impinging Jets
NASA Astrophysics Data System (ADS)
Inoue, Chihiro; Fujii, Go; Daimon, Yu
2017-11-01
Bi-propellant thrusters in space propulsion systems often utilize unlike-doublet or triplet injectors. The impingement of hypergolic liquid jet streams of fuel and oxidizer involves the expanding sheet, droplet fragmentation, mixing, evaporation, and chemical reactions in liquid and gas phases, in which the rate controlling phenomenon is the mixing step. In this study, a defined length scale demonstrates the distribution of fuel and oxidizer, and therefore, represents their mixing states, allowing for providing a physical meaning of widely accepted practical indicator, so called Rupe factor, over half a century of injector design history. We concisely formulate the characteristic velocity in a consistent manner for doublet and triplet injectors as a function of propellant injection conditions. The validity of the present formulation is convinced by comparing with hot firing tests.
Survey of methods of facial palsy documentation in use by members of the Sir Charles Bell Society.
Fattah, Adel Y; Gavilan, Javier; Hadlock, Tessa A; Marcus, Jeffrey R; Marres, Henri; Nduka, Charles; Slattery, William H; Snyder-Warwick, Alison K
2014-10-01
Facial palsy manifests a broad array of deficits affecting function, form, and psychological well-being. Assessment scales were introduced to standardize and document the features of facial palsy and to facilitate the exchange of information and comparison of outcomes. The aim of this study was to determine which assessment methodologies are currently employed by those involved in the care of patients with facial palsy as a first step toward the development of consensus on the appropriate assessments for this patient population. Online questionnaire. The Sir Charles Bell Society, a group of professionals dedicated to the care of patients with facial palsy, were surveyed to determine the scales used to document facial nerve function, patient reported outcome measures (PROM), and photographic documentation. Fifty-five percent of the membership responded (n = 83). Grading scales were used by 95%, most commonly the House-Brackmann and Sunnybrook scales. PROMs were used by 58%, typically the Facial Clinimetric Evaluation scale or Facial Disability Index. All used photographic recordings, but variability existed among the facial expressions used. Videography was performed by 82%, and mostly involved the same views as still photography; it was also used to document spontaneous movement and speech. Three-dimensional imaging was employed by 18% of respondents. There exists significant heterogeneity in assessments among clinicians, which impedes straightforward comparisons of outcomes following recovery and intervention. Widespread adoption of structured assessments, including scales, PROMs, photography, and videography, will facilitate communication and comparison among those who study the effects of interventions on this population. © 2014 The American Laryngological, Rhinological and Otological Society, Inc.
NASA Astrophysics Data System (ADS)
Vanderborght, Jan; Priesack, Eckart
2017-04-01
The Soil Model Development and Intercomparison Panel (SoilMIP) is an initiative of the International Soil Modeling Consortium. Its mission is to foster the further development of soil models that can predict soil functions and their changes (i) due to soil use and land management and (ii) due to external impacts of climate change and pollution. Since soil functions and soil threats are diverse but linked with each other, the overall aim is to develop holistic models that represent the key functions of the soil system and the links between them. These models should be scaled up and integrated in terrestrial system models that describe the feedbacks between processes in the soil and the other terrestrial compartments. We propose and illustrate a few steps that could be taken to achieve these goals. A first step is the development of scenarios that compare simulations by models that predict the same or different soil services. Scenarios can be considered at three different levels of comparisons: scenarios that compare the numerics (accuracy but also speed) of models, scenarios that compare the effect of differences in process descriptions, and scenarios that compare simulations with experimental data. A second step involves the derivation of metrics or summary statistics that effectively compare model simulations and disentangle parameterization from model concept differences. These metrics can be used to evaluate how more complex model simulations can be represented by simpler models using an appropriate parameterization. A third step relates to the parameterization of models. Application of simulation models implies that appropriate model parameters have to be defined for a range of environmental conditions and locations. Spatial modelling approaches are used to derive parameter distributions. Considering that soils and their properties emerge from the interaction between physical, chemical and biological processes, the combination of spatial models with process models would lead to consistent parameter distributions correlations and could potentially represent self-organizing processes in soils and landscapes.
Step-by-step integration for fractional operators
NASA Astrophysics Data System (ADS)
Colinas-Armijo, Natalia; Di Paola, Mario
2018-06-01
In this paper, an approach based on the definition of the Riemann-Liouville fractional operators is proposed in order to provide a different discretisation technique as alternative to the Grünwald-Letnikov operators. The proposed Riemann-Liouville discretisation consists of performing step-by-step integration based upon the discretisation of the function f(t). It has been shown that, as f(t) is discretised as stepwise or piecewise function, the Riemann-Liouville fractional integral and derivative are governing by operators very similar to the Grünwald-Letnikov operators. In order to show the accuracy and capabilities of the proposed Riemann-Liouville discretisation technique and the Grünwald-Letnikov discrete operators, both techniques have been applied to: unit step functions, exponential functions and sample functions of white noise.
Multipurpose silicon photonics signal processor core.
Pérez, Daniel; Gasulla, Ivana; Crudgington, Lee; Thomson, David J; Khokhar, Ali Z; Li, Ke; Cao, Wei; Mashanovich, Goran Z; Capmany, José
2017-09-21
Integrated photonics changes the scaling laws of information and communication systems offering architectural choices that combine photonics with electronics to optimize performance, power, footprint, and cost. Application-specific photonic integrated circuits, where particular circuits/chips are designed to optimally perform particular functionalities, require a considerable number of design and fabrication iterations leading to long development times. A different approach inspired by electronic Field Programmable Gate Arrays is the programmable photonic processor, where a common hardware implemented by a two-dimensional photonic waveguide mesh realizes different functionalities through programming. Here, we report the demonstration of such reconfigurable waveguide mesh in silicon. We demonstrate over 20 different functionalities with a simple seven hexagonal cell structure, which can be applied to different fields including communications, chemical and biomedical sensing, signal processing, multiprocessor networks, and quantum information systems. Our work is an important step toward this paradigm.Integrated optical circuits today are typically designed for a few special functionalities and require complex design and development procedures. Here, the authors demonstrate a reconfigurable but simple silicon waveguide mesh with different functionalities.
Asymptotic One-Point Functions in Gauge-String Duality with Defects.
Buhl-Mortensen, Isak; de Leeuw, Marius; Ipsen, Asger C; Kristjansen, Charlotte; Wilhelm, Matthias
2017-12-29
We take the first step in extending the integrability approach to one-point functions in AdS/dCFT to higher loop orders. More precisely, we argue that the formula encoding all tree-level one-point functions of SU(2) operators in the defect version of N=4 supersymmetric Yang-Mills theory, dual to the D5-D3 probe-brane system with flux, has a natural asymptotic generalization to higher loop orders. The asymptotic formula correctly encodes the information about the one-loop correction to the one-point functions of nonprotected operators once dressed by a simple flux-dependent factor, as we demonstrate by an explicit computation involving a novel object denoted as an amputated matrix product state. Furthermore, when applied to the Berenstein-Maldacena-Nastase vacuum state, the asymptotic formula gives a result for the one-point function which in a certain double-scaling limit agrees with that obtained in the dual string theory up to wrapping order.
Pfeffer, Jan; Freund, Andreas; Bel-Rhlid, Rachid; Hansen, Carl-Erik; Reuss, Matthias; Schmid, Rolf D; Maurer, Steffen C
2007-10-01
We report here a two-step process for the high-yield enzymatic synthesis of 2-monoacylglycerides (2-MAG) of saturated as well as unsaturated fatty acids with different chain lengths. The process consists of two steps: first the unselective esterification of fatty acids and glycerol leading to a triacylglyceride followed by an sn1,3-selective alcoholysis reaction yielding 2-monoacylglycerides. Remarkably, both steps can be catalyzed by lipase B from Candida antarctica (CalB). The whole process including esterification and alcoholysis was scaled up in a miniplant to a total volume of 10 l. With this volume, a two-step process catalyzed by CalB for the synthesis of 1,3-oleoyl-2-palmitoylglycerol (OPO) using tripalmitate as starting material was established. On a laboratory scale, we obtained gram quantities of the synthesized 2-monoacylglycerides of polyunsaturated fatty acids such as arachidonic-, docosahexaenoic- and eicosapentaenoic acids and up to 96.4% of the theoretically possible yield with 95% purity. On a technical scale (>100 g of product, >5 l of reaction volume), 97% yield was reached in the esterification and 73% in the alcoholysis and a new promising process for the enzymatic synthesis of OPO was established.
Serel Arslan, S; Demir, N; Karaduman, A A
2017-02-01
This study aimed to develop a scale called Tongue Thrust Rating Scale (TTRS), which categorised tongue thrust in children in terms of its severity during swallowing, and to investigate its validity and reliability. The study describes the developmental phase of the TTRS and presented its content and criterion-based validity and interobserver and intra-observer reliability. For content validation, seven experts assessed the steps in the scale over two Delphi rounds. Two physical therapists evaluated videos of 50 children with cerebral palsy (mean age, 57·9 ± 16·8 months), using the TTRS to test criterion-based validity, interobserver and intra-observer reliability. The Karaduman Chewing Performance Scale (KCPS) and Drooling Severity and Frequency Scale (DSFS) were used for criterion-based validity. All the TTRS steps were deemed necessary. The content validity index was 0·857. A very strong positive correlation was found between two examinations by one physical therapist, which indicated intra-observer reliability (r = 0·938, P < 0·001). A very strong positive correlation was also found between the TTRS scores of two physical therapists, indicating interobserver reliability (r = 0·892, P < 0·001). There was also a strong positive correlation between the TTRS and KCPS (r = 0·724, P < 0·001) and a very strong positive correlation between the TTRS scores and DSFS (r = 0·822 and r = 0·755; P < 0·001). These results demonstrated the criterion-based validity of the TTRS. The TTRS is a valid, reliable and clinically easy-to-use functional instrument to document the severity of tongue thrust in children. © 2016 John Wiley & Sons Ltd.
Hadronic production of Bs(*) at the Tevatron and LHC
NASA Astrophysics Data System (ADS)
Zhang, Jia-Wei; Fang, Zhen-Yun; Chang, Chao-Hsi; Wu, Xing-Gang; Zhong, Tao; Yu, Yao
2009-06-01
We study the hadronic production of Bs and Bs* mesons within the fixed-flavor-number scheme, in which the dominant gluon-gluon fusion mechanism is dealt with by using the complete αs4 approach. Main theoretical uncertainties for Bs and Bs* production at the Tevatron and LHC are presented. It is found that when ms increases by steps of 0.1 GeV, the integrated cross section of Bs(*) decreases by 80%-100%. When mb increases by steps of 0.1 GeV, it changes by ˜10%, while the uncertainties caused by the parton distribution function and the factorization scale vary within the region of (1)/(5) to (1)/(3). Considering a possible kinematic cut on the transverse momentum and the rapidity cut for the detectors at the Tevatron and LHC, we also make estimations on the Bs and Bs* production with various kinematic cuts.
NASA Astrophysics Data System (ADS)
Dentoni Litta, Eugenio; Ritzenthaler, Romain; Schram, Tom; Spessot, Alessio; O’Sullivan, Barry; Machkaoutsan, Vladimir; Fazan, Pierre; Ji, Yunhyuck; Mannaert, Geert; Lorant, Christophe; Sebaai, Farid; Thiam, Arame; Ercken, Monique; Demuynck, Steven; Horiguchi, Naoto
2018-04-01
Integration of high-k/metal gate stacks in peripheral transistors is a major candidate to ensure continued scaling of dynamic random access memory (DRAM) technology. In this paper, the CMOS integration of diffusion and gate replacement (D&GR) high-k/metal gate stacks is investigated, evaluating four different approaches for the critical patterning step of removing the N-type field effect transistor (NFET) effective work function (eWF) shifter stack from the P-type field effect transistor (PFET) area. The effect of plasma exposure during the patterning step is investigated in detail and found to have a strong impact on threshold voltage tunability. A CMOS integration scheme based on an experimental wet-compatible photoresist is developed and the fulfillment of the main device metrics [equivalent oxide thickness (EOT), eWF, gate leakage current density, on/off currents, short channel control] is demonstrated.
Study on constant-step stress accelerated life tests in white organic light-emitting diodes.
Zhang, J P; Liu, C; Chen, X; Cheng, G L; Zhou, A X
2014-11-01
In order to obtain reliability information for a white organic light-emitting diode (OLED), two constant and one step stress tests were conducted with its working current increased. The Weibull function was applied to describe the OLED life distribution, and the maximum likelihood estimation (MLE) and its iterative flow chart were used to calculate shape and scale parameters. Furthermore, the accelerated life equation was determined using the least squares method, a Kolmogorov-Smirnov test was performed to assess if the white OLED life follows a Weibull distribution, and self-developed software was used to predict the average and the median lifetimes of the OLED. The numerical results indicate that white OLED life conforms to a Weibull distribution, and that the accelerated life equation completely satisfies the inverse power law. The estimated life of a white OLED may provide significant guidelines for its manufacturers and customers. Copyright © 2014 John Wiley & Sons, Ltd.
Organic core-sheath nanowire artificial synapses with femtojoule energy consumption.
Xu, Wentao; Min, Sung-Yong; Hwang, Hyunsang; Lee, Tae-Woo
2016-06-01
Emulation of biological synapses is an important step toward construction of large-scale brain-inspired electronics. Despite remarkable progress in emulating synaptic functions, current synaptic devices still consume energy that is orders of magnitude greater than do biological synapses (~10 fJ per synaptic event). Reduction of energy consumption of artificial synapses remains a difficult challenge. We report organic nanowire (ONW) synaptic transistors (STs) that emulate the important working principles of a biological synapse. The ONWs emulate the morphology of nerve fibers. With a core-sheath-structured ONW active channel and a well-confined 300-nm channel length obtained using ONW lithography, ~1.23 fJ per synaptic event for individual ONW was attained, which rivals that of biological synapses. The ONW STs provide a significant step toward realizing low-energy-consuming artificial intelligent electronics and open new approaches to assembling soft neuromorphic systems with nanometer feature size.
Crystallization kinetics of the borax decahydrate
NASA Astrophysics Data System (ADS)
Ceyhan, A. A.; Sahin, Ö.; Bulutcu, A. N.
2007-03-01
The growth and dissolution rates of borax decahydrate have been measured as a function of supersaturation for various particle sizes at different temperature ranges of 13 and 50 °C in a laboratory-scale fluidized bed crystallizer. The values of mass transfer coefficient, K, reaction rate constant, kr and reaction rate order, r were determined. The relative importances of diffusion and integration resistance were described by new terms named integration and diffusion concentration fraction. It was found that the overall growth rate of borax decahydrate is mainly controlled by integration (reaction) steps. It was also estimated that the dissolution region of borax decahydrate, apart from other materials, is controlled by diffusion and surface reaction. Increasing the temperature and particle size cause an increase in the values of kinetic parameters ( Kg, kr and K). The activation energies of overall, reaction and mass transfer steps were determined as 18.07, 18.79 and 8.26 kJmol -1, respectively.
McGarvey, Daniel J.; Falke, Jeffrey A.; Li, Hiram W.; Li, Judith; Hauer, F. Richard; Lamberti, G.A.
2017-01-01
Methods to sample fishes in stream ecosystems and to analyze the raw data, focusing primarily on assemblage-level (all fish species combined) analyses, are presented in this chapter. We begin with guidance on sample site selection, permitting for fish collection, and information-gathering steps to be completed prior to conducting fieldwork. Basic sampling methods (visual surveying, electrofishing, and seining) are presented with specific instructions for estimating population sizes via visual, capture-recapture, and depletion surveys, in addition to new guidance on environmental DNA (eDNA) methods. Steps to process fish specimens in the field including the use of anesthesia and preservation of whole specimens or tissue samples (for genetic or stable isotope analysis) are also presented. Data analysis methods include characterization of size-structure within populations, estimation of species richness and diversity, and application of fish functional traits. We conclude with three advanced topics in assemblage-level analysis: multidimensional scaling (MDS), ecological networks, and loop analysis.
NASA Astrophysics Data System (ADS)
Qiao, Jia-Bin; Gong, Yue; Zuo, Wei-Jie; Wei, Yi-Cong; Ma, Dong-Lin; Yang, Hong; Yang, Ning; Qiao, Kai-Yao; Shi, Jin-An; Gu, Lin; He, Lin
2017-05-01
Assembling different two-dimensional (2D) crystals, covering a very broad range of properties, into van der Waals (vdW) heterostructures enables unprecedented possibilities for combining the best of different ingredients in one objective material. So far, metallic, semiconducting, and insulating 2D crystals have been used successfully in making functional vdW heterostructures with properties by design. Here, we expand 2D superconducting crystals as a building block of vdW hererostructures. One-step growth of large-scale high-quality vdW heterostructures of graphene and 2D superconducting α -M o2C by using chemical vapor deposition is reported. The superconductivity and its 2D nature of the heterostructures are characterized by our scanning tunneling microscopy measurements. This adds 2D superconductivity, the most attractive property of condensed matter physics, to vdW heterostructures.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Hao; Guo, Zhiguang, E-mail: zguo@licp.cas.cn; State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000
Self-cleaning properties inspired by the structures and functions of some creatures are of great interest since the late 20th century. In this paper, TiO{sub 2} coatings with hierarchical rutile TiO{sub 2} flowers on fluorine-doped tin oxide substrate are fabricated through a simple one-step hydrothermal method. The flower-like coatings exhibit superhydrophilicity in air and superoleophobicity underwater with a contact angle as high as 157°, presenting good underwater self-cleaning performance. In addition, when contaminated by oleic acid, the as-prepared TiO{sub 2} coatings also exhibit excellent photocatalytic capability under ultraviolet irradiation, which demonstrated self-cleaning properties in a different way. This self-cleaning film providesmore » a good strategy for some industrial and ocean applications.« less
van der Woude, Aniek D; Perez Gallego, Ruth; Vreugdenhil, Angie; Puthan Veetil, Vinod; Chroumpi, Tania; Hellingwerf, Klaas J
2016-04-08
Erythritol is a polyol that is used in the food and beverage industry. Due to its non-caloric and non-cariogenic properties, the popularity of this sweetener is increasing. Large scale production of erythritol is currently based on conversion of glucose by selected fungi. In this study, we describe a biotechnological process to produce erythritol from light and CO2, using engineered Synechocystis sp. PCC6803. By functionally expressing codon-optimized genes encoding the erythrose-4-phosphate phosphatase TM1254 and the erythrose reductase Gcy1p, or GLD1, this cyanobacterium can directly convert the Calvin cycle intermediate erythrose-4-phosphate into erythritol via a two-step process and release the polyol sugar in the extracellular medium. Further modifications targeted enzyme expression and pathway intermediates. After several optimization steps, the best strain, SEP024, produced up to 2.1 mM (256 mg/l) erythritol, excreted in the medium.
NASA Technical Reports Server (NTRS)
Shen, Zheng (Inventor); Huang, Norden Eh (Inventor)
2003-01-01
A computer implemented physical signal analysis method is includes two essential steps and the associated presentation techniques of the results. All the steps exist only in a computer: there are no analytic expressions resulting from the method. The first step is a computer implemented Empirical Mode Decomposition to extract a collection of Intrinsic Mode Functions (IMF) from nonlinear, nonstationary physical signals based on local extrema and curvature extrema. The decomposition is based on the direct extraction of the energy associated with various intrinsic time scales in the physical signal. Expressed in the IMF's, they have well-behaved Hilbert Transforms from which instantaneous frequencies can be calculated. The second step is the Hilbert Transform. The final result is the Hilbert Spectrum. Thus, the invention can localize any event on the time as well as the frequency axis. The decomposition can also be viewed as an expansion of the data in terms of the IMF's. Then, these IMF's, based on and derived from the data, can serve as the basis of that expansion. The local energy and the instantaneous frequency derived from the IMF's through the Hilbert transform give a full energy-frequency-time distribution of the data which is designated as the Hilbert Spectrum.
Scale converters. [Dissolution of scale deposits
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rybacki, R.L.
1979-04-03
A water-soluble maleate salt, preferably disodium maleate, is described as a scale solubilizer. Such salts convert scale into a water-soluble compound without the conventional step of employing either an acid wash or a sequestering agent. 10 claims.
Michael, Kathleen; Goldberg, Andrew P.; Treuth, Margarita S.; Beans, Jeffrey; Normandt, Peter; Macko, Richard F.
2010-01-01
Purpose We conducted a noncontrolled pilot intervention study in stroke survivors to examine the efficacy of low-intensity adaptive physical activity to increase balance, improve walking function, and increase cardiovascular fitness and to determine whether improvements were carried over into activity profiles in home and community. Method Adaptive physical activity sessions were conducted 3 times/week for 6 months. The main outcomes were Berg Balance Scale, Dynamic Gait Index, 6-Minute Walk Test, cardiovascular fitness (VO2 peak), Falls Efficacy Scale, and 5-day Step Activity Monitoring. Results Seven men and women with chronic ischemic stroke completed the 6-month intervention. The mean Berg Balance baseline score increased from 33.9 ± 8.5 to 46 ± 6.7 at 6 months (mean ± SD; p = .006). Dynamic Gait Index increased from 13.7 ± 3.0 to 19.0 ± 3.5 (p = .01). Six-minute walk distance increased from 840 ± 110 feet to 935 ± 101 feet (p = 0.02). VO2 peak increased from 15.3 ± 4.1 mL/kg/min to 17.5 ± 4.7 mL/kg/min (p = .03). There were no significant changes in falls efficacy or free-living ambulatory activity. Conclusion A structured adaptive physical activity produces improvements in balance, gait, fitness, and ambulatory performance but not in falls efficacy or free-living daily step activity. Randomized studies are needed to determine the cardiovascular health and functional benefits of structured group physical activity programs and to develop behavioral interventions that promote increased free-living physical activity patterns. PMID:19581199
Integrated inference and evaluation of host–fungi interaction networks
Remmele, Christian W.; Luther, Christian H.; Balkenhol, Johannes; Dandekar, Thomas; Müller, Tobias; Dittrich, Marcus T.
2015-01-01
Fungal microorganisms frequently lead to life-threatening infections. Within this group of pathogens, the commensal Candida albicans and the filamentous fungus Aspergillus fumigatus are by far the most important causes of invasive mycoses in Europe. A key capability for host invasion and immune response evasion are specific molecular interactions between the fungal pathogen and its human host. Experimentally validated knowledge about these crucial interactions is rare in literature and even specialized host–pathogen databases mainly focus on bacterial and viral interactions whereas information on fungi is still sparse. To establish large-scale host–fungi interaction networks on a systems biology scale, we develop an extended inference approach based on protein orthology and data on gene functions. Using human and yeast intraspecies networks as template, we derive a large network of pathogen–host interactions (PHI). Rigorous filtering and refinement steps based on cellular localization and pathogenicity information of predicted interactors yield a primary scaffold of fungi–human and fungi–mouse interaction networks. Specific enrichment of known pathogenicity-relevant genes indicates the biological relevance of the predicted PHI. A detailed inspection of functionally relevant subnetworks reveals novel host–fungal interaction candidates such as the Candida virulence factor PLB1 and the anti-fungal host protein APP. Our results demonstrate the applicability of interolog-based prediction methods for host–fungi interactions and underline the importance of filtering and refinement steps to attain biologically more relevant interactions. This integrated network framework can serve as a basis for future analyses of high-throughput host–fungi transcriptome and proteome data. PMID:26300851
Asymptotics of bivariate generating functions with algebraic singularities
NASA Astrophysics Data System (ADS)
Greenwood, Torin
Flajolet and Odlyzko (1990) derived asymptotic formulae the coefficients of a class of uni- variate generating functions with algebraic singularities. Gao and Richmond (1992) and Hwang (1996, 1998) extended these results to classes of multivariate generating functions, in both cases by reducing to the univariate case. Pemantle and Wilson (2013) outlined new multivariate ana- lytic techniques and used them to analyze the coefficients of rational generating functions. After overviewing these methods, we use them to find asymptotic formulae for the coefficients of a broad class of bivariate generating functions with algebraic singularities. Beginning with the Cauchy integral formula, we explicity deform the contour of integration so that it hugs a set of critical points. The asymptotic contribution to the integral comes from analyzing the integrand near these points, leading to explicit asymptotic formulae. Next, we use this formula to analyze an example from current research. In the following chapter, we apply multivariate analytic techniques to quan- tum walks. Bressler and Pemantle (2007) found a (d + 1)-dimensional rational generating function whose coefficients described the amplitude of a particle at a position in the integer lattice after n steps. Here, the minimal critical points form a curve on the (d + 1)-dimensional unit torus. We find asymptotic formulae for the amplitude of a particle in a given position, normalized by the number of steps n, as n approaches infinity. Each critical point contributes to the asymptotics for a specific normalized position. Using Groebner bases in Maple again, we compute the explicit locations of peak amplitudes. In a scaling window of size the square root of n near the peaks, each amplitude is asymptotic to an Airy function.
Barton, C J; Menz, H B; Crossley, K M
2011-03-01
Patellofemoral pain syndrome (PFPS) often results in reduced functional performance. There is growing evidence for the use of foot orthoses to treat this multifactorial condition. In this study, the immediate effects of foot orthoses on functional performance and the association of foot posture and footwear with improvements in function were evaluated. Fifty-two individuals with PFPS (18-35 years) were prescribed prefabricated foot orthoses (Vasyli Pro; Vasyli International, Labrador, Australia). Functional outcome measures evaluated included the change in (1) pain and (2) ease of a single-leg squat on a five-point Likert scale, and change in the number of (3) pain-free step downs and (4) single-leg rises from sitting. The association of foot posture using the Foot Posture Index, navicular drop and calcaneal angle relative to subtalar joint neutral; and the footwear motion control properties scale score with improved function were evaluated using Spearman's ρ statistics. Prefabricated foot orthoses produced significant improvements (p<0.05) for all functional outcome measures. A more pronated foot type and poorer footwear motion control properties were found to be associated with reduced pain during the single-leg squat and improvements in the number of pain-free single-leg rises from sitting when wearing foot orthoses. In addition, a more pronated foot type was also found to be associated with improved ease of completing a single-leg squat when wearing foot orthoses. Prefabricated foot orthoses provide immediate improvements in functional performance, and these improvements are associated with a more pronated foot type and poorer footwear motion control properties.
New Computer Simulations of Macular Neural Functioning
NASA Technical Reports Server (NTRS)
Ross, Muriel D.; Doshay, D.; Linton, S.; Parnas, B.; Montgomery, K.; Chimento, T.
1994-01-01
We use high performance graphics workstations and supercomputers to study the functional significance of the three-dimensional (3-D) organization of gravity sensors. These sensors have a prototypic architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scaled-up, 3-D versions run on a Cray Y-MP supercomputer. A semi-automated method of reconstruction of neural tissue from serial sections studied in a transmission electron microscope has been developed to eliminate tedious conventional photography. The reconstructions use a mesh as a step in generating a neural surface for visualization. Two meshes are required to model calyx surfaces. The meshes are connected and the resulting prisms represent the cytoplasm and the bounding membranes. A finite volume analysis method is employed to simulate voltage changes along the calyx in response to synapse activation on the calyx or on calyceal processes. The finite volume method insures that charge is conserved at the calyx-process junction. These and other models indicate that efferent processes act as voltage followers, and that the morphology of some afferent processes affects their functioning. In a final application, morphological information is symbolically represented in three dimensions in a computer. The possible functioning of the connectivities is tested using mathematical interpretations of physiological parameters taken from the literature. Symbolic, 3-D simulations are in progress to probe the functional significance of the connectivities. This research is expected to advance computer-based studies of macular functioning and of synaptic plasticity.
Physical activity and physical function changes in obese individuals after gastric bypass surgery.
Josbeno, Deborah A; Jakicic, John M; Hergenroeder, Andrea; Eid, George M
2010-01-01
Little is known about the effects of gastric bypass surgery (GBS) on physical activity and physical function. We examined the physical activity, physical function, psychosocial correlates to physical activity participation, and health-related quality of life of patients before and after GBS. A total of 20 patients were assessed before and 3 months after GBS. Physical activity was assessed using the 7-day physical activity recall questionnaire and a pedometer worn for 7 days. Physical function was assessed using the 6-minute walk test, Short Physical Performance Battery, and the physical function subscale of the Medical Outcomes Short Form-36 (SF-36). The Physical Activity Self-Efficacy questionnaire, the Physical Activity Barriers and Outcome Expectations questionnaire, the SF-36, and the Numeric Pain Rating Scale were also administered. Physical activity did not significantly increase from before (191.1 +/- 228.23 min/wk) to after (231.7 +/- 230.04 min/wk) GBS (n = 18); however, the average daily steps did significantly increase (from 4621 +/- 3701 to 7370 +/- 4240 steps/d; n = 11). The scores for the 6-minute walk test (393 +/- 62.08 m to 446 +/- 41.39 m; n = 17), Short Physical Performance Battery (11.2 +/- 1.22 to 11.7 +/- .57; n = 18), physical function subscale of the SF-36 (65 +/- 18.5 to 84.1 +/- 19.9), and the total SF-36 (38.2 +/- 23.58 to 89.7 +/- 15.5; n = 17) increased significantly. The Numeric Pain Rating Scale score decreased significantly for low back (3.5 +/- 1.8 to 1.7 +/- 2.63), knee (2.4 +/- 2.51 to 1.0 +/- 1.43), and foot/ankle (2.3 +/- 2.8 to 0.9 +/- 2.05) pain. No significant changes were found in the Physical Activity Self-Efficacy questionnaire or the Physical Activity Barriers and Outcome Expectations questionnaire. GBS improves physical function, health-related quality of life, and self-reported pain and results in a modest improvement in physical activity. These are important clinical benefits of surgical weight loss. Long-term follow-up is needed to quantify the ability to sustain or further improve these important clinical outcomes. Copyright 2010 American Society for Metabolic and Bariatric Surgery. All rights reserved.
Atomic-scale defects and electronic properties of a transferred synthesized MoS2 monolayer
NASA Astrophysics Data System (ADS)
Delač Marion, Ida; Čapeta, Davor; Pielić, Borna; Faraguna, Fabio; Gallardo, Aurelio; Pou, Pablo; Biel, Blanca; Vujičić, Nataša; Kralj, Marko
2018-07-01
MoS2 monolayer samples were synthesized on a SiO2/Si wafer and transferred to Ir(111) for nano-scale characterization. The samples were extensively characterized during every step of the transfer process, and MoS2 on the final substrate was examined down to the atomic level by scanning tunneling microscopy (STM). The procedures conducted yielded high-quality monolayer MoS2 of milimeter-scale size with an average defect density of 2 × 1013 cm–2. The lift-off from the growth substrate was followed by a release of the tensile strain, visible in a widening of the optical band gap measured by photoluminescence. Subsequent transfer to the Ir(111) surface led to a strong drop of this optical signal but without further shifts of characteristic peaks. The electronic band gap was measured by scanning tunneling spectroscopy (STS), revealing n-doping and lateral nano-scale variations. The combined use of STM imaging and density functional theory (DFT) calculations allows us to identify the most recurring point-like defects as S vacancies.
Atomic-scale defects and electronic properties of a transferred synthesized MoS2 monolayer.
Delač Marion, Ida; Čapeta, Davor; Pielić, Borna; Faraguna, Fabio; Gallardo, Aurelio; Pou, Pablo; Biel, Blanca; Vujičić, Nataša; Kralj, Marko
2018-07-27
MoS 2 monolayer samples were synthesized on a SiO 2 /Si wafer and transferred to Ir(111) for nano-scale characterization. The samples were extensively characterized during every step of the transfer process, and MoS 2 on the final substrate was examined down to the atomic level by scanning tunneling microscopy (STM). The procedures conducted yielded high-quality monolayer MoS 2 of milimeter-scale size with an average defect density of 2 × 10 13 cm -2 . The lift-off from the growth substrate was followed by a release of the tensile strain, visible in a widening of the optical band gap measured by photoluminescence. Subsequent transfer to the Ir(111) surface led to a strong drop of this optical signal but without further shifts of characteristic peaks. The electronic band gap was measured by scanning tunneling spectroscopy (STS), revealing n-doping and lateral nano-scale variations. The combined use of STM imaging and density functional theory (DFT) calculations allows us to identify the most recurring point-like defects as S vacancies.
Effects of topology on network evolution
NASA Astrophysics Data System (ADS)
Oikonomou, Panos; Cluzel, Philippe
2006-08-01
The ubiquity of scale-free topology in nature raises the question of whether this particular network design confers an evolutionary advantage. A series of studies has identified key principles controlling the growth and the dynamics of scale-free networks. Here, we use neuron-based networks of boolean components as a framework for modelling a large class of dynamical behaviours in both natural and artificial systems. Applying a training algorithm, we characterize how networks with distinct topologies evolve towards a pre-established target function through a process of random mutations and selection. We find that homogeneous random networks and scale-free networks exhibit drastically different evolutionary paths. Whereas homogeneous random networks accumulate neutral mutations and evolve by sparse punctuated steps, scale-free networks evolve rapidly and continuously. Remarkably, this latter property is robust to variations of the degree exponent. In contrast, homogeneous random networks require a specific tuning of their connectivity to optimize their ability to evolve. These results highlight an organizing principle that governs the evolution of complex networks and that can improve the design of engineered systems.
Functional-to-form mapping for assembly design automation
NASA Astrophysics Data System (ADS)
Xu, Z. G.; Liu, W. M.; Shen, W. D.; Yang, D. Y.; Liu, T. T.
2017-11-01
Assembly-level function-to-form mapping is the most effective procedure towards design automation. The research work mainly includes: the assembly-level function definitions, product network model and the two-step mapping mechanisms. The function-to-form mapping is divided into two steps, i.e. mapping of function-to-behavior, called the first-step mapping, and the second-step mapping, i.e. mapping of behavior-to-structure. After the first step mapping, the three dimensional transmission chain (or 3D sketch) is studied, and the feasible design computing tools are developed. The mapping procedure is relatively easy to be implemented interactively, but, it is quite difficult to finish it automatically. So manual, semi-automatic, automatic and interactive modification of the mapping model are studied. A mechanical hand F-F mapping process is illustrated to verify the design methodologies.
Automatic segmentation of psoriasis lesions
NASA Astrophysics Data System (ADS)
Ning, Yang; Shi, Chenbo; Wang, Li; Shu, Chang
2014-10-01
The automatic segmentation of psoriatic lesions is widely researched these years. It is an important step in Computer-aid methods of calculating PASI for estimation of lesions. Currently those algorithms can only handle single erythema or only deal with scaling segmentation. In practice, scaling and erythema are often mixed together. In order to get the segmentation of lesions area - this paper proposes an algorithm based on Random forests with color and texture features. The algorithm has three steps. The first step, the polarized light is applied based on the skin's Tyndall-effect in the imaging to eliminate the reflection and Lab color space are used for fitting the human perception. The second step, sliding window and its sub windows are used to get textural feature and color feature. In this step, a feature of image roughness has been defined, so that scaling can be easily separated from normal skin. In the end, Random forests will be used to ensure the generalization ability of the algorithm. This algorithm can give reliable segmentation results even the image has different lighting conditions, skin types. In the data set offered by Union Hospital, more than 90% images can be segmented accurately.
Kurz, Ilan; Gimmon, Yoav; Shapiro, Amir; Debi, Ronen; Snir, Yoram; Melzer, Itshak
2016-03-04
Falls are common among elderly, most of them occur while slipping or tripping during walking. We aimed to explore whether a training program that incorporates unexpected loss of balance during walking able to improve risk factors for falls. In a double-blind randomized controlled trial 53 community dwelling older adults (age 80.1±5.6 years), were recruited and randomly allocated to an intervention group (n = 27) or a control group (n = 26). The intervention group received 24 training sessions over 3 months that included unexpected perturbation of balance exercises during treadmill walking. The control group performed treadmill walking with no perturbations. The primary outcome measures were the voluntary step execution times, traditional postural sway parameters and Stabilogram-Diffusion Analysis. The secondary outcome measures were the fall efficacy Scale (FES), self-reported late life function (LLFDI), and Performance-Oriented Mobility Assessment (POMA). Compared to control, participation in intervention program that includes unexpected loss of balance during walking led to faster Voluntary Step Execution Times under single (p = 0.002; effect size [ES] =0.75) and dual task (p = 0.003; [ES] = 0.89) conditions; intervention group subjects showed improvement in Short-term Effective diffusion coefficients in the mediolateral direction of the Stabilogram-Diffusion Analysis under eyes closed conditions (p = 0.012, [ES] = 0.92). Compared to control there were no significant changes in FES, LLFDI, and POMA. An intervention program that includes unexpected loss of balance during walking can improve voluntary stepping times and balance control, both previously reported as risk factors for falls. This however, did not transferred to a change self-reported function and FES. ClinicalTrials.gov NCT01439451 .
Smink, Agnes J; van den Ende, Cornelia H M; Vliet Vlieland, Thea P M; Bijlsma, Johannes W J; Swierstra, Bart A; Kortland, Joke H; Voorn, Theo B; Teerenstra, Steven; Schers, Henk J; Dekker, Joost; Bierma-Zeinstra, Sita M A
2014-09-01
A stepped care strategy (SCS) to improve adequate healthcare use in patients with osteoarthritis was developed and implemented in a primary care region in the Netherlands. To assess the association between care that is in line with the SCS recommendations and health outcomes. Data were used from a 2-year observational study of 313 patients who had consulted their GP because of osteoarthritis. Care was considered 'SCS-consistent' if all advised modalities of the previous steps of the SCS were offered before more advanced modalities of subsequent steps. Pain and physical function were measured with the Western Ontario and McMaster Universities Osteoarthritis Index (range 0-100); active pain coping with the Pain Coping Inventory (range 10-40); and self-efficacy with the Dutch General Self-Efficacy Scale (range 12-48). Crude and adjusted associations between SCS-consistent care and outcomes were estimated with generalised estimating equations. No statistically significant differences were found in changes over a 2-year period in pain and physical function between patients who received SCS-inconsistent care (n = 163) and patients who received SCS-consistent care (n = 117). This was also the case after adjusting for possible confounders, that is, -4.3 (95% confidence interval [CI] = -10.3 to 1.7) and -1.9 (95% CI = -7.0 to 3.1), respectively. Furthermore, no differences were found in changes over time between groups in self-efficacy and pain coping. The results raised several important issues that need to be considered regarding the value of the SCS, such as the reasons that GPs provide SCS-inconsistent care, the long-term effects of the SCS, and the effects on costs and side effects. © British Journal of General Practice 2014.
Connecting spatial and temporal scales of tropical precipitation in observations and the MetUM-GA6
NASA Astrophysics Data System (ADS)
Martin, Gill M.; Klingaman, Nicholas P.; Moise, Aurel F.
2017-01-01
This study analyses tropical rainfall variability (on a range of temporal and spatial scales) in a set of parallel Met Office Unified Model (MetUM) simulations at a range of horizontal resolutions, which are compared with two satellite-derived rainfall datasets. We focus on the shorter scales, i.e. from the native grid and time step of the model through sub-daily to seasonal, since previous studies have paid relatively little attention to sub-daily rainfall variability and how this feeds through to longer scales. We find that the behaviour of the deep convection parametrization in this model on the native grid and time step is largely independent of the grid-box size and time step length over which it operates. There is also little difference in the rainfall variability on larger/longer spatial/temporal scales. Tropical convection in the model on the native grid/time step is spatially and temporally intermittent, producing very large rainfall amounts interspersed with grid boxes/time steps of little or no rain. In contrast, switching off the deep convection parametrization, albeit at an unrealistic resolution for resolving tropical convection, results in very persistent (for limited periods), but very sporadic, rainfall. In both cases, spatial and temporal averaging smoothes out this intermittency. On the ˜ 100 km scale, for oceanic regions, the spectra of 3-hourly and daily mean rainfall in the configurations with parametrized convection agree fairly well with those from satellite-derived rainfall estimates, while at ˜ 10-day timescales the averages are overestimated, indicating a lack of intra-seasonal variability. Over tropical land the results are more varied, but the model often underestimates the daily mean rainfall (partly as a result of a poor diurnal cycle) but still lacks variability on intra-seasonal timescales. Ultimately, such work will shed light on how uncertainties in modelling small-/short-scale processes relate to uncertainty in climate change projections of rainfall distribution and variability, with a view to reducing such uncertainty through improved modelling of small-/short-scale processes.
Effects of step length and step frequency on lower-limb muscle function in human gait.
Lim, Yoong Ping; Lin, Yi-Chung; Pandy, Marcus G
2017-05-24
The aim of this study was to quantify the effects of step length and step frequency on lower-limb muscle function in walking. Three-dimensional gait data were used in conjunction with musculoskeletal modeling techniques to evaluate muscle function over a range of walking speeds using prescribed combinations of step length and step frequency. The body was modeled as a 10-segment, 21-degree-of-freedom skeleton actuated by 54 muscle-tendon units. Lower-limb muscle forces were calculated using inverse dynamics and static optimization. We found that five muscles - GMAX, GMED, VAS, GAS, and SOL - dominated vertical support and forward progression independent of changes made to either step length or step frequency, and that, overall, changes in step length had a greater influence on lower-limb joint motion, net joint moments and muscle function than step frequency. Peak forces developed by the uniarticular hip and knee extensors, as well as the normalized fiber lengths at which these muscles developed their peak forces, correlated more closely with changes in step length than step frequency. Increasing step length resulted in larger contributions from the hip and knee extensors and smaller contributions from gravitational forces (limb posture) to vertical support. These results provide insight into why older people with weak hip and knee extensors walk more slowly by reducing step length rather than step frequency and also help to identify the key muscle groups that ought to be targeted in exercise programs designed to improve gait biomechanics in older adults. Copyright © 2017 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Lang, Joerg; Brandes, Christian; Winsemann, Jutta
2017-04-01
The facies distribution and architecture of submarine fans can be strongly impacted by erosion and deposition by supercritical density flows. We present field examples from the Sandino Forearc Basin (southern Central America), where cyclic-step and antidune deposits represent important sedimentary facies of coarse-grained channel-levée complexes. These bedforms occur in all sub-environments of the depositional systems and relate to the different stages of avulsion, bypass, levée construction and channel backfilling. Large-scale scours (18 to 29 m deep, 18 to 25 m wide, 60 to >120 m long) with an amalgamated infill, comprising massive, normally coarse-tail graded or spaced subhorizontally stratified conglomerates and pebbly sandstones, are interpreted as deposits of the hydraulic-jump zone of cyclic steps. These cyclic steps probably formed during avulsion, when high-density flows were routed into the evolving channel. The large-scale scour fills can be distinguished from small-scale channel fills based on the preservation of a steep upper margin and a coarse-grained infill comprising mainly amalgamated hydraulic-jump deposits. Channel fills include repetitive successions deposited by cyclic steps with superimposed antidunes. The hydraulic-jump zone of cyclic-step deposits comprises regularly spaced scours (0.2 to 2.6 m deep, 0.8 to 23 m wide), which are infilled by intraclast-rich conglomerates or pebbly sandstones and display normal coarse-tail grading or backsets. Laterally and vertically these deposits are associated with subhorizontally stratified, low-angle cross-stratified or sinusoidal stratified pebbly sandstones and sandstones (wavelength 0.5 to 18 m), interpreted as representing antidune deposits formed on the stoss-side of the cyclic steps during flow re-acceleration. The field examples indicate that so-called crudely or spaced stratified deposits may commonly represent antidune deposits with varying stratification styles controlled by the aggradation rate, grain-size distribution and amalgamation. The deposits of small-scale cyclic steps with superimposed antidunes form fining upwards successions with decreasing antidune wavelengths. Such cyclic step-antidune successions are the characteristic basal infill of channels, probably related to supercritical high-density turbidity flows triggered by retrogressive slope failures.
Jin, Pengkang; Wang, Xianbao; Wang, Xiaochang; Ngo, Huu Hao; Jin, Xin
2015-12-01
Two aeration modes, step aeration and point aeration, were used in a full-scale Carrousel oxidation ditch with microporous aeration. The nitrogen removal performance and mechanism were analyzed. With the same total aeration input, both aeration modes demonstrated good nitrification outcomes with the average efficiency in removing NH4(+)-N of more than 98%. However, the average removal efficiencies for total nitrogen were 89.3% and 77.6% under step aeration and point aeration, respectively. The results indicated that an extended aerobic zone followed the aeration zones could affect the proportion of anoxic and oxic zones. The step aeration with larger anoxic zones indicated better TN removal efficiency. More importantly, step aeration provided the suitable environment for both nitrifiers and denitrifiers. The diversity and relative abundance of denitrifying bacteria under the step aeration (1.55%) was higher than that under the point aeration (1.12%), which resulted in an overall higher TN removal efficiency. Copyright © 2015 Elsevier Ltd. All rights reserved.
Newmark local time stepping on high-performance computing architectures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rietmann, Max, E-mail: max.rietmann@erdw.ethz.ch; Institute of Geophysics, ETH Zurich; Grote, Marcus, E-mail: marcus.grote@unibas.ch
In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strongmore » element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.« less
Structural connectivity at a national scale: Wildlife corridors in Tanzania.
Riggio, Jason; Caro, Tim
2017-01-01
Wildlife corridors can help maintain landscape connectivity but novel methods must be developed to assess regional structural connectivity quickly and cheaply so as to determine where expensive and time-consuming surveys of functional connectivity should occur. We use least-cost methods, the most accurate and up-to-date land conversion dataset for East Africa, and interview data on wildlife corridors, to develop a single, consistent methodology to systematically assess wildlife corridors at a national scale using Tanzania as a case study. Our research aimed to answer the following questions; (i) which corridors may still remain open (i.e. structurally connected) at a national scale, (ii) which have been potentially severed by anthropogenic land conversion (e.g., agriculture and settlements), (iii) where are other remaining potential wildlife corridors located, and (iv) which protected areas with lower forms of protection (e.g., Forest Reserves and Wildlife Management Areas) may act as stepping-stones linking more than one National Park and/or Game Reserve. We identify a total of 52 structural connections between protected areas that are potentially open to wildlife movement, and in so doing add 23 to those initially identified by other methods in Tanzanian Government reports. We find that the vast majority of corridors noted in earlier reports as "likely to be severed" have actually not been cut structurally (21 of 24). Nonetheless, nearly a sixth of all the wildlife corridors identified in Tanzania in 2009 have potentially been separated by land conversion, and a third now pass across lands likely to be converted to human use in the near future. Our study uncovers two reserves with lower forms of protection (Uvinza Forest Reserve in the west and Wami-Mbiki Wildlife Management Area in the east) that act as apparently crucial stepping-stones between National Parks and/or Game Reserves and therefore require far more serious conservation support. Methods used in this study are readily applicable to other nations lacking detailed data on wildlife movements and plagued by inaccurate land cover datasets. Our results are the first step in identifying wildlife corridors at a regional scale and provide a springboard for ground-based follow-up conservation.
Structural connectivity at a national scale: Wildlife corridors in Tanzania
Caro, Tim
2017-01-01
Wildlife corridors can help maintain landscape connectivity but novel methods must be developed to assess regional structural connectivity quickly and cheaply so as to determine where expensive and time-consuming surveys of functional connectivity should occur. We use least-cost methods, the most accurate and up-to-date land conversion dataset for East Africa, and interview data on wildlife corridors, to develop a single, consistent methodology to systematically assess wildlife corridors at a national scale using Tanzania as a case study. Our research aimed to answer the following questions; (i) which corridors may still remain open (i.e. structurally connected) at a national scale, (ii) which have been potentially severed by anthropogenic land conversion (e.g., agriculture and settlements), (iii) where are other remaining potential wildlife corridors located, and (iv) which protected areas with lower forms of protection (e.g., Forest Reserves and Wildlife Management Areas) may act as stepping-stones linking more than one National Park and/or Game Reserve. We identify a total of 52 structural connections between protected areas that are potentially open to wildlife movement, and in so doing add 23 to those initially identified by other methods in Tanzanian Government reports. We find that the vast majority of corridors noted in earlier reports as “likely to be severed” have actually not been cut structurally (21 of 24). Nonetheless, nearly a sixth of all the wildlife corridors identified in Tanzania in 2009 have potentially been separated by land conversion, and a third now pass across lands likely to be converted to human use in the near future. Our study uncovers two reserves with lower forms of protection (Uvinza Forest Reserve in the west and Wami-Mbiki Wildlife Management Area in the east) that act as apparently crucial stepping-stones between National Parks and/or Game Reserves and therefore require far more serious conservation support. Methods used in this study are readily applicable to other nations lacking detailed data on wildlife movements and plagued by inaccurate land cover datasets. Our results are the first step in identifying wildlife corridors at a regional scale and provide a springboard for ground-based follow-up conservation. PMID:29095901
Cross-disciplinarity in the advance of Antarctic ecosystem research.
Gutt, J; Isla, E; Bertler, A N; Bodeker, G E; Bracegirdle, T J; Cavanagh, R D; Comiso, J C; Convey, P; Cummings, V; De Conto, R; De Master, D; di Prisco, G; d'Ovidio, F; Griffiths, H J; Khan, A L; López-Martínez, J; Murray, A E; Nielsen, U N; Ott, S; Post, A; Ropert-Coudert, Y; Saucède, T; Scherer, R; Schiaparelli, S; Schloss, I R; Smith, C R; Stefels, J; Stevens, C; Strugnell, J M; Trimborn, S; Verde, C; Verleyen, E; Wall, D H; Wilson, N G; Xavier, J C
2018-02-01
The biodiversity, ecosystem services and climate variability of the Antarctic continent and the Southern Ocean are major components of the whole Earth system. Antarctic ecosystems are driven more strongly by the physical environment than many other marine and terrestrial ecosystems. As a consequence, to understand ecological functioning, cross-disciplinary studies are especially important in Antarctic research. The conceptual study presented here is based on a workshop initiated by the Research Programme Antarctic Thresholds - Ecosystem Resilience and Adaptation of the Scientific Committee on Antarctic Research, which focussed on challenges in identifying and applying cross-disciplinary approaches in the Antarctic. Novel ideas and first steps in their implementation were clustered into eight themes. These ranged from scale problems, through risk maps, and organism/ecosystem responses to multiple environmental changes and evolutionary processes. Scaling models and data across different spatial and temporal scales were identified as an overarching challenge. Approaches to bridge gaps in Antarctic research programmes included multi-disciplinary monitoring, linking biomolecular findings and simulated physical environments, as well as integrative ecological modelling. The results of advanced cross-disciplinary approaches can contribute significantly to our knowledge of Antarctic and global ecosystem functioning, the consequences of climate change, and to global assessments that ultimately benefit humankind. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Masson, Y. J.; Pride, S. R.
2007-03-01
Seismic attenuation and dispersion are numerically determined for computer-generated porous materials that contain arbitrary amounts of mesoscopic-scale heterogeneity in the porous continuum properties. The local equations used to determine the poroelastic response within such materials are those of Biot (1962). Upon applying a step change in stress to samples containing mesoscopic-scale heterogeneity, the poroelastic response is determined using finite difference modeling, and the average strain throughout the sample computed, along with the effective complex and frequency-dependent elastic moduli of the sample. The ratio of the imaginary and real parts of these moduli determines the attenuation as a function of frequency associated with the modes of applied stress (pure compression and pure shear). By having a wide range of heterogeneity present, there exists a wide range of relaxation frequencies in the response with the result that the curves of attenuation as a function of frequency are broader than in existing analytical theories based on a single relaxation frequency. Analytical explanations are given for the various high-frequency and low-frequency asymptotic behavior observed in the numerical simulations. It is also shown that the overall level of attenuation of a given sample is proportional to the square of the incompressibility contrasts locally present.
NASA Astrophysics Data System (ADS)
Lang, Jörg; Brandes, Christian; Winsemann, Jutta
2017-03-01
Erosion and deposition by supercritical density flows can strongly impact the facies distribution and architecture of submarine fans. Field examples from coarse-grained channel-levée complexes from the Sandino Forearc Basin (southern Central America) show that cyclic-step and antidune deposits represent common sedimentary facies of these depositional systems and relate to the different stages of avulsion, bypass, levée construction and channel backfilling. During channel avulsion, large-scale scour-fill complexes (18 to 29 m deep, 18 to 25 m wide, 60 to > 120 m long) were incised by supercritical density flows. The multi-storey infill of the large-scale scour-fill complexes comprises amalgamated massive, normally coarse-tail graded or widely spaced subhorizontally stratified conglomerates and pebbly sandstones, interpreted as deposits of the hydraulic-jump zone of cyclic steps. The large-scale scour-fill complexes can be distinguished from small-scale channel fills based on the preservation of a steep upper margin and a coarse-grained infill comprising mainly amalgamated hydraulic-jump zone deposits. Channel fills include repeated successions deposited by cyclic steps with superimposed antidunes. The deposits of the hydraulic-jump zone of cyclic steps comprise regularly spaced scours (0.2 to 2.6 m deep, 0.8 to 23 m long) infilled by intraclast-rich conglomerates or pebbly sandstones, displaying normal coarse-tail grading or backsets. These deposits are laterally and vertically associated with subhorizontally stratified, low-angle cross-stratified or sinusoidally stratified sandstones and pebbly sandstones, which were deposited by antidunes on the stoss side of the cyclic steps during flow re-acceleration. The field examples indicate that so-called spaced stratified deposits may commonly represent antidune deposits with varying stratification styles controlled by the aggradation rate, grain-size distribution and amalgamation. The deposits of small-scale cyclic steps with superimposed antidunes form fining-upwards successions with decreasing antidune wavelengths, indicating waning flows. Such cyclic step-antidune successions form the characteristic basal infill of mid-fan channels, and are inferred to be related to successive supercritical high-density turbidity flows triggered by retrogressive slope failures.
Uteng, Marianne; Hauge, Håvard Hildeng; Brondz, Ilia; Nissen-Meyer, Jon; Fimland, Gunnar
2002-01-01
A rapid and simple two-step procedure suitable for both small- and large-scale purification of pediocin-like bacteriocins and other cationic peptides has been developed. In the first step, the bacterial culture was applied directly on a cation-exchange column (1-ml cation exchanger per 100-ml cell culture). Bacteria and anionic compounds passed through the column, and cationic bacteriocins were subsequently eluted with 1 M NaCl. In the second step, the bacteriocin fraction was applied on a low-pressure, reverse-phase column and the bacteriocins were detected as major optical density peaks upon elution with propanol. More than 80% of the activity that was initially in the culture supernatant was recovered in both purification steps, and the final bacteriocin preparation was more than 90% pure as judged by analytical reverse-phase chromatography and capillary electrophoresis. PMID:11823243
Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis
NASA Astrophysics Data System (ADS)
Schäfer, Tobias; Ramberger, Benjamin; Kresse, Georg
2017-03-01
We present a low-complexity algorithm to calculate the correlation energy of periodic systems in second-order Møller-Plesset (MP2) perturbation theory. In contrast to previous approximation-free MP2 codes, our implementation possesses a quartic scaling, O ( N 4 ) , with respect to the system size N and offers an almost ideal parallelization efficiency. The general issue that the correlation energy converges slowly with the number of basis functions is eased by an internal basis set extrapolation. The key concept to reduce the scaling is to eliminate all summations over virtual orbitals which can be elegantly achieved in the Laplace transformed MP2 formulation using plane wave basis sets and fast Fourier transforms. Analogously, this approach could allow us to calculate second order screened exchange as well as particle-hole ladder diagrams with a similar low complexity. Hence, the presented method can be considered as a step towards systematically improved correlation energies.
Wafer-Scale Integration of Graphene-based Electronic, Optoelectronic and Electroacoustic Devices
Tian, He; Yang, Yi; Xie, Dan; Cui, Ya-Long; Mi, Wen-Tian; Zhang, Yuegang; Ren, Tian-Ling
2014-01-01
In virtue of its superior properties, the graphene-based device has enormous potential to be a supplement or an alternative to the conventional silicon-based device in varies applications. However, the functionality of the graphene devices is still limited due to the restriction of the high cost, the low efficiency and the low quality of the graphene growth and patterning techniques. We proposed a simple one-step laser scribing fabrication method to integrate wafer-scale high-performance graphene-based in-plane transistors, photodetectors, and loudspeakers. The in-plane graphene transistors have a large on/off ratio up to 5.34. And the graphene photodetector arrays were achieved with photo responsivity as high as 0.32 A/W. The graphene loudspeakers realize wide-band sound generation from 1 to 50 kHz. These results demonstrated that the laser scribed graphene could be used for wafer-scale integration of a variety of graphene-based electronic, optoelectronic and electroacoustic devices. PMID:24398542
Friction of atomically stepped surfaces
NASA Astrophysics Data System (ADS)
Dikken, R. J.; Thijsse, B. J.; Nicola, L.
2017-03-01
The friction behavior of atomically stepped metal surfaces under contact loading is studied using molecular dynamics simulations. While real rough metal surfaces involve roughness at multiple length scales, the focus of this paper is on understanding friction of the smallest scale of roughness: atomic steps. To this end, periodic stepped Al surfaces with different step geometry are brought into contact and sheared at room temperature. Contact stress that continuously tries to build up during loading, is released with fluctuating stress drops during sliding, according to the typical stick-slip behavior. Stress release occurs not only through local slip, but also by means of step motion. The steps move along the contact, concurrently resulting in normal migration of the contact. The direction of migration depends on the sign of the step, i.e., its orientation with respect to the shearing direction. If the steps are of equal sign, there is a net migration of the entire contact accompanied by significant vacancy generation at room temperature. The stick-slip behavior of the stepped contacts is found to have all the characteristic of a self-organized critical state, with statistics dictated by step density. For the studied step geometries, frictional sliding is found to involve significant atomic rearrangement through which the contact roughness is drastically changed. This leads for certain step configurations to a marked transition from jerky sliding motion to smooth sliding, making the final friction stress approximately similar to that of a flat contact.
A Data-Driven, Integrated Flare Model Based on Self-Organized Criticality
NASA Astrophysics Data System (ADS)
Dimitropoulou, M.; Isliker, H.; Vlahos, L.; Georgoulis, M.
2013-09-01
We interpret solar flares as events originating in solar active regions having reached the self-organized critical state, by alternatively using two versions of an "integrated flare model" - one static and one dynamic. In both versions the initial conditions are derived from observations aiming to investigate whether well-known scaling laws observed in the distribution functions of characteristic flare parameters are reproduced after the self-organized critical state has been reached. In the static model, we first apply a nonlinear force-free extrapolation that reconstructs the three-dimensional magnetic fields from two-dimensional vector magnetograms. We then locate magnetic discontinuities exceeding a threshold in the Laplacian of the magnetic field. These discontinuities are relaxed in local diffusion events, implemented in the form of cellular-automaton evolution rules. Subsequent loading and relaxation steps lead the system to self-organized criticality, after which the statistical properties of the simulated events are examined. In the dynamic version we deploy an enhanced driving mechanism, which utilizes the observed evolution of active regions, making use of sequential vector magnetograms. We first apply the static cellular automaton model to consecutive solar vector magnetograms until the self-organized critical state is reached. We then evolve the magnetic field inbetween these processed snapshots through spline interpolation, acting as a natural driver in the dynamic model. The identification of magnetically unstable sites as well as their relaxation follow the same rules as in the static model after each interpolation step. Subsequent interpolation/driving and relaxation steps cover all transitions until the end of the sequence. Physical requirements, such as the divergence-free condition for the magnetic field vector, are approximately satisfied in both versions of the model. We obtain robust power laws in the distribution functions of the modelled flaring events with scaling indices in good agreement with observations. We therefore conclude that well-known statistical properties of flares are reproduced after active regions reach self-organized criticality. The significant enhancement in both the static and the dynamic integrated flare models is that they initiate the simulation from observations, thus facilitating energy calculation in physical units. Especially in the dynamic version of the model, the driving of the system is based on observed, evolving vector magnetograms, allowing for the separation between MHD and kinetic timescales through the assignment of distinct MHD timestamps to each interpolation step.
Testing the basic assumption of the hydrogeomorphic approach to assessing wetland functions.
Hruby, T
2001-05-01
The hydrogeomorphic (HGM) approach for developing "rapid" wetland function assessment methods stipulates that the variables used are to be scaled based on data collected at sites judged to be the best at performing the wetland functions (reference standard sites). A critical step in the process is to choose the least altered wetlands in a hydrogeomorphic subclass to use as a reference standard against which other wetlands are compared. The basic assumption made in this approach is that wetlands judged to have had the least human impact have the highest level of sustainable performance for all functions. The levels at which functions are performed in these least altered wetlands are assumed to be "characteristic" for the subclass and "sustainable." Results from data collected in wetlands in the lowlands of western Washington suggest that the assumption may not be appropriate for this region. Teams developing methods for assessing wetland functions did not find that the least altered wetlands in a subclass had a range of performance levels that could be identified as "characteristic" or "sustainable." Forty-four wetlands in four hydrogeomorphic subclasses (two depressional subclasses and two riverine subclasses) were rated by teams of experts on the severity of their human alterations and on the level of performance of 15 wetland functions. An ordinal scale of 1-5 was used to quantify alterations in water regime, soils, vegetation, buffers, and contributing basin. Performance of functions was judged on an ordinal scale of 1-7. Relatively unaltered wetlands were judged to perform individual functions at levels that spanned all of the seven possible ratings in all four subclasses. The basic assumption of the HGM approach, that the least altered wetlands represent "characteristic" and "sustainable" levels of functioning that are different from those found in altered wetlands, was not confirmed. Although the intent of the HGM approach is to use level of functioning as a metric to assess the ecological integrity or "health" of the wetland ecosystem, the metric does not seem to work in western Washington for that purpose.
Wen, Quan; Stepanyants, Armen; Elston, Guy N.; Grosberg, Alexander Y.; Chklovskii, Dmitri B.
2009-01-01
The shapes of dendritic arbors are fascinating and important, yet the principles underlying these complex and diverse structures remain unclear. Here, we analyzed basal dendritic arbors of 2,171 pyramidal neurons sampled from mammalian brains and discovered 3 statistical properties: the dendritic arbor size scales with the total dendritic length, the spatial correlation of dendritic branches within an arbor has a universal functional form, and small parts of an arbor are self-similar. We proposed that these properties result from maximizing the repertoire of possible connectivity patterns between dendrites and surrounding axons while keeping the cost of dendrites low. We solved this optimization problem by drawing an analogy with maximization of the entropy for a given energy in statistical physics. The solution is consistent with the above observations and predicts scaling relations that can be tested experimentally. In addition, our theory explains why dendritic branches of pyramidal cells are distributed more sparsely than those of Purkinje cells. Our results represent a step toward a unifying view of the relationship between neuronal morphology and function. PMID:19622738
Computational predictions of energy materials using density functional theory
NASA Astrophysics Data System (ADS)
Jain, Anubhav; Shin, Yongwoo; Persson, Kristin A.
2016-01-01
In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery.
Effect of a dual-task net-step exercise on cognitive and gait function in older adults.
Kitazawa, Kazutoshi; Showa, Satoko; Hiraoka, Akira; Fushiki, Yasuhiro; Sakauchi, Humio; Mori, Mitsuru
2015-01-01
Participation in generally recommended aerobics or strength exercises may be challenging for older adults. Therefore, it is necessary to consider the types and levels of physical activities suited for them to improve their cognitive and gait function and adherence to exercise programs. This has prompted efforts to identify exercises that require less physical strength and frequency of performance, while still offering cognitive and health benefits. Here, we aimed to assess the effect of a novel dual-task net-step exercise (NSE) performed once a week for 8 consecutive weeks on improvements in cognitive performance and gait function in an older population. In this pretest/posttest experimental case control study, 60 healthy older adults (mean age 76.4 years) were recruited from community-dwelling people and separated randomly into 2 groups: a dual-task NSE group and a control group. The NSE group was asked to walk across a net without stepping on the ropes or being caught in the net. Two computer panel-type cognitive functional assessments, the Touch-M and Touch Panel-Type Dementia Assessment Scale, were administered at baseline and after 8 weeks of intervention to determine the effects of NSE. Improvements in gait function were also evaluated using Timed Up and Go test scores. Mixed-effect models with repeated measures (group × time) (analysis of variance, F test) were used to test the effects of NSE. Adjustments were made for covariates including age and sex (analysis of covariance). The NSE group showed significant improvement in cognitive performance (6.8% change; total Touch-M score 5.4 points; P = .04) and gait performance (11.5% change; Timed Up and Go time -0.98 second; P < .001) over the 8-week period. In the control group, there was no significant improvement. This study shows that dual-task NSE is capable of improving cognitive and gait performance in healthy older adults. Our results indicate that NSE offers an option for a large segment of the older population who need an easier way to maintain their cognitive health and gait function.
EEGNET: An Open Source Tool for Analyzing and Visualizing M/EEG Connectome.
Hassan, Mahmoud; Shamas, Mohamad; Khalil, Mohamad; El Falou, Wassim; Wendling, Fabrice
2015-01-01
The brain is a large-scale complex network often referred to as the "connectome". Exploring the dynamic behavior of the connectome is a challenging issue as both excellent time and space resolution is required. In this context Magneto/Electroencephalography (M/EEG) are effective neuroimaging techniques allowing for analysis of the dynamics of functional brain networks at scalp level and/or at reconstructed sources. However, a tool that can cover all the processing steps of identifying brain networks from M/EEG data is still missing. In this paper, we report a novel software package, called EEGNET, running under MATLAB (Math works, inc), and allowing for analysis and visualization of functional brain networks from M/EEG recordings. EEGNET is developed to analyze networks either at the level of scalp electrodes or at the level of reconstructed cortical sources. It includes i) Basic steps in preprocessing M/EEG signals, ii) the solution of the inverse problem to localize / reconstruct the cortical sources, iii) the computation of functional connectivity among signals collected at surface electrodes or/and time courses of reconstructed sources and iv) the computation of the network measures based on graph theory analysis. EEGNET is the unique tool that combines the M/EEG functional connectivity analysis and the computation of network measures derived from the graph theory. The first version of EEGNET is easy to use, flexible and user friendly. EEGNET is an open source tool and can be freely downloaded from this webpage: https://sites.google.com/site/eegnetworks/.
EEGNET: An Open Source Tool for Analyzing and Visualizing M/EEG Connectome
Hassan, Mahmoud; Shamas, Mohamad; Khalil, Mohamad; El Falou, Wassim; Wendling, Fabrice
2015-01-01
The brain is a large-scale complex network often referred to as the “connectome”. Exploring the dynamic behavior of the connectome is a challenging issue as both excellent time and space resolution is required. In this context Magneto/Electroencephalography (M/EEG) are effective neuroimaging techniques allowing for analysis of the dynamics of functional brain networks at scalp level and/or at reconstructed sources. However, a tool that can cover all the processing steps of identifying brain networks from M/EEG data is still missing. In this paper, we report a novel software package, called EEGNET, running under MATLAB (Math works, inc), and allowing for analysis and visualization of functional brain networks from M/EEG recordings. EEGNET is developed to analyze networks either at the level of scalp electrodes or at the level of reconstructed cortical sources. It includes i) Basic steps in preprocessing M/EEG signals, ii) the solution of the inverse problem to localize / reconstruct the cortical sources, iii) the computation of functional connectivity among signals collected at surface electrodes or/and time courses of reconstructed sources and iv) the computation of the network measures based on graph theory analysis. EEGNET is the unique tool that combines the M/EEG functional connectivity analysis and the computation of network measures derived from the graph theory. The first version of EEGNET is easy to use, flexible and user friendly. EEGNET is an open source tool and can be freely downloaded from this webpage: https://sites.google.com/site/eegnetworks/. PMID:26379232
Poelmans, Ward; Van Raemdonck, Mario; Verstichel, Brecht; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Alcoba, Diego R; Bultinck, Patrick; Van Neck, Dimitri
2015-09-08
We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle density matrix must be derivable from a doubly occupied many-electron wave function, i.e., a singlet wave function for which the Slater determinant decomposition only contains determinants in which spatial orbitals are doubly occupied. We rederive the two-index N-representability conditions first found by Weinhold and Wilson and apply them to various benchmark systems (linear hydrogen chains, He, N2, and CN(-)). This work is motivated by the fact that a doubly occupied many-electron wave function captures in many cases the bulk of the static correlation. Compared to the general case, the structure of doubly occupied two-particle density matrices causes the associate semidefinite program to have a very favorable scaling as L(3), where L is the number of spatial orbitals. Since the doubly occupied Hilbert space depends on the choice of the orbitals, variational calculation steps of the two-particle density matrix are interspersed with orbital-optimization steps (based on Jacobi rotations in the space of the spatial orbitals). We also point to the importance of symmetry breaking of the orbitals when performing calculations in a doubly occupied framework.
Collins, Natalie J; Hinman, Rana S; Menz, Hylton B; Crossley, Kay M
2017-01-01
The purpose of the study was to determine whether prefabricated foot orthoses immediately reduce pain during functional tasks in people with patellofemoral osteoarthritis, compared to flat insoles and shoes alone. Eighteen people with predominant lateral patellofemoral osteoarthritis (nine women; mean [SD] age 59 [10]years; body mass index 27.9 [3.2]kg/m 2 ) performed functional tasks wearing running sandals, and then wearing foot orthoses and flat insoles (random order). Participants rated knee pain during each task (11-point numerical rating scales), ease of performance and knee stability (five-point Likert scales), and comfort (100mm visual analogue scales). Compared to shoes alone, foot orthoses (p=0.002; median difference 1.5 [IQR 3]) and flat insoles (p<0.001; 2 [3]) significantly reduced pain during step-downs; foot orthoses reduced pain during walking (p=0.008; 1 [1.25]); and flat insoles reduced pain during stair ambulation (p=0.001; 1 [1.75]). No significant differences between foot orthoses and flat insoles were observed for pain severity, ease of performance or knee stability. Foot orthoses were less comfortable than flat insoles and shoes alone (p<0.05). In people with patellofemoral osteoarthritis, immediate pain-relieving effects of prefabricated, contoured foot orthoses are equivalent to flat insoles. Further studies should investigate whether similar outcomes occur with longer-term wear or different orthosis designs. Copyright © 2016 Elsevier B.V. All rights reserved.
ERIC Educational Resources Information Center
Van Viegen Stille, Saskia; Jang, Eunice; Wagner, Maryam
2015-01-01
The Ontario Ministry of Education recently implemented the Steps to English Proficiency (STEP) language assessment framework to build educator capacity for addressing the needs of English language learners (ELLs) in K-12 schools. The STEP framework is a set of descriptors-based language proficiency scales that specify observable linguistic…
NASA Astrophysics Data System (ADS)
Alden, Caroline B.
Atmospheric concentrations of carbon dioxide (CO2) continue to rise well into the second decade of the new millennium, in spite of broad-scale human understanding of the impacts of fossil fuel emissions on the earth's climate. Natural sinks for CO2 that are relevant on human time scales---the world's oceans and land biosphere---appear to have kept pace with emissions. The continuously increasing strength of the land biosphere sink for CO2 is surpassing expectations given our understanding of the CO2 fertilization and warming effects on the balance between photosynthesis and respiration, especially in the face of ongoing forest degradation. The climate and carbon cycle links between the atmosphere and land biosphere are not well understood, especially at regional (100 km to 10,000 km) scales. The climate modulating effects of changing plant stomatal conductance in response to temperature and water availability is a key area of uncertainty. Further, the differential response to climate change of C3 and C4 plant functional types is not well known at regional scales. This work outlines the development of a novel application of atmospheric observations of delta13C of CO2 to investigate the links between climate and water and carbon cycling and the integrated responses of C3 and C4 ecosystems to climate variables. A two-step Bayesian batch inversion for 3-hourly, 1x1º CO2 fluxes (step one), and for 3-hourly 1x1º delta13C of recently assimilated carbon (step two) is created here for the first time, and is used to investigate links between regional climate indicators and changes in delta13C of the biosphere. Results show that predictable responses of regional-scale, integrated plant discrimination to temperature, precipitation and relative humidity anomalies can be recovered from atmospheric signals. Model development, synthetic data simulations to test sensitivity, and results for the year 2010 are presented here. This dissertation also includes two other applications of atmospheric observations of CO2 and delta13C: 1) a state of the art atmospheric CO2 budgeting exercise to show that global net sinks for CO2 have steadily increased over the last 50 years, and 2) a global investigation of the mechanistic drivers of interannual variability in biosphere discrimination against delta13C.
The continuous assembly and transfer of nanoelements
NASA Astrophysics Data System (ADS)
Kumar, Arun
Patterned nanoelements on flexible polymeric substrates at micro/nano scale at high rate, low cost, and commercially viable route offer an opportunity for manufacturing devices with micro/nano scale features. These micro/nano scale now made with various nanoelement can enhance the device functionality in sensing and switching due to their improved conductivity and better mechanical properties. In this research the fundamental understanding of high rate assembly and transfer of nanoelements has been developed. To achieve this objective, three sub topics were made. In the first step, the use of electrophoresis for the controlled assembly of CNT's on interdigitated templates has been shown. The time scale of assembly reported is shorter than the previously reported assembly time (60 seconds). The mass deposited was also predicted using the Hamaker's law. It is also shown that pre-patterned CNT's could be transferred from the rigid templates onto flexible polymeric substrates using a thermoforming process. The time scale of transfer is less than one minute (50 seconds) and was found to be dependent on polymer chemistry. It was found that CNT's preferentially transfer from Au electrode to non-polar polymeric substrates (polyurethane and polyethylene terephalathate glycol) in the thermoforming process. In the second step, a novel process (Pulsed Electrophoresis) has been shown for the first time to assist the assembly of conducting polyaniline on gold nanowire interdigitated templates. This technique offers dynamic control over heat build-up, which has been a main drawback in the DC electrophoresis and AC dielectrophoresis as well as the main cause of nanowire template damage. The use of this technique allowed higher voltages to be applied, resulting in shorter assembly times (e.g., 17.4 seconds, assembly resolution of 100 nm). The pre-patterned templates with PANi deposition were subsequently used to transfer the nanoscale assembled PANi from the rigid templates to thermoplastic polyurethane using the thermoforming process. In the third step, a novel integration of high rate pulsed electrophoretic assembly with thermally assisted transfer in a roll-to-roll process has been shown. This technique allowed the whole assembly and transfer process to take place in only 30 seconds. Further, a processing window is developed to control the percent area coverage of PANi with the aid of the belt speed. Also shown is the effect of different types of polymer on the quality of transfer, and it concluded that the transfer is affected by the polymer chemistry.
Knight, Sophie; Aggarwal, Rajesh; Agostini, Aubert; Loundou, Anderson; Berdah, Stéphane; Crochet, Patrice
2018-01-01
Total Laparoscopic hysterectomy (LH) requires an advanced level of operative skills and training. The aim of this study was to develop an objective scale specific for the assessment of technical skills for LH (H-OSATS) and to demonstrate feasibility of use and validity in a virtual reality setting. The scale was developed using a hierarchical task analysis and a panel of international experts. A Delphi method obtained consensus among experts on relevant steps that should be included into the H-OSATS scale for assessment of operative performances. Feasibility of use and validity of the scale were evaluated by reviewing video recordings of LH performed on a virtual reality laparoscopic simulator. Three groups of operators of different levels of experience were assessed in a Marseille teaching hospital (10 novices, 8 intermediates and 8 experienced surgeons). Correlations with scores obtained using a recognised generic global rating tool (OSATS) were calculated. A total of 76 discrete steps were identified by the hierarchical task analysis. 14 experts completed the two rounds of the Delphi questionnaire. 64 steps reached consensus and were integrated in the scale. During the validation process, median time to rate each video recording was 25 minutes. There was a significant difference between the novice, intermediate and experienced group for total H-OSATS scores (133, 155.9 and 178.25 respectively; p = 0.002). H-OSATS scale demonstrated high inter-rater reliability (intraclass correlation coefficient [ICC] = 0.930; p<0.001) and test retest reliability (ICC = 0.877; p<0.001). High correlations were found between total H-OSATS scores and OSATS scores (rho = 0.928; p<0.001). The H-OSATS scale displayed evidence of validity for assessment of technical performances for LH performed on a virtual reality simulator. The implementation of this scale is expected to facilitate deliberate practice. Next steps should focus on evaluating the validity of the scale in the operating room.
CNTs in polymer melt: The influence on dispersion by sonication
NASA Astrophysics Data System (ADS)
Bischoff, M.; Köhler, T.; Bandelin, J.; Möhricke, J.; Jung, R.; Gries, T.
2017-10-01
Nanocomposites have become more important as the implementation of nanoparticles in polymer allows additional functions in common industrial parts. Especially in the fabrication of filaments or fibres nanomodification is crucial, as only very small fillers can be added to the very fine fibres (common fibre diameter is 20 μm, fine filaments are 1 μm). [1,2] Discharging fibres, conductive fibres and many other functional fibres raise in their importance nowadays, as the need for highly functional but flexible surfaces, such as textiles rises. Especially the dispersion quality is essential for the final enhancement of the filament properties. Homogeneously distributed particles serve function throughout the full fibre giving equal mechanical and functional properties over the length of the fibre and of the manufactured textile [3,4]. Counteracting this requirement nanoparticles tend to form agglomerates due to their high specific surface area during the manufacturing of those nanocomposites [5]. In this paper the distribution and dispersion methods are introduced. The homogenization of carbon nanoparticles in polymer melt is enhanced by a novel sonication unit of ITA and BANDELIN electronic GmbH & Co. KG. The first development steps of the semi-industrial unit fabrication as well as the first experimental results in the lab scale of the modification of the dispersion will be shown. Special focus will be laid on the sealing of the new sonication unit as well as the positioning and equipment size when being implemented in an existing melt spinning unit. The paper will show the status of the project as well as the next steps, to show other participants the potential of the newly developed unit.
Ion and impurity transport in turbulent, anisotropic magnetic fields
NASA Astrophysics Data System (ADS)
Negrea, M.; Petrisor, I.; Isliker, H.; Vogiannou, A.; Vlahos, L.; Weyssow, B.
2011-08-01
We investigate ion and impurity transport in turbulent, possibly anisotropic, magnetic fields. The turbulent magnetic field is modeled as a correlated stochastic field, with Gaussian distribution function and prescribed spatial auto-correlation function, superimposed onto a strong background field. The (running) diffusion coefficients of ions are determined in the three-dimensional environment, using two alternative methods, the semi-analytical decorrelation trajectory (DCT) method, and test-particle simulations. In a first step, the results of the test-particle simulations are compared with and used to validate the results obtained from the DCT method. For this purpose, a drift approximation was made in slab geometry, and relatively good qualitative agreement between the DCT method and the test-particle simulations was found. In a second step, the ion species He, Be, Ne and W, all assumed to be fully ionized, are considered under ITER-like conditions, and the scaling of their diffusivities is determined with respect to varying levels of turbulence (varying Kubo number), varying degrees of anisotropy of the turbulent structures and atomic number. In a third step, the test-particle simulations are repeated without drift approximation, directly using the Lorentz force, first in slab geometry, in order to assess the finite Larmor radius effects, and second in toroidal geometry, to account for the geometric effects. It is found that both effects are important, most prominently the effects due to toroidal geometry and the diffusivities are overestimated in slab geometry by an order of magnitude.
Forward-facing steps induced transition in a subsonic boundary layer
NASA Astrophysics Data System (ADS)
Zh, Hui; Fu, Song
2017-10-01
A forward-facing step (FFS) immersed in a subsonic boundary layer is studied through a high-order flux reconstruction (FR) method to highlight the flow transition induced by the step. The step height is a third of the local boundary-layer thickness. The Reynolds number based on the step height is 720. Inlet disturbances are introduced giving rise to streamwise vortices upstream of the step. It is observed that these small-scale streamwise structures interact with the step and hairpin vortices are quickly developed after the step leading to flow transition in the boundary layer.
Willman, Britta; Grankvist, Kjell; Bölenius, Karin
2018-05-11
When performed erroneously, the venous blood specimen collection (VBSC) practice steps patient identification, test request management and test tube labeling are at high risk to jeopardize patient safety. VBSC educational programs with the intention to minimize risk of harm to patients are therefore needed. In this study, we evaluate the efficiency of a large-scale online e-learning program on personnel's adherence to VBSC practices and their experience of the e-learning program. An interprofessional team transformed an implemented traditional VBSC education program to an online e-learning program developed to stimulate reflection with focus on the high-risk practice steps. We used questionnaires to evaluate the effect of the e-learning program on personnel's self-reported adherence to VBSC practices compared to questionnaire surveys before and after introduction of the traditional education program. We used content analysis to evaluate the participants free text experience of the VBSC e-learning program. Adherence to the VBSC guideline high-risk practice steps generally increased following the implementation of a traditional educational program followed by an e-learning program. We however found a negative trend over years regarding participation rates and the practice to always send/sign the request form following the introduction of an electronic request system. The participants were in general content with the VBSC e-learning program. Properly designed e-learning programs on VBSC practices supersedes traditional educational programs in usefulness and functionality. Inclusion of questionnaires in the e-learning program is necessary for follow-up of VBSC participant's practices and educational program efficiency.
Design of a reliable and operational landslide early warning system at regional scale
NASA Astrophysics Data System (ADS)
Calvello, Michele; Piciullo, Luca; Gariano, Stefano Luigi; Melillo, Massimo; Brunetti, Maria Teresa; Peruccacci, Silvia; Guzzetti, Fausto
2017-04-01
Landslide early warning systems at regional scale are used to warn authorities, civil protection personnel and the population about the occurrence of rainfall-induced landslides over wide areas, typically through the prediction and measurement of meteorological variables. A warning model for these systems must include a regional correlation law and a decision algorithm. A regional correlation law can be defined as a functional relationship between rainfall and landslides; it is typically based on thresholds of rainfall indicators (e.g., cumulated rainfall, rainfall duration) related to different exceedance probabilities of landslide occurrence. A decision algorithm can be defined as a set of assumptions and procedures linking rainfall thresholds to warning levels. The design and the employment of an operational and reliable early warning system for rainfall-induced landslides at regional scale depend on the identification of a reliable correlation law as well as on the definition of a suitable decision algorithm. Herein, a five-step process chain addressing both issues and based on rainfall thresholds is proposed; the procedure is tested in a landslide-prone area of the Campania region in southern Italy. To this purpose, a database of 96 shallow landslides triggered by rainfall in the period 2003-2010 and rainfall data gathered from 58 rain gauges are used. First, a set of rainfall thresholds are defined applying a frequentist method to reconstructed rainfall conditions triggering landslides in the test area. In the second step, several thresholds at different exceedance probabilities are evaluated, and different percentile combinations are selected for the activation of three warning levels. Subsequently, within steps three and four, the issuing of warning levels is based on the comparison, over time and for each combination, between the measured rainfall and the pre-defined warning level thresholds. Finally, the optimal percentile combination to be employed in the regional early warning system is selected evaluating the model performance in terms of success and error indicators by means of the "event, duration matrix, performance" (EDuMaP) method.
Gravity Duals of Lifshitz-Like Fixed Points
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kachru, Shamit; /Stanford U., Phys. Dept. /SLAC; Liu, Xiao
2008-11-05
We find candidate macroscopic gravity duals for scale-invariant but non-Lorentz invariant fixed points, which do not have particle number as a conserved quantity. We compute two-point correlation functions which exhibit novel behavior relative to their AdS counterparts, and find holographic renormalization group flows to conformal field theories. Our theories are characterized by a dynamical critical exponent z, which governs the anisotropy between spatial and temporal scaling t {yields} {lambda}{sup z}t, x {yields} {lambda}x; we focus on the case with z = 2. Such theories describe multicritical points in certain magnetic materials and liquid crystals, and have been shown to arisemore » at quantum critical points in toy models of the cuprate superconductors. This work can be considered a small step towards making useful dual descriptions of such critical points.« less
Lee, Jin; Huang, Yueng-hsiang; Robertson, Michelle M; Murphy, Lauren A; Garabet, Angela; Chang, Wen-Ruey
2014-02-01
The goal of this study was to examine the external validity of a 12-item generic safety climate scale for lone workers in order to evaluate the appropriateness of generalized use of the scale in the measurement of safety climate across various lone work settings. External validity evidence was established by investigating the measurement equivalence (ME) across different industries and companies. Confirmatory factor analysis (CFA)-based and item response theory (IRT)-based perspectives were adopted to examine the ME of the generic safety climate scale for lone workers across 11 companies from the trucking, electrical utility, and cable television industries. Fairly strong evidence of ME was observed for both organization- and group-level generic safety climate sub-scales. Although significant invariance was observed in the item intercepts across the different lone work settings, absolute model fit indices remained satisfactory in the most robust step of CFA-based ME testing. IRT-based ME testing identified only one differentially functioning item from the organization-level generic safety climate sub-scale, but its impact was minimal and strong ME was supported. The generic safety climate scale for lone workers reported good external validity and supported the presence of a common feature of safety climate among lone workers. The scale can be used as an effective safety evaluation tool in various lone work situations. Copyright © 2013 Elsevier Ltd. All rights reserved.
Linear Subspace Ranking Hashing for Cross-Modal Retrieval.
Li, Kai; Qi, Guo-Jun; Ye, Jun; Hua, Kien A
2017-09-01
Hashing has attracted a great deal of research in recent years due to its effectiveness for the retrieval and indexing of large-scale high-dimensional multimedia data. In this paper, we propose a novel ranking-based hashing framework that maps data from different modalities into a common Hamming space where the cross-modal similarity can be measured using Hamming distance. Unlike existing cross-modal hashing algorithms where the learned hash functions are binary space partitioning functions, such as the sign and threshold function, the proposed hashing scheme takes advantage of a new class of hash functions closely related to rank correlation measures which are known to be scale-invariant, numerically stable, and highly nonlinear. Specifically, we jointly learn two groups of linear subspaces, one for each modality, so that features' ranking orders in different linear subspaces maximally preserve the cross-modal similarities. We show that the ranking-based hash function has a natural probabilistic approximation which transforms the original highly discontinuous optimization problem into one that can be efficiently solved using simple gradient descent algorithms. The proposed hashing framework is also flexible in the sense that the optimization procedures are not tied up to any specific form of loss function, which is typical for existing cross-modal hashing methods, but rather we can flexibly accommodate different loss functions with minimal changes to the learning steps. We demonstrate through extensive experiments on four widely-used real-world multimodal datasets that the proposed cross-modal hashing method can achieve competitive performance against several state-of-the-arts with only moderate training and testing time.
Sebastião, Emerson; Learmonth, Yvonne C; Motl, Robert W
2017-01-01
Falls are of great concern among persons with multiple sclerosis (MS). To examine differences in metrics of mobility, postural control, and cognition in persons with MS with distinct fall risk status; and to investigate predictors of fall risk group membership using discriminant analysis. Forty-seven persons with MS completed the Activities-Balance Confidence (ABC) Scale and underwent a battery of assessments of mobility, balance, and cognition. Participants further wore an accelerometer for 7 days as an assessment of steps/day. Participants were allocated into fall risk groups based on ABC scale scores (increased fall risk (IFR); and normal fall risk (NFR)). We examined univariate differences between groups using ANOVA, and discriminant function analysis (DFA) identified the significant multivariate predictors of FR status. After controlling for disability level, the IFR group had significantly (p < 0.05) worse scores on measures of mobility (i.e., MSWS-12, 6 MW, and steps/day) compared to the NFR group. DFA identified MSWS-12 and 6 MW scores as significant (p < 0.05) predictors of fall risk group membership. Those two variables collectively explained 55% of variance in fall risk grouping. The findings suggest that mobility should be the focus of rehabilitation programs in persons with MS, especially for those at IFR.
Structural dynamics of free proteins in diffraction.
Lin, Milo M; Shorokhov, Dmitry; Zewail, Ahmed H
2011-10-26
Among the macromolecular patterns of biological significance, right-handed α-helices are perhaps the most abundant structural motifs. Here, guided by experimental findings, we discuss both ultrafast initial steps and longer-time-scale structural dynamics of helix-coil transitions induced by a range of temperature jumps in large, isolated macromolecular ensembles of an α-helical protein segment thymosin β(9) (Tβ(9)), and elucidate the comprehensive picture of (un)folding. In continuation of an earlier theoretical work from this laboratory that utilized a simplistic structure-scrambling algorithm combined with a variety of self-avoidance thresholds to approximately model helix-coil transitions in Tβ(9), in the present contribution we focus on the actual dynamics of unfolding as obtained from massively distributed ensemble-convergent MD simulations which provide an unprecedented scope of information on the nature of transient macromolecular structures, and with atomic-scale spatiotemporal resolution. In addition to the use of radial distribution functions of ultrafast electron diffraction (UED) simulations in gaining an insight into the elementary steps of conformational interconversions, we also investigate the structural dynamics of the protein via the native (α-helical) hydrogen bonding contact metric which is an intuitive coarse graining approach. Importantly, the decay of α-helical motifs and the (globular) conformational annealing in Tβ(9) occur consecutively or competitively, depending on the magnitude of temperature jump.
Effects of different interior decorations in the seclusion area of a psychiatric acute ward.
Vaaler, Arne E; Morken, Gunnar; Linaker, Olav M
2005-01-01
The objective of the study was to compare development in symptoms, behaviours, treatment and patient satisfaction of a traditional interior and an interior furnished like an ordinary home in a seclusion area. A naturalistic sample of 56 consecutive patients admitted to an acute ward was allocated to two different seclusion areas, one with a traditional interior and one decorated as an ordinary home. Symptoms of psychopathology, therapeutic steps taken, violent episodes, length of patient stay and patient satisfaction were recorded. There were no differences in changes in scores on The Positive and Negative Syndrome Scale for schizophrenia, The Brøset Violence Checklist or the Global Assessment of Function split version scale between the two patient groups. Therapeutic steps taken, number of violent episodes and length of patient stay was also similar. Female patients preferred an ordinary home interior. It was concluded that interior and furnishing like an ordinary home in the seclusion areas created an environment with comparable treatment outcomes to the traditional dismal interior, and had positive effects on many patients' well-being, at least among the women. The traditional beliefs that a sparsely decorated interior is a method to reduce symptoms of psychopathology and dangerous behaviours were not supported by our data.
Negre, Christian F A; Mniszewski, Susan M; Cawkwell, Marc J; Bock, Nicolas; Wall, Michael E; Niklasson, Anders M N
2016-07-12
We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive, iterative refinement of an initial guess of Z (inverse square root of the overlap matrix S). The initial guess of Z is obtained beforehand by using either an approximate divide-and-conquer technique or dynamical methods, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under the incomplete, approximate, iterative refinement of Z. Linear-scaling performance is obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables efficient shared-memory parallelization. As we show in this article using self-consistent density-functional-based tight-binding MD, our approach is faster than conventional methods based on the diagonalization of overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4158-atom water-solvated polyalanine system, we find an average speedup factor of 122 for the computation of Z in each MD step.
Laser-induced patterns on metals and polymers for biomimetic surface engineering
NASA Astrophysics Data System (ADS)
Kietzig, Anne-Marie; Lehr, Jorge; Matus, Luke; Liang, Fang
2014-03-01
One common feature of many functional surfaces found in nature is their modular composition often exhibiting several length scales. Prominent natural examples for extreme behaviors can be named in various plant leaf (rose, peanut, lotus) or animal toe surfaces (Gecko, tree frog). Influence factors of interest are the surface's chemical composition, its microstructure, its organized or random roughness and hence the resulting surface wetting and adhesion character. Femtosecond (fs) laser micromachining offers a possibility to render all these factors in one single processing step on metallic and polymeric surfaces. Exemplarily, studies on Titanium and PTFE are shown, where the dependence of the resulting feature sizes on lasing intensity is investigated. While Ti surfaces show rigid surface patterns of micrometer scaled features with superimposed nanostructures, PTFE exhibits elastic hairy structures of nanometric diameter, which upon a certain threshold tend to bundle to larger features. Both surface patterns can be adjusted to mimic specific wetting and flow behaviour as seen on natural examples. Therefore, fs-laser micromachining is suggested as an interesting industrially scalable technique to pattern and fine-tune the surface wettability of a surface to the desired extends in one process step. Possible applications can be seen with surfaces, which require specific wetting, fouling, icing, friction or cell adhesion behaviour.
Negre, Christian F. A; Mniszewski, Susan M.; Cawkwell, Marc Jon; ...
2016-06-06
We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive iterative re nement of an initial guess Z of the inverse overlap matrix S. The initial guess of Z is obtained beforehand either by using an approximate divide and conquer technique or dynamically, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under incomplete approximate iterative re nement of Z. Linear scaling performance ismore » obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables e cient shared memory parallelization. As we show in this article using selfconsistent density functional based tight-binding MD, our approach is faster than conventional methods based on the direct diagonalization of the overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4,158 atom water-solvated polyalanine system we nd an average speedup factor of 122 for the computation of Z in each MD step.« less
Ultrahigh resolution multicolor colocalization of single fluorescent probes
Weiss, Shimon; Michalet, Xavier; Lacoste, Thilo D.
2005-01-18
A novel optical ruler based on ultrahigh-resolution colocalization of single fluorescent probes is described. Two unique families of fluorophores are used, namely energy-transfer fluorescent beads and semiconductor nanocrystal (NC) quantum dots, that can be excited by a single laser wavelength but emit at different wavelengths. A novel multicolor sample-scanning confocal microscope was constructed which allows one to image each fluorescent light emitter, free of chromatic aberrations, by scanning the sample with nanometer scale steps using a piezo-scanner. The resulting spots are accurately localized by fitting them to the known shape of the excitation point-spread-function of the microscope.
Stoy, Paul C; Trowbridge, Amy M; Bauerle, William L
2014-02-01
Most models of photosynthetic activity assume that temperature is the dominant control over physiological processes. Recent studies have found, however, that photoperiod is a better descriptor than temperature of the seasonal variability of photosynthetic physiology at the leaf scale. Incorporating photoperiodic control into global models consequently improves their representation of the seasonality and magnitude of atmospheric CO2 concentration. The role of photoperiod versus that of temperature in controlling the seasonal variability of photosynthetic function at the canopy scale remains unexplored. We quantified the seasonal variability of ecosystem-level light response curves using nearly 400 site years of eddy covariance data from over eighty Free Fair-Use sites in the FLUXNET database. Model parameters describing maximum canopy CO2 uptake and the initial slope of the light response curve peaked after peak temperature in about 2/3 of site years examined, emphasizing the important role of temperature in controlling seasonal photosynthetic function. Akaike's Information Criterion analyses indicated that photoperiod should be included in models of seasonal parameter variability in over 90% of the site years investigated here, demonstrating that photoperiod also plays an important role in controlling seasonal photosynthetic function. We also performed a Granger causality analysis on both gross ecosystem productivity (GEP) and GEP normalized by photosynthetic photon flux density (GEP n ). While photoperiod Granger-caused GEP and GEP n in 99 and 92% of all site years, respectively, air temperature Granger-caused GEP in a mere 32% of site years but Granger-caused GEP n in 81% of all site years. Results demonstrate that incorporating photoperiod may be a logical step toward improving models of ecosystem carbon uptake, but not at the expense of including enzyme kinetic-based temperature constraints on canopy-scale photosynthesis.
NASA Astrophysics Data System (ADS)
Xie, Qing; Xiao, Zhixiang; Ren, Zhuyin
2018-09-01
A spectral radius scaling semi-implicit time stepping scheme has been developed for simulating unsteady compressible reactive flows with detailed chemistry, in which the spectral radius in the LUSGS scheme has been augmented to account for viscous/diffusive and reactive terms and a scalar matrix is proposed to approximate the chemical Jacobian using the minimum species destruction timescale. The performance of the semi-implicit scheme, together with a third-order explicit Runge-Kutta scheme and a Strang splitting scheme, have been investigated in auto-ignition and laminar premixed and nonpremixed flames of three representative fuels, e.g., hydrogen, methane, and n-heptane. Results show that the minimum species destruction time scale can well represent the smallest chemical time scale in reactive flows and the proposed scheme can significantly increase the allowable time steps in simulations. The scheme is stable when the time step is as large as 10 μs, which is about three to five orders of magnitude larger than the smallest time scales in various tests considered. For the test flames considered, the semi-implicit scheme achieves second order of accuracy in time. Moreover, the errors in quantities of interest are smaller than those from the Strang splitting scheme indicating the accuracy gain when the reaction and transport terms are solved coupled. Results also show that the relative efficiency of different schemes depends on fuel mechanisms and test flames. When the minimum time scale in reactive flows is governed by transport processes instead of chemical reactions, the proposed semi-implicit scheme is more efficient than the splitting scheme. Otherwise, the relative efficiency depends on the cost in sub-iterations for convergence within each time step and in the integration for chemistry substep. Then, the capability of the compressible reacting flow solver and the proposed semi-implicit scheme is demonstrated for capturing the hydrogen detonation waves. Finally, the performance of the proposed method is demonstrated in a two-dimensional hydrogen/air diffusion flame.
A clinical measure of maximal and rapid stepping in older women.
Medell, J L; Alexander, N B
2000-08-01
In older adults, clinical measures have been used to assess fall risk based on the ability to maintain stance or to complete a functional task. However, in an impending fall situation, a stepping response is often used when strategies to maintain stance are inadequate. We examined how maximal and rapid stepping performance might differ among healthy young, healthy older, and balance-impaired older adults, and how this stepping performance related to other measures of balance and fall risk. Young (Y; n = 12; mean age, 21 years), unimpaired older (UO; n = 12; mean age, 69 years), and balance-impaired older women IO; n = 10; mean age, 77 years) were tested in their ability to take a maximal step (Maximum Step Length or MSL) and in their ability to take rapid steps in three directions (front, side, and back), termed the Rapid Step Test (RST). Time to complete the RST and stepping errors occurring during the RST were noted. The IO group, compared with the Y and UO groups, demonstrated significantly poorer balance and higher fall risk, based on performance on tasks such as unipedal stance. Mean MSL was significantly higher (by 16%) in the Y than in the UO group and in the UO (by 30%) than in the IO group. Mean RST time was significantly faster in the Y group versus the UO group (by 24%) and in the UO group versus the IO group (by 15%). Mean RST errors tended to be higher in the UO than in the Y group, but were significantly higher only in the UO versus the IO group. Both MSL and RST time correlated strongly (0.5 to 0.8) with other measures of balance and fall risk including unipedal stance, tandem walk, leg strength, and the Activities-Specific Balance Confidence (ABC) scale. We found substantial declines in the ability of both unimpaired and balance-impaired older adults to step maximally and to step rapidly. Stepping performance is closely related to other measures of balance and fall risk and might be considered in future studies as a predictor of falls and fall-related injuries.
2005-03-01
team-wide accountability and rewards Functional focus Group accountability and rewards Employee-owner interest conflicts Process focus Lack of...Collaborative and cross-functional work Incompatible IT Need to share Compartmentalization of functional groups Localized decision making Centralized...Steps are: • Step 1: Analyze Corporate Strategic Objectives Using SWOT (Strengths, Weaknesses, Opportunities, Threats) Methodology • Step 2
NASA Astrophysics Data System (ADS)
Pak, A.; Dewald, E. L.; Landen, O. L.; Milovich, J.; Strozzi, D. J.; Berzak Hopkins, L. F.; Bradley, D. K.; Divol, L.; Ho, D. D.; MacKinnon, A. J.; Meezan, N. B.; Michel, P.; Moody, J. D.; Moore, A. S.; Schneider, M. B.; Town, R. P. J.; Hsing, W. W.; Edwards, M. J.
2015-12-01
Temporally resolved measurements of the hohlraum radiation flux asymmetry incident onto a bismuth coated surrogate capsule have been made over the first two nanoseconds of ignition relevant laser pulses. Specifically, we study the P2 asymmetry of the incoming flux as a function of cone fraction, defined as the inner-to-total laser beam power ratio, for a variety of hohlraums with different scales and gas fills. This work was performed to understand the relevance of recent experiments, conducted in new reduced-scale neopentane gas filled hohlraums, to full scale helium filled ignition targets. Experimental measurements, matched by 3D view factor calculations, are used to infer differences in symmetry, relative beam absorption, and cross beam energy transfer (CBET), employing an analytic model. Despite differences in hohlraum dimensions and gas fill, as well as in laser beam pointing and power, we find that laser absorption, CBET, and the cone fraction, at which a symmetric flux is achieved, are similar to within 25% between experiments conducted in the reduced and full scale hohlraums. This work demonstrates a close surrogacy in the dynamics during the first shock between reduced-scale and full scale implosion experiments and is an important step in enabling the increased rate of study for physics associated with inertial confinement fusion.
Refining a self-assessment of informatics competency scale using Mokken scaling analysis.
Yoon, Sunmoo; Shaffer, Jonathan A; Bakken, Suzanne
2015-01-01
Healthcare environments are increasingly implementing health information technology (HIT) and those from various professions must be competent to use HIT in meaningful ways. In addition, HIT has been shown to enable interprofessional approaches to health care. The purpose of this article is to describe the refinement of the Self-Assessment of Nursing Informatics Competencies Scale (SANICS) using analytic techniques based upon item response theory (IRT) and discuss its relevance to interprofessional education and practice. In a sample of 604 nursing students, the 93-item version of SANICS was examined using non-parametric IRT. The iterative modeling procedure included 31 steps comprising: (1) assessing scalability, (2) assessing monotonicity, (3) assessing invariant item ordering, and (4) expert input. SANICS was reduced to an 18-item hierarchical scale with excellent reliability. Fundamental skills for team functioning and shared decision making among team members (e.g. "using monitoring systems appropriately," "describing general systems to support clinical care") had the highest level of difficulty, and "demonstrating basic technology skills" had the lowest difficulty level. Most items reflect informatics competencies relevant to all health professionals. Further, the approaches can be applied to construct a new hierarchical scale or refine an existing scale related to informatics attitudes or competencies for various health professions.
Toward a fully integrated neurostimulator with inductive power recovery front-end.
Mounaïm, Fayçal; Sawan, Mohamad
2012-08-01
In order to investigate new neurostimulation strategies for micturition recovery in spinal cord injured patients, custom implantable stimulators are required to carry-on chronic animal experiments. However, higher integration of the neurostimulator becomes increasingly necessary for miniaturization purposes, power consumption reduction, and for increasing the number of stimulation channels. As a first step towards total integration, we present in this paper the design of a highly-integrated neurostimulator that can be assembled on a 21-mm diameter printed circuit board. The prototype is based on three custom integrated circuits fabricated in High-Voltage (HV) CMOS technology, and a low-power small-scale commercially available FPGA. Using a step-down approach where the inductive voltage is left free up to 20 V, the inductive power and data recovery front-end is fully integrated. In particular, the front-end includes a bridge rectifier, a 20-V voltage limiter, an adjustable series regulator (5 to 12 V), a switched-capacitor step-down DC/DC converter (1:3, 1:2, or 2:3 ratio), as well as data recovery. Measurements show that the DC/DC converter achieves more than 86% power efficiency while providing around 3.9-V from a 12-V input at 1-mA load, 1:3 conversion ratio, and 50-kHz switching frequency. With such efficiency, the proposed step-down inductive power recovery topology is more advantageous than its conventional step-up counterpart. Experimental results confirm good overall functionality of the system.
Comparing an annual and daily time-step model for predicting field-scale phosphorus loss
USDA-ARS?s Scientific Manuscript database
Numerous models exist for describing phosphorus (P) losses from agricultural fields. The complexity of these models varies considerably ranging from simple empirically-based annual time-step models to more complex process-based daily time step models. While better accuracy is often assumed with more...
NASA Astrophysics Data System (ADS)
Ghomi, M.; Aamouche, A.; Cadioli, B.; Berthier, G.; Grajcar, L.; Baron, M. H.
1997-06-01
A complete set of vibrational spectra, obtained from several spectroscopic techniques, i.e. neutron inelastic scattering (NIS), Raman scattering and infrared absorption (IR), has been used in order to assign the vibrational modes of pyrimidine bases (uracil, thymine, cytosine) and their N-deuterated species. The spectra of solid and aqueous samples allowed us to analyse the effects of hydrogen bonding in crystal and in solution. In a first step, to assign the observed vibrational modes, we have resorted to harmonic quantum mechanical force field, calculated at SCF + MP2 level using double-zeta 6-31G and D95V basis sets with non-standard exponents for d-orbital polarisation functions. In order to improve the agreement between the experimental results obtained in condensed phases and the calculated ones based on isolated molecules, the molecular force field has been scaled. In a second step, to estimate the effect of intermolecular interactions on the vibrational dynamics of pyrimidine bases, we have undertaken additional calculations with the density functional theory (DFT) method using B3LYP functionals and polarised 6-31G basis sets. Two theoretical models have been considered: 1. a uracil embedded in a dielectric continuum ( ɛ = 78), and 2. a uracil H-bonded to two water molecules (through N1 and N3 atoms).
Liu, Ming-Qi; Zeng, Wen-Feng; Fang, Pan; Cao, Wei-Qian; Liu, Chao; Yan, Guo-Quan; Zhang, Yang; Peng, Chao; Wu, Jian-Qiang; Zhang, Xiao-Jin; Tu, Hui-Jun; Chi, Hao; Sun, Rui-Xiang; Cao, Yong; Dong, Meng-Qiu; Jiang, Bi-Yun; Huang, Jiang-Ming; Shen, Hua-Li; Wong, Catherine C L; He, Si-Min; Yang, Peng-Yuan
2017-09-05
The precise and large-scale identification of intact glycopeptides is a critical step in glycoproteomics. Owing to the complexity of glycosylation, the current overall throughput, data quality and accessibility of intact glycopeptide identification lack behind those in routine proteomic analyses. Here, we propose a workflow for the precise high-throughput identification of intact N-glycopeptides at the proteome scale using stepped-energy fragmentation and a dedicated search engine. pGlyco 2.0 conducts comprehensive quality control including false discovery rate evaluation at all three levels of matches to glycans, peptides and glycopeptides, improving the current level of accuracy of intact glycopeptide identification. The N-glycoproteome of samples metabolically labeled with 15 N/ 13 C were analyzed quantitatively and utilized to validate the glycopeptide identification, which could be used as a novel benchmark pipeline to compare different search engines. Finally, we report a large-scale glycoproteome dataset consisting of 10,009 distinct site-specific N-glycans on 1988 glycosylation sites from 955 glycoproteins in five mouse tissues.Protein glycosylation is a heterogeneous post-translational modification that generates greater proteomic diversity that is difficult to analyze. Here the authors describe pGlyco 2.0, a workflow for the precise one step identification of intact N-glycopeptides at the proteome scale.
Khaing, Zin Z; Geissler, Sydney A; Jiang, Shan; Milman, Brian D; Aguilar, Sandra V; Schmidt, Christine E; Schallert, Timothy
2012-02-10
Cervical spinal cord injury (cSCI) can cause devastating neurological deficits, including impairment or loss of upper limb and hand function. Recently there has been increasing interest in cervical spinal cord injury models because the majority of spinal cord injuries are at cervical levels. Here we examined spontaneous functional recovery of adult rats with either laminectomy or lateral hemisection of the cervical spinal cord at C3-C4. Behavioral tests were carried out, including the forelimb locomotor scale (FLS), a postural instability test (PIT), a pasta-handling test that has been used to assess forepaw digit function and latency to eat, forelimb use during vertical-lateral wall exploration in a cylindrical enclosure, and vibrissae-elicited forelimb placing tests. In addition, a forelimb step-alternation test was developed to assess functional recovery at 12 weeks post-injury. All tests detected cSCI-induced deficits relative to laminectomy. Interestingly, the severity of deficits in the forelimb step-alternation test was associated with more extensive spinal damage, greater impairment, and less recovery in the FLS and other tests. For the pasta-handling test we found that rats with a milder cervical injury (alternators) were more likely to use both forepaws together compared to rats with a more severe injury (non-alternators). In addition, using the PIT, we detected enhanced function of the good limb, suggesting that neural plasticity on the unaffected side of the spinal cord may have occurred to compensate for deficits in the impaired forelimb. These outcome measures should be useful for investigating neural events associated with cSCI, and for developing novel treatment strategies.
Effects of rewiring strategies on information spreading in complex dynamic networks
NASA Astrophysics Data System (ADS)
Ally, Abdulla F.; Zhang, Ning
2018-04-01
Recent advances in networks and communication services have attracted much interest to understand information spreading in social networks. Consequently, numerous studies have been devoted to provide effective and accurate models for mimicking information spreading. However, knowledge on how to spread information faster and more widely remains a contentious issue. Yet, most existing works are based on static networks which limit the reality of dynamism of entities that participate in information spreading. Using the SIR epidemic model, this study explores and compares effects of two rewiring models (Fermi-Dirac and Linear functions) on information spreading in scale free and small world networks. Our results show that for all the rewiring strategies, the spreading influence replenishes with time but stabilizes in a steady state at later time-steps. This means that information spreading takes-off during the initial spreading steps, after which the spreading prevalence settles toward its equilibrium, with majority of the population having recovered and thus, no longer affecting the spreading. Meanwhile, rewiring strategy based on Fermi-Dirac distribution function in one way or another impedes the spreading process, however, the structure of the networks mimic the spreading, even with a low spreading rate. The worst case can be when the spreading rate is extremely small. The results emphasize that despite a big role of such networks in mimicking the spreading, the role of the parameters cannot be simply ignored. Apparently, the probability of giant degree neighbors being informed grows much faster with the rewiring strategy of linear function compared to that of Fermi-Dirac distribution function. Clearly, rewiring model based on linear function generates the fastest spreading across the networks. Therefore, if we are interested in speeding up the spreading process in stochastic modeling, linear function may play a pivotal role.
Milanesi, P; Holderegger, R; Bollmann, K; Gugerli, F; Zellweger, F
2017-02-01
Estimating connectivity among fragmented habitat patches is crucial for evaluating the functionality of ecological networks. However, current estimates of landscape resistance to animal movement and dispersal lack landscape-level data on local habitat structure. Here, we used a landscape genetics approach to show that high-fidelity habitat structure maps derived from Light Detection and Ranging (LiDAR) data critically improve functional connectivity estimates compared to conventional land cover data. We related pairwise genetic distances of 128 Capercaillie (Tetrao urogallus) genotypes to least-cost path distances at multiple scales derived from land cover data. Resulting β values of linear mixed effects models ranged from 0.372 to 0.495, while those derived from LiDAR ranged from 0.558 to 0.758. The identification and conservation of functional ecological networks suffering from habitat fragmentation and homogenization will thus benefit from the growing availability of detailed and contiguous data on three-dimensional habitat structure and associated habitat quality. © 2016 by the Ecological Society of America.
NASA Astrophysics Data System (ADS)
Foresti, L.; Reyniers, M.; Seed, A.; Delobbe, L.
2016-01-01
The Short-Term Ensemble Prediction System (STEPS) is implemented in real-time at the Royal Meteorological Institute (RMI) of Belgium. The main idea behind STEPS is to quantify the forecast uncertainty by adding stochastic perturbations to the deterministic Lagrangian extrapolation of radar images. The stochastic perturbations are designed to account for the unpredictable precipitation growth and decay processes and to reproduce the dynamic scaling of precipitation fields, i.e., the observation that large-scale rainfall structures are more persistent and predictable than small-scale convective cells. This paper presents the development, adaptation and verification of the STEPS system for Belgium (STEPS-BE). STEPS-BE provides in real-time 20-member ensemble precipitation nowcasts at 1 km and 5 min resolutions up to 2 h lead time using a 4 C-band radar composite as input. In the context of the PLURISK project, STEPS forecasts were generated to be used as input in sewer system hydraulic models for nowcasting urban inundations in the cities of Ghent and Leuven. Comprehensive forecast verification was performed in order to detect systematic biases over the given urban areas and to analyze the reliability of probabilistic forecasts for a set of case studies in 2013 and 2014. The forecast biases over the cities of Leuven and Ghent were found to be small, which is encouraging for future integration of STEPS nowcasts into the hydraulic models. Probabilistic forecasts of exceeding 0.5 mm h-1 are reliable up to 60-90 min lead time, while the ones of exceeding 5.0 mm h-1 are only reliable up to 30 min. The STEPS ensembles are slightly under-dispersive and represent only 75-90 % of the forecast errors.
NASA Astrophysics Data System (ADS)
Foresti, L.; Reyniers, M.; Seed, A.; Delobbe, L.
2015-07-01
The Short-Term Ensemble Prediction System (STEPS) is implemented in real-time at the Royal Meteorological Institute (RMI) of Belgium. The main idea behind STEPS is to quantify the forecast uncertainty by adding stochastic perturbations to the deterministic Lagrangian extrapolation of radar images. The stochastic perturbations are designed to account for the unpredictable precipitation growth and decay processes and to reproduce the dynamic scaling of precipitation fields, i.e. the observation that large scale rainfall structures are more persistent and predictable than small scale convective cells. This paper presents the development, adaptation and verification of the system STEPS for Belgium (STEPS-BE). STEPS-BE provides in real-time 20 member ensemble precipitation nowcasts at 1 km and 5 min resolution up to 2 h lead time using a 4 C-band radar composite as input. In the context of the PLURISK project, STEPS forecasts were generated to be used as input in sewer system hydraulic models for nowcasting urban inundations in the cities of Ghent and Leuven. Comprehensive forecast verification was performed in order to detect systematic biases over the given urban areas and to analyze the reliability of probabilistic forecasts for a set of case studies in 2013 and 2014. The forecast biases over the cities of Leuven and Ghent were found to be small, which is encouraging for future integration of STEPS nowcasts into the hydraulic models. Probabilistic forecasts of exceeding 0.5 mm h-1 are reliable up to 60-90 min lead time, while the ones of exceeding 5.0 mm h-1 are only reliable up to 30 min. The STEPS ensembles are slightly under-dispersive and represent only 80-90 % of the forecast errors.
ERIC Educational Resources Information Center
Seiverling, Laura; Hendy, Helen M.; Williams, Keith
2011-01-01
The present study evaluated the 23-item Screening Tool for Feeding Problems (STEP; Matson & Kuhn, 2001) with a sample of children referred to a hospital-based feeding clinic to examine the scale's psychometric characteristics and then demonstrate how a children's revision of the STEP, the STEP-CHILD is associated with child and parent variables.…
Master, Hiral; Thoma, Louise M; Christiansen, Meredith B; Polakowski, Emily; Schmitt, Laura A; White, Daniel K
2018-07-01
Evidence of physical function difficulties, such as difficulty rising from a chair, may limit daily walking for people with knee osteoarthritis (OA). The purpose of this study was to identify minimum performance thresholds on clinical tests of physical function predictive to walking ≥6,000 steps/day. This benchmark is known to discriminate people with knee OA who develop functional limitation over time from those who do not. Using data from the Osteoarthritis Initiative, we quantified daily walking as average steps/day from an accelerometer (Actigraph GT1M) worn for ≥10 hours/day over 1 week. Physical function was quantified using 3 performance-based clinical tests: 5 times sit-to-stand test, walking speed (tested over 20 meters), and 400-meter walk test. To identify minimum performance thresholds for daily walking, we calculated physical function values corresponding to high specificity (80-95%) to predict walking ≥6,000 steps/day. Among 1,925 participants (mean ± SD age 65.1 ± 9.1 years, mean ± SD body mass index 28.4 ± 4.8 kg/m 2 , and 55% female) with valid accelerometer data, 54.9% walked ≥6,000 steps/day. High specificity thresholds of physical function for walking ≥6,000 steps/day ranged 11.4-14.0 seconds on the 5 times sit-to-stand test, 1.13-1.26 meters/second for walking speed, or 315-349 seconds on the 400-meter walk test. Not meeting these minimum performance thresholds on clinical tests of physical function may indicate inadequate physical ability to walk ≥6,000 steps/day for people with knee OA. Rehabilitation may be indicated to address underlying impairments limiting physical function. © 2017, American College of Rheumatology.
Step climbing capacity in patients with pulmonary hypertension.
Fox, Benjamin Daniel; Langleben, David; Hirsch, Andrew; Boutet, Kim; Shimony, Avi
2013-01-01
Patients with pulmonary hypertension (PH) typically have exercise intolerance and limitation in climbing steps. To explore the exercise physiology of step climbing in PH patients, on a laboratory-based step test. We built a step oximetry system from an 'aerobics' step equipped with pressure sensors and pulse oximeter linked to a computer. Subjects mounted and dismounted from the step until their maximal exercise capacity or 200 steps was achieved. Step-count, SpO(2) and heart rate were monitored throughout exercise and recovery. We derived indices of exercise performance, desaturation and heart rate. A 6-min walk test and serum NT-proBrain Natriuretic Peptide (BNP) level were measured. Lung function tests and hemodynamic parameters were extracted from the medical record. Eighty-six subjects [52 pulmonary arterial hypertension (PAH), 14 chronic thromboembolic PH (CTEPH), 20 controls] were recruited. Exercise performance (climbing time, height gained, velocity, energy expenditure, work-rate and climbing index) on the step test was significantly worse with PH and/or worsening WHO functional class (ANOVA, p < 0.001). There was a good correlation between exercise performance on the step and 6-min walking distance-climb index (r = -0.77, p < 0.0001). The saturation deviation (mean of SpO(2) values <95 %) on the step test correlated with diffusion capacity of the lung (ρ = -0.49, p = 0.001). No correlations were found between the step test indices and other lung function tests, hemodynamic parameters or NT-proBNP levels. Patients with PAH/CTEPH have significant limitation in step climbing ability that correlates with functional class and 6-min walking distance. This is a significant impediment to their daily activities.
Planetesimal Formation through the Streaming Instability
NASA Astrophysics Data System (ADS)
Yang, Chao-Chin; Johansen, Anders; Schäfer, Urs
2015-12-01
The streaming instability is a promising mechanism to circumvent the barriers in direct dust growth and lead to the formation of planetesimals, as demonstrated by many previous studies. In order to resolve the thin layer of solids, however, most of these studies were focused on a local region of a protoplanetary disk with a limited simulation domain. It remains uncertain how the streaming instability is affected by the disk gas on large scales, and models that have sufficient dynamical range to capture both the thin particle layer and the large-scale disk dynamics are required.We hereby systematically push the limits of the computational domain up to more than the gas scale height, and study the particle-gas interaction on large scales in the saturated state of the streaming instability and the initial mass function of the resulting planetesimals. To overcome the numerical challenges posed by this kind of models, we have developed a new technique to simultaneously relieve the stringent time step constraints due to small-sized particles and strong local solid concentrations. Using these models, we demonstrate that the streaming instability can drive multiple radial, filamentary concentrations of solids, implying that planetesimals are born in well separated belt-like structures. We also find that the initial mass function of planetesimals via the streaming instability has a characteristic exponential form, which is robust against computational domain as well as resolution. These findings will help us further constrain the cosmochemical history of the Solar system as well as the planet formation theory in general.
2017-01-01
Solvation is a fundamental driving force in many biological processes including biomolecular recognition and self-assembly, not to mention protein folding, dynamics, and function. The variational implicit solvent method (VISM) is a theoretical tool currently developed and optimized to estimate solvation free energies for systems of very complex topology, such as biomolecules. VISM’s theoretical framework makes it unique because it couples hydrophobic, van der Waals, and electrostatic interactions as a functional of the solvation interface. By minimizing this functional, VISM produces the solvation interface as an output of the theory. In this work, we push VISM to larger scale applications by combining it with coarse-grained solute Hamiltonians adapted from the MARTINI framework, a well-established mesoscale force field for modeling large-scale biomolecule assemblies. We show how MARTINI-VISM (MVISM) compares with atomistic VISM (AVISM) for a small set of proteins differing in size, shape, and charge distribution. We also demonstrate MVISM’s suitability to study the solvation properties of an interesting encounter complex, barnase–barstar. The promising results suggest that coarse-graining the protein with the MARTINI force field is indeed a valuable step to broaden VISM’s and MARTINI’s applications in the near future. PMID:28613904
NASA Astrophysics Data System (ADS)
Vollant, A.; Balarac, G.; Corre, C.
2017-09-01
New procedures are explored for the development of models in the context of large eddy simulation (LES) of a passive scalar. They rely on the combination of the optimal estimator theory with machine-learning algorithms. The concept of optimal estimator allows to identify the most accurate set of parameters to be used when deriving a model. The model itself can then be defined by training an artificial neural network (ANN) on a database derived from the filtering of direct numerical simulation (DNS) results. This procedure leads to a subgrid scale model displaying good structural performance, which allows to perform LESs very close to the filtered DNS results. However, this first procedure does not control the functional performance so that the model can fail when the flow configuration differs from the training database. Another procedure is then proposed, where the model functional form is imposed and the ANN used only to define the model coefficients. The training step is a bi-objective optimisation in order to control both structural and functional performances. The model derived from this second procedure proves to be more robust. It also provides stable LESs for a turbulent plane jet flow configuration very far from the training database but over-estimates the mixing process in that case.
Development of Ultra-Fine Multigroup Cross Section Library of the AMPX/SCALE Code Packages
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jeon, Byoung Kyu; Sik Yang, Won; Kim, Kang Seog
The Consortium for Advanced Simulation of Light Water Reactors Virtual Environment for Reactor Applications (VERA) neutronic simulator MPACT is being developed by Oak Ridge National Laboratory and the University of Michigan for various reactor applications. The MPACT and simplified MPACT 51- and 252-group cross section libraries have been developed for the MPACT neutron transport calculations by using the AMPX and Standardized Computer Analyses for Licensing Evaluations (SCALE) code packages developed at Oak Ridge National Laboratory. It has been noted that the conventional AMPX/SCALE procedure has limited applications for fast-spectrum systems such as boiling water reactor (BWR) fuels with very highmore » void fractions and fast reactor fuels because of its poor accuracy in unresolved and fast energy regions. This lack of accuracy can introduce additional error sources to MPACT calculations, which is already limited by the Bondarenko approach for resolved resonance self-shielding calculation. To enhance the prediction accuracy of MPACT for fast-spectrum reactor analyses, the accuracy of the AMPX/SCALE code packages should be improved first. The purpose of this study is to identify the major problems of the AMPX/SCALE procedure in generating fast-spectrum cross sections and to devise ways to improve the accuracy. For this, various benchmark problems including a typical pressurized water reactor fuel, BWR fuels with various void fractions, and several fast reactor fuels were analyzed using the AMPX 252-group libraries. Isotopic reaction rates were determined by SCALE multigroup (MG) calculations and compared with continuous energy (CE) Monte Carlo calculation results. This reaction rate analysis revealed three main contributors to the observed differences in reactivity and reaction rates: (1) the limitation of the Bondarenko approach in coarse energy group structure, (2) the normalization issue of probability tables, and (3) neglect of the self-shielding effect of resonance-like cross sections at high energy range such as (n,p) cross section of Cl35. The first error source can be eliminated by an ultra-fine group (UFG) structure in which the broad scattering resonances of intermediate-weight nuclides can be represented accurately by a piecewise constant function. A UFG AMPX library was generated with modified probability tables and tested against various benchmark problems. The reactivity and reaction rates determined with the new UFG AMPX library agreed very well with respect to Monte Carlo Neutral Particle (MCNP) results. To enhance the lattice calculation accuracy without significantly increasing the computational time, performing the UFG lattice calculation in two steps was proposed. In the first step, a UFG slowing-down calculation is performed for the corresponding homogenized composition, and UFG cross sections are collapsed into an intermediate group structure. In the second step, the lattice calculation is performed for the intermediate group level using the condensed group cross sections. A preliminary test showed that the condensed library reproduces the results obtained with the UFG cross section library. This result suggests that the proposed two-step lattice calculation approach is a promising option to enhance the applicability of the AMPX/SCALE system to fast system analysis.« less
NASA Astrophysics Data System (ADS)
Herrington, A. R.; Reed, K. A.
2018-02-01
A set of idealized experiments are developed using the Community Atmosphere Model (CAM) to understand the vertical velocity response to reductions in forcing scale that is known to occur when the horizontal resolution of the model is increased. The test consists of a set of rising bubble experiments, in which the horizontal radius of the bubble and the model grid spacing are simultaneously reduced. The test is performed with moisture, through incorporating moist physics routines of varying complexity, although convection schemes are not considered. Results confirm that the vertical velocity in CAM is to first-order, proportional to the inverse of the horizontal forcing scale, which is consistent with a scale analysis of the dry equations of motion. In contrast, experiments in which the coupling time step between the moist physics routines and the dynamical core (i.e., the "physics" time step) are relaxed back to more conventional values results in severely damped vertical motion at high resolution, degrading the scaling. A set of aqua-planet simulations using different physics time steps are found to be consistent with the results of the idealized experiments.
Intrinsic flexibility of B-DNA: the experimental TRX scale.
Heddi, Brahim; Oguey, Christophe; Lavelle, Christophe; Foloppe, Nicolas; Hartmann, Brigitte
2010-01-01
B-DNA flexibility, crucial for DNA-protein recognition, is sequence dependent. Free DNA in solution would in principle be the best reference state to uncover the relation between base sequences and their intrinsic flexibility; however, this has long been hampered by a lack of suitable experimental data. We investigated this relationship by compiling and analyzing a large dataset of NMR (31)P chemical shifts in solution. These measurements reflect the BI <--> BII equilibrium in DNA, intimately correlated to helicoidal descriptors of the curvature, winding and groove dimensions. Comparing the ten complementary DNA dinucleotide steps indicates that some steps are much more flexible than others. This malleability is primarily controlled at the dinucleotide level, modulated by the tetranucleotide environment. Our analyses provide an experimental scale called TRX that quantifies the intrinsic flexibility of the ten dinucleotide steps in terms of Twist, Roll, and X-disp (base pair displacement). Applying the TRX scale to DNA sequences optimized for nucleosome formation reveals a 10 base-pair periodic alternation of stiff and flexible regions. Thus, DNA flexibility captured by the TRX scale is relevant to nucleosome formation, suggesting that this scale may be of general interest to better understand protein-DNA recognition.
Peridynamic Multiscale Finite Element Methods
DOE Office of Scientific and Technical Information (OSTI.GOV)
Costa, Timothy; Bond, Stephen D.; Littlewood, David John
The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic andmore » local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the art of local models with the flexibility and accuracy of the nonlocal peridynamic model. In the mixed locality method this coupling occurs across scales, so that the nonlocal model can be used to communicate material heterogeneity at scales inappropriate to local partial differential equation models. Additionally, the computational burden of the weak form of the peridynamic model is reduced dramatically by only requiring that the model be solved on local patches of the simulation domain which may be computed in parallel, taking advantage of the heterogeneous nature of next generation computing platforms. Addition- ally, we present a novel Galerkin framework, the 'Ambulant Galerkin Method', which represents a first step towards a unified mathematical analysis of local and nonlocal multiscale finite element methods, and whose future extension will allow the analysis of multiscale finite element methods that mix models across scales under certain assumptions of the consistency of those models.« less
NASA Astrophysics Data System (ADS)
Brodie, E.; King, E.; Molins, S.; Karaoz, U.; Steefel, C. I.; Banfield, J. F.; Beller, H. R.; Anantharaman, K.; Ligocki, T. J.; Trebotich, D.
2015-12-01
Pore-scale processes mediated by microorganisms underlie a range of critical ecosystem services, regulating carbon stability, nutrient flux, and the purification of water. Advances in cultivation-independent approaches now provide us with the ability to reconstruct thousands of genomes from microbial populations from which functional roles may be assigned. With this capability to reveal microbial metabolic potential, the next step is to put these microbes back where they belong to interact with their natural environment, i.e. the pore scale. At this scale, microorganisms communicate, cooperate and compete across their fitness landscapes with communities emerging that feedback on the physical and chemical properties of their environment, ultimately altering the fitness landscape and selecting for new microbial communities with new properties and so on. We have developed a trait-based model of microbial activity that simulates coupled functional guilds that are parameterized with unique combinations of traits that govern fitness under dynamic conditions. Using a reactive transport framework, we simulate the thermodynamics of coupled electron donor-acceptor reactions to predict energy available for cellular maintenance, respiration, biomass development, and enzyme production. From metagenomics, we directly estimate some trait values related to growth and identify the linkage of key traits associated with respiration and fermentation, macromolecule depolymerizing enzymes, and other key functions such as nitrogen fixation. Our simulations were carried out to explore abiotic controls on community emergence such as seasonally fluctuating water table regimes across floodplain organic matter hotspots. Simulations and metagenomic/metatranscriptomic observations highlighted the many dependencies connecting the relative fitness of functional guilds and the importance of chemolithoautotrophic lifestyles. Using an X-Ray microCT-derived soil microaggregate physical model combined with genome-enabled reactive flow and transport we simulated the importance of pore network properties including connectivity in regulating metabolic interdependencies between microbial functional guilds.
Connectome-Wide Phenotypical and Genotypical Associations in Focal Dystonia
Fuertinger, Stefan
2017-01-01
Isolated focal dystonia is a debilitating movement disorder of unknown pathophysiology. Early studies in focal dystonias have pointed to segregated changes in brain activity and connectivity. Only recently has the notion that dystonia pathophysiology may lie in abnormalities of large-scale brain networks appeared in the literature. Here, we outline a novel concept of functional connectome-wide alterations that are linked to dystonia phenotype and genotype. Using a neural community detection strategy and graph theoretical analysis of functional MRI data in human patients with the laryngeal form of dystonia (LD) and healthy controls (both males and females), we identified an abnormally widespread hub formation in LD, which particularly affected the primary sensorimotor and parietal cortices and thalamus. Left thalamic regions formed a delineated functional community that highlighted differences in network topology between LD patients with and without family history of dystonia. Conversely, marked differences in the topological organization of parietal regions were found between phenotypically different forms of LD. The interface between sporadic genotype and adductor phenotype of LD yielded four functional communities that were primarily governed by intramodular hub regions. Conversely, the interface between familial genotype and abductor phenotype was associated with numerous long-range hub nodes and an abnormal integration of left thalamus and basal ganglia. Our findings provide the first comprehensive atlas of functional topology across different phenotypes and genotypes of focal dystonia. As such, this study constitutes an important step toward defining dystonia as a large-scale network disorder, understanding its causative pathophysiology, and identifying disorder-specific markers. SIGNIFICANCE STATEMENT The architecture of the functional connectome in focal dystonia was analyzed in a large population of patients with laryngeal dystonia. Breaking with the empirical concept of dystonia as a basal ganglia disorder, we discovered large-scale alterations of neural communities that are significantly influenced by the disorder's clinical phenotype and genotype. PMID:28674168
Brentner, Laura B; Eckelman, Matthew J; Zimmerman, Julie B
2011-08-15
The use of algae as a feedstock for biodiesel production is a rapidly growing industry, in the United States and globally. A life cycle assessment (LCA) is presented that compares various methods, either proposed or under development, for algal biodiesel to inform the most promising pathways for sustainable full-scale production. For this analysis, the system is divided into five distinct process steps: (1) microalgae cultivation, (2) harvesting and/or dewatering, (3) lipid extraction, (4) conversion (transesterification) into biodiesel, and (5) byproduct management. A number of technology options are considered for each process step and various technology combinations are assessed for their life cycle environmental impacts. The optimal option for each process step is selected yielding a best case scenario, comprised of a flat panel enclosed photobioreactor and direct transesterification of algal cells with supercritical methanol. For a functional unit of 10 GJ biodiesel, the best case production system yields a cumulative energy demand savings of more than 65 GJ, reduces water consumption by 585 m(3) and decreases greenhouse gas emissions by 86% compared to a base case scenario typical of early industrial practices, highlighting the importance of technological innovation in algae processing and providing guidance on promising production pathways.
A scale-free network with limiting on vertices
NASA Astrophysics Data System (ADS)
Tang, Lian; Wang, Bin
2010-05-01
We propose and analyze a random graph model which explains a phenomena in the economic company network in which company may not expand its business at some time due to the limiting of money and capacity. The random graph process is defined as follows: at any time-step t, (i) with probability α(k) and independently of other time-step, each vertex vi (i≤t-1) is inactive which means it cannot be connected by more edges, where k is the degree of vi at the time-step t; (ii) a new vertex vt is added along with m edges incident with vt at one time and its neighbors are chosen in the manner of preferential attachment. We prove that the degree distribution P(k) of this random graph process satisfies P(k)∝C1k if α(ṡ) is a constant α0; and P(k)∝C2k-3 if α(ℓ)↓0 as ℓ↑∞, where C1,C2 are two positive constants. The analytical result is found to be in good agreement with that obtained by numerical simulations. Furthermore, we get the degree distributions in this model with m-varying functions by simulation.
Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides
DOE Office of Scientific and Technical Information (OSTI.GOV)
Aljama, Hassan; Nørskov, Jens K.; Abild-Pedersen, Frank
Here, we investigate the role of alkaline metal oxides (AMO) (MgO, CaO, and SrO) in activating the C–H bond in methane. We also use Density Functional Theory (DFT) and microkinetic modeling to study the catalytic elementary steps in breaking the C–H bond in methane and creating the methyl radical, a precursor prior to creating C2 products. We also study the effects of surface geometry on the catalytic activity of AMO by examining terrace and step sites. We observe that the process of activating methane depends strongly on the structure of the AMO. When the AMO surface is doped with anmore » alkali metal, the transition state (TS) structure has a methyl radical-like behavior, where the methyl radical interacts weakly with the AMO surface. In this case, the TS energy scales with the hydrogen binding energy. On pure AMO, the TS interacts with AMO surface oxygen as well as the metal atom on the surface, and consequently the TS energy scales with the binding energy of hydrogen and methyl. We study the activity of AMO using a mean-field microkinetic model. The results indicate that terrace sites have similar catalytic activity, with the exception of MgO(100). Step sites bind hydrogen more strongly, making them more active, and this confirms previously reported experimental results. We map the catalytic activity of AMO using a volcano plot with two descriptors: the methyl and the hydrogen binding energies, with the latter being a more significant descriptor. The microkinetic model results suggest that C–H bond dissociation is not always the rate-limiting step. At weak hydrogen binding, the reaction is limited by C–H bond activation. At strong hydrogen binding, the reaction is limited due to poisoning of the active site. We found an increase in activity of AMO as the basicity increased. Finally, the developed microkinetic model allows screening for improved catalysts using simple calculations of the hydrogen binding energy.« less
Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides
Aljama, Hassan; Nørskov, Jens K.; Abild-Pedersen, Frank
2017-07-17
Here, we investigate the role of alkaline metal oxides (AMO) (MgO, CaO, and SrO) in activating the C–H bond in methane. We also use Density Functional Theory (DFT) and microkinetic modeling to study the catalytic elementary steps in breaking the C–H bond in methane and creating the methyl radical, a precursor prior to creating C2 products. We also study the effects of surface geometry on the catalytic activity of AMO by examining terrace and step sites. We observe that the process of activating methane depends strongly on the structure of the AMO. When the AMO surface is doped with anmore » alkali metal, the transition state (TS) structure has a methyl radical-like behavior, where the methyl radical interacts weakly with the AMO surface. In this case, the TS energy scales with the hydrogen binding energy. On pure AMO, the TS interacts with AMO surface oxygen as well as the metal atom on the surface, and consequently the TS energy scales with the binding energy of hydrogen and methyl. We study the activity of AMO using a mean-field microkinetic model. The results indicate that terrace sites have similar catalytic activity, with the exception of MgO(100). Step sites bind hydrogen more strongly, making them more active, and this confirms previously reported experimental results. We map the catalytic activity of AMO using a volcano plot with two descriptors: the methyl and the hydrogen binding energies, with the latter being a more significant descriptor. The microkinetic model results suggest that C–H bond dissociation is not always the rate-limiting step. At weak hydrogen binding, the reaction is limited by C–H bond activation. At strong hydrogen binding, the reaction is limited due to poisoning of the active site. We found an increase in activity of AMO as the basicity increased. Finally, the developed microkinetic model allows screening for improved catalysts using simple calculations of the hydrogen binding energy.« less
Large scale crystallization of protein pharmaceuticals in microgravity via temperature change
NASA Technical Reports Server (NTRS)
Long, Marianna M.
1992-01-01
The major objective of this research effort is the temperature driven growth of protein crystals in large batches in the microgravity environment of space. Pharmaceutical houses are developing protein products for patient care, for example, human insulin, human growth hormone, interferons, and tissue plasminogen activator or TPA, the clot buster for heart attack victims. Except for insulin, these are very high value products; they are extremely potent in small quantities and have a great value per gram of material. It is feasible that microgravity crystallization can be a cost recoverable, economically sound final processing step in their manufacture. Large scale protein crystal growth in microgravity has significant advantages from the basic science and the applied science standpoints. Crystal growth can proceed unhindered due to lack of surface effects. Dynamic control is possible and relatively easy. The method has the potential to yield large quantities of pure crystalline product. Crystallization is a time honored procedure for purifying organic materials and microgravity crystallization could be the final step to remove trace impurities from high value protein pharmaceuticals. In addition, microgravity grown crystals could be the final formulation for those medicines that need to be administered in a timed release fashion. Long lasting insulin, insulin lente, is such a product. Also crystalline protein pharmaceuticals are more stable for long-term storage. Temperature, as the initiation step, has certain advantages. Again, dynamic control of the crystallization process is possible and easy. A temperature step is non-invasive and is the most subtle way to control protein solubility and therefore crystallization. Seeding is not necessary. Changes in protein and precipitant concentrations and pH are not necessary. Finally, this method represents a new way to crystallize proteins in space that takes advantage of the unique microgravity environment. The results from two flights showed that the hardware performed perfectly, many crystals were produced, and they were much larger than their ground grown controls. Morphometric analysis was done on over 4,000 crystals to establish crystal size, size distribution, and relative size. Space grown crystals were remarkably larger than their earth grown counterparts and crystal size was a function of PCF volume. That size distribution for the space grown crystals was a function of PCF volume may indicate that ultimate size was a function of temperature gradient. Since the insulin protein concentration was very low, 0.4 mg/ml, the size distribution could also be following the total amount of protein in each of the PCF's. X-ray analysis showed that the bigger space grown insulin crystals diffracted to higher resolution than their ground grown controls. When the data were normalized for size, they still indicated that the space crystals were better than the ground crystals.
Multiscale diffusion of a molecular probe in a crowded environment: a concept
NASA Astrophysics Data System (ADS)
Currie, Megan; Thao, Chang; Timerman, Randi; Welty, Robb; Berry, Brenden; Sheets, Erin D.; Heikal, Ahmed A.
2015-08-01
Living cells are crowded with macromolecules and organelles. Yet, it is not fully understood how macromolecular crowding affects the myriad of biochemical reactions, transport and the structural stability of biomolecules that are essential to cellular function and survival. These molecular processes, with or without electrostatic interactions, in living cells are therefore expected to be distinct from those carried out in test tube in dilute solutions where excluded volumes are absent. Thus there is an urgent need to understand the macromolecular crowding effects on cellular and molecular biophysics towards quantitative cell biology. In this report, we investigated how biomimetic crowding affects both the rotational and translation diffusion of a small probe (rhodamine green, RhG). For biomimetic crowding agents, we used Ficoll-70 (synthetic polymer), bovine serum albumin and ovalbumin (proteins) at various concentrations in a buffer at room temperature. As a control, we carried out similar measurements on glycerolenriched buffer as an environment with homogeneous viscosity as a function of glycerol concentration. The corresponding bulk viscosity was measured independently to test the validity of the Stokes-Einstein model of a diffusing species undergoing a random walk. For rotational diffusion (ps-ns time scale), we used time-resolved anisotropy measurements to examine potential binding of RhG as a function of the crowding agents (surface structure and size). For translational diffusion (μs-s time scale), we used fluorescence correlation spectroscopy for single-molecule fluctuation analysis. Our results allow us to examine the diffusion model of a molecular probe in crowded environments as a function of concentration, length scale, homogeneous versus heterogeneous viscosity, size and surface structures. These biomimetic crowding studies, using non-invasive fluorescence spectroscopy methods, represent an important step towards understanding cellular biophysics and quantitative cell biology.
Accessing FMS Functionality: The Impact of Design on Learning
NASA Technical Reports Server (NTRS)
Fennell, Karl; Sherry, Lance; Roberts, Ralph, Jr.
2004-01-01
In modern commercial and military aircraft, the Flight Management System (FMS) lies at the heart of the functionality of the airplane. The nature of the FMS has also caused great difficulties learning and accessing this functionality. This study examines actual Air Force pilots who were qualified on the newly introduced advanced FMS and shows that the design of the system itself is a primary source of difficulty learning the system. Twenty representative tasks were selected which the pilots could be expected to accomplish on an ' actual flight. These tasks were analyzed using the RAFIV stage model (Sherry, Polson, et al. 2002). This analysis demonstrates that a great burden is placed on remembering complex reformulation of the task to function mapping. 65% of the tasks required retaining one access steps in memory to accomplish the task, 20% required two memorized access steps, and 15% required zero memorized access steps. The probability that a participant would make an access error on the tasks was: two memorized access steps - 74%, one memorized access step - 13%, and zero memorized access steps - 6%. Other factors were analyzed as well, including experience with the system and frequency of use. This completed the picture of a system with many memorized steps causing difficulty with the new system, especially when trying to fine where to access the correct function.
Zang, Yuguo; Kammerer, Bernd; Eisenkolb, Maike; Lohr, Katrin; Kiefer, Hans
2011-01-01
Crystallization conditions of an intact monoclonal IgG4 (immunoglobulin G, subclass 4) antibody were established in vapor diffusion mode by sparse matrix screening and subsequent optimization. The procedure was transferred to microbatch conditions and a phase diagram was built showing surprisingly low solubility of the antibody at equilibrium. With up-scaling to process scale in mind, purification efficiency of the crystallization step was investigated. Added model protein contaminants were excluded from the crystals to more than 95%. No measurable loss of Fc-binding activity was observed in the crystallized and redissolved antibody. Conditions could be adapted to crystallize the antibody directly from concentrated and diafiltrated cell culture supernatant, showing purification efficiency similar to that of Protein A chromatography. We conclude that crystallization has the potential to be included in downstream processing as a low-cost purification or formulation step. PMID:21966480
NASA Technical Reports Server (NTRS)
Wong, R. C.; Owen, H. A., Jr.; Wilson, T. G.
1981-01-01
Small-signal models are derived for the power stage of the voltage step-up (boost) and the current step-up (buck) converters. The modeling covers operation in both the continuous-mmf mode and the discontinuous-mmf mode. The power stage in the regulated current step-up converter on board the Dynamics Explorer Satellite is used as an example to illustrate the procedures in obtaining the small-signal functions characterizing a regulated converter.
Crosstalk Cancellation for a Simultaneous Phase Shifting Interferometer
NASA Technical Reports Server (NTRS)
Olczak, Eugene (Inventor)
2014-01-01
A method of minimizing fringe print-through in a phase-shifting interferometer, includes the steps of: (a) determining multiple transfer functions of pixels in the phase-shifting interferometer; (b) computing a crosstalk term for each transfer function; and (c) displaying, to a user, a phase-difference map using the crosstalk terms computed in step (b). Determining a transfer function in step (a) includes measuring intensities of a reference beam and a test beam at the pixels, and measuring an optical path difference between the reference beam and the test beam at the pixels. Computing crosstalk terms in step (b) includes computing an N-dimensional vector, where N corresponds to the number of transfer functions, and the N-dimensional vector is obtained by minimizing a variance of a modulation function in phase shifted images.
Extreme events as foundation of Lévy walks with varying velocity
NASA Astrophysics Data System (ADS)
Kutner, Ryszard
2002-11-01
In this work we study the role of extreme events [E.W. Montroll, B.J. West, in: J.L. Lebowitz, E.W. Montrell (Eds.), Fluctuation Phenomena, SSM, vol. VII, North-Holland, Amsterdam, 1979, p. 63; J.-P. Bouchaud, M. Potters, Theory of Financial Risks from Statistical Physics to Risk Management, Cambridge University Press, Cambridge, 2001; D. Sornette, Critical Phenomena in Natural Sciences. Chaos, Fractals, Selforganization and Disorder: Concepts and Tools, Springer, Berlin, 2000] in determining the scaling properties of Lévy walks with varying velocity. This model is an extension of the well-known Lévy walks one [J. Klafter, G. Zumofen, M.F. Shlesinger, in M.F. Shlesinger, G.M. Zaslavsky, U. Frisch (Eds.), Lévy Flights and Related Topics ion Physics, Lecture Notes in Physics, vol. 450, Springer, Berlin, 1995, p. 196; G. Zumofen, J. Klafter, M.F. Shlesinger, in: R. Kutner, A. Pȩkalski, K. Sznajd-Weron (Eds.), Anomalous Diffusion. From Basics to Applications, Lecture Note in Physics, vol. 519, Springer, Berlin, 1999, p. 15] introduced in the context of chaotic dynamics where a fixed value of the walker velocity is assumed for simplicity. Such an extension seems to be necessary when the open and/or complex system is studied. The model of Lévy walks with varying velocity is spanned on two coupled velocity-temporal hierarchies: the first one consisting of velocities and the second of corresponding time intervals which the walker spends between the successive turning points. Both these hierarchical structures are characterized by their own self-similar dimensions. The extreme event, which can appear within a given time interval, is defined as a single random step of the walker having largest length. By finding power-laws which describe the time-dependence of this displacement and its statistics we obtained two independent diffusion exponents, which are related to the above-mentioned dimensions and which characterize the extreme event kinetics. In this work we show the principal influence of extreme events on the basic quantities (one-step distributions and moments as well as two-step correlation functions) of the continuous-time random walk formalism. Besides, we construct both the waiting-time distribution and sojourn probability density directly in a real space and time in the scaling form by proper component analysis which takes into account all possible fluctuations of the walker steps in contrast to the extreme event analysis. In this work we pay our attention to the basic quantities, since the summarized multi-step ones were already discussed earlier [Physica A 264 (1999) 107; Comp. Phys. Commun. 147 (2002) 565]. Moreover, we study not only the scaling phenomena but also, assuming a finite number of hierarchy levels, the breaking of scaling and its dependence on control parameters. This seems to be important for studying empirical systems the more so as there are still no closed formulae describing this phenomenon except the one for truncated Lévy flights [Phys. Rev. Lett. 73 (1994) 2946]. Our formulation of the model made possible to develop an efficient Monte Carlo algorithm [Physica A 264 (1999) 107; Comp. Phys. Commun. 147 (2002) 565] where no MC step is lost.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bracco, Jacquelyn N.; Gooijer, Yiscka; Higgins, Steven R.
The rate of growth of ionic minerals from solutions with varying aqueous cation:anion ratios may result in significant errors in mineralization rates predicted by commonly-used affinity-based rate equations. To assess the potential influence of solute stoichiometry on barite growth, step velocities on the barite (001) surface have been measured at 108 °C using hydrothermal atomic force microscopy (HAFM) at moderate supersaturation and as a function of the aqueous barium:sulfate ratio (r). Barite growth hillocks at r ~ 1 were bounded bymore » $$\\langle$$120$$\\rangle$$ steps, however at r < 1, kink site densities increased, steps followed a direction vicinal to $$\\langle$$120$$\\rangle$$, and the [010] steps developed. At r > 1, steps roughened and rounded as the kink site density increased. Step velocities peaked at r = 1 and decreased roughly symmetrically as a function of r, indicating the attachment rates of barium and sulfate ions are similar under these conditions. We hypothesize that the differences in our observations at high and low r arise from differences in the attachment rate constants for the obtuse and acute $$\\langle$$120$$\\rangle$$ steps. Based on results at low r, the data suggests the attachment rate constant for barium ions is similar for obtuse and acute steps. Based on results at high r, the data suggests the attachment rate constant for sulfate is greater for obtuse steps than acute steps. In conclusion, utilizing a step growth model developed by Stack and Grantham (2010) the experimental step velocities as a function of r were readily fit while attempts to fit the data using a model developed by Zhang and Nancollas (1998) were less successful.« less
Bracco, Jacquelyn N.; Gooijer, Yiscka; Higgins, Steven R.
2016-03-19
The rate of growth of ionic minerals from solutions with varying aqueous cation:anion ratios may result in significant errors in mineralization rates predicted by commonly-used affinity-based rate equations. To assess the potential influence of solute stoichiometry on barite growth, step velocities on the barite (001) surface have been measured at 108 °C using hydrothermal atomic force microscopy (HAFM) at moderate supersaturation and as a function of the aqueous barium:sulfate ratio (r). Barite growth hillocks at r ~ 1 were bounded bymore » $$\\langle$$120$$\\rangle$$ steps, however at r < 1, kink site densities increased, steps followed a direction vicinal to $$\\langle$$120$$\\rangle$$, and the [010] steps developed. At r > 1, steps roughened and rounded as the kink site density increased. Step velocities peaked at r = 1 and decreased roughly symmetrically as a function of r, indicating the attachment rates of barium and sulfate ions are similar under these conditions. We hypothesize that the differences in our observations at high and low r arise from differences in the attachment rate constants for the obtuse and acute $$\\langle$$120$$\\rangle$$ steps. Based on results at low r, the data suggests the attachment rate constant for barium ions is similar for obtuse and acute steps. Based on results at high r, the data suggests the attachment rate constant for sulfate is greater for obtuse steps than acute steps. In conclusion, utilizing a step growth model developed by Stack and Grantham (2010) the experimental step velocities as a function of r were readily fit while attempts to fit the data using a model developed by Zhang and Nancollas (1998) were less successful.« less
NASA Astrophysics Data System (ADS)
Zhang, Yuewei; Liu, Jinghai; Wu, Guan; Chen, Wei
2012-08-01
Energy captured directly from sunlight provides an attractive approach towards fulfilling the need for green energy resources on the terawatt scale with minimal environmental impact. Collecting and storing solar energy into fuel through photocatalyzed water splitting to generate hydrogen in a cost-effective way is desirable. To achieve this goal, low cost and environmentally benign urea was used to synthesize the metal-free photocatalyst graphitic carbon nitride (g-C3N4). A porous structure is achieved via one-step polymerization of the single precursor. The porous structure with increased BET surface area and pore volume shows a much higher hydrogen production rate under simulated sunlight irradiation than thiourea-derived and dicyanamide-derived g-C3N4. The presence of an oxygen atom is presumed to play a key role in adjusting the textural properties. Further improvement of the photocatalytic function can be expected with after-treatment due to its rich chemistry in functionalization.Energy captured directly from sunlight provides an attractive approach towards fulfilling the need for green energy resources on the terawatt scale with minimal environmental impact. Collecting and storing solar energy into fuel through photocatalyzed water splitting to generate hydrogen in a cost-effective way is desirable. To achieve this goal, low cost and environmentally benign urea was used to synthesize the metal-free photocatalyst graphitic carbon nitride (g-C3N4). A porous structure is achieved via one-step polymerization of the single precursor. The porous structure with increased BET surface area and pore volume shows a much higher hydrogen production rate under simulated sunlight irradiation than thiourea-derived and dicyanamide-derived g-C3N4. The presence of an oxygen atom is presumed to play a key role in adjusting the textural properties. Further improvement of the photocatalytic function can be expected with after-treatment due to its rich chemistry in functionalization. Electronic supplementary information (ESI) available: Methods for preparing and characterizing UCN, TCN and DCN samples. Methods for examining the photocatalytic hydrogen production. FTIR, XPS, and digital photos of three products are shown in Fig. S1-6. See DOI: 10.1039/c2nr30948c
Two Independent Contributions to Step Variability during Over-Ground Human Walking
Collins, Steven H.; Kuo, Arthur D.
2013-01-01
Human walking exhibits small variations in both step length and step width, some of which may be related to active balance control. Lateral balance is thought to require integrative sensorimotor control through adjustment of step width rather than length, contributing to greater variability in step width. Here we propose that step length variations are largely explained by the typical human preference for step length to increase with walking speed, which itself normally exhibits some slow and spontaneous fluctuation. In contrast, step width variations should have little relation to speed if they are produced more for lateral balance. As a test, we examined hundreds of overground walking steps by healthy young adults (N = 14, age < 40 yrs.). We found that slow fluctuations in self-selected walking speed (2.3% coefficient of variation) could explain most of the variance in step length (59%, P < 0.01). The residual variability not explained by speed was small (1.5% coefficient of variation), suggesting that step length is actually quite precise if not for the slow speed fluctuations. Step width varied over faster time scales and was independent of speed fluctuations, with variance 4.3 times greater than that for step length (P < 0.01) after accounting for the speed effect. That difference was further magnified by walking with eyes closed, which appears detrimental to control of lateral balance. Humans appear to modulate fore-aft foot placement in precise accordance with slow fluctuations in walking speed, whereas the variability of lateral foot placement appears more closely related to balance. Step variability is separable in both direction and time scale into balance- and speed-related components. The separation of factors not related to balance may reveal which aspects of walking are most critical for the nervous system to control. PMID:24015308
Yang, Jie; Xiong, Liu; Li, Man; Sun, Qingjie
2018-06-20
The pursuit of sustainable functional materials requires the development of materials based on renewable resources and efficient fabrication methods. Here, we first fabricated chitosan-sodium phytate films via one-step-stripping and layer-by-layer-casting technologies. The proposed film-fabrication methods are general, facile, environmentally benign, cost-effective, and easy to scale up. The resultant one-step-stripped film was thin (9 ± 1 μm), soft, transparent, and strong, whereas the thickness of the layer-by-layer-cast film was 70 ± 3 μm. FTIR analysis of the films indicated the formation of interactions between the phosphoric groups in sodium phytate and the amino groups in chitosan. More importantly, the water-vapor-permeability values of the one-step-stripped and cast films were 4-5 orders of magnitude lower than chitosan films reported before. Layer-by-layer-cast films in particular exhibited high tensile strength (49.21 ± 1.12 MPa) and were more than three times stronger than other polyelectrolyte multilayer films. Both types of films remained stable in an acidic environment. Furthermore, the layer-by-layer-assembled films presented greater antimicrobial activity than the stripped films. The developed chitosan-sodium phytate films can enhance several biomedical and environmental applications, such as packaging, drug delivery, diagnostics, microfluidics, and biosensing.
Validation of a Cross-cultural Adaptation of the Hair Specific Skindex-29 Scale to Spanish.
Guerra-Tapia, A; Buendía-Eisman, A; Ferrando, J
2018-06-01
Female androgenetic alopecia (FAA) has considerable impact on quality of life. Our analysis of the clinical scales available in the literature to measure the impact of FAA led us to choose the Hair Specific Skindex 29 (HSS29) as the most appropriate for adaptation to Spanish as a tool for following patients in treatment for FAA. This tool assesses disease impact on quality of life over time so that treatments can be tailored to patients' needs. The HSS29 score reflects impact in 3 domains (emotions, symptoms, and functioning) on a scale of 0 (no effect) to 100 (maximum effect). The scale is useful in routine clinical practice, and patients can respond to all items in 5minutes. We followed recommended procedures to produce a cross-cultural adaptation of the scale. The process involved forward translation of the questionnaire to Spanish followed by back translation by 2 native speakers of the original language (English) and revision as needed after discussion and consensus by a committee of 3 expert dermatologists. The comprehensibility of the resulting translation was assessed in a test-retest step. Next, the psychometric properties, reliability, and construct validity were assessed. Sensitivity and specificity were evaluated with the area under the receiver operating characteristic (ROC) curve, reliability with Cronbach's α, and construct validity by factor analysis using a Varimax rotation. Face validity was also assessed during the process. The intraclass correlation coefficient (ICC) was calculated in the test-retest step. A total of 170 women with FAA and 30 control subjects completed the cross-culturally adapted Spanish questionnaire. A subgroup of 15 subjects responded a second time between 1 and 2 days after their first session (test-retest). Sensitivity and specificity were excellent according to the area under the ROC curve (0.98; 95% CI, 0.97-0.99), and high reliability was reflected by a Cronbach's α of 0.96. Factor analysis showed that the items were grouped in the same 3 domains (functioning, emotions, and symptoms) as in the original version of the scale. There were no significant differences in the mean (SD) scores on the test and the retest (23.05 [16.42] vs. 22.01 [17.72], respectively). The ICC of over 0.9 indicated excellent correlation between responses to the adapted Spanish version. The psychometric properties of the Spanish version of the HSS29 are similar to those of the original scale. The Spanish HSS29 is a useful tool for assessing quality of life in FAA. Copyright © 2018 AEDV. Publicado por Elsevier España, S.L.U. All rights reserved.
Multiscale time-dependent density functional theory: Demonstration for plasmons.
Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J
2017-08-07
Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.
Nano-scaled top-down of bismuth chalcogenides based on electrochemical lithium intercalation
NASA Astrophysics Data System (ADS)
Chen, Jikun; Zhu, Yingjie; Chen, Nuofu; Liu, Xinling; Sun, Zhengliang; Huang, Zhenghong; Kang, Feiyu; Gao, Qiuming; Jiang, Jun; Chen, Lidong
2011-12-01
A two-step method has been used to fabricate nano-particles of layer-structured bismuth chalcogenide compounds, including Bi2Te3, Bi2Se3, and Bi2Se0.3Te2.7, through a nano-scaled top-down route. In the first step, lithium (Li) atoms are intercalated between the van der Waals bonded quintuple layers of bismuth chalcogenide compounds by controllable electrochemical process inside self-designed lithium ion batteries. And in the second step, the Li intercalated bismuth chalcogenides are subsequently exposed to ethanol, in which process the intercalated Li atoms would explode like atom-scaled bombs to exfoliate original microscaled powder into nano-scaled particles with size around 10 nm. The influence of lithium intercalation speed and amount to three types of bismuth chalcogenide compounds are compared and the optimized intercalation conditions are explored. As to maintain the phase purity of the final nano-particle product, the intercalation lithium amount should be well controlled in Se contained bismuth chalcogenide compounds. Besides, compared with binary bismuth chalcogenide compound, lower lithium intercalation speed should be applied in ternary bismuth chalcogenide compound.
Identifying elderly people at risk for cognitive decline by using the 2-step test.
Maruya, Kohei; Fujita, Hiroaki; Arai, Tomoyuki; Hosoi, Toshiki; Ogiwara, Kennichi; Moriyama, Shunnichiro; Ishibashi, Hideaki
2018-01-01
[Purpose] The purpose is to verify the effectiveness of the 2-step test in predicting cognitive decline in elderly individuals. [Subjects and Methods] One hundred eighty-two participants aged over 65 years underwent the 2-step test, cognitive function tests and higher level competence testing. Participants were classified as Robust, <1.3, and <1.1 using criteria regarding the locomotive syndrome risk stage for the 2-step test, variables were compared between groups. In addition, ordered logistic analysis was used to analyze cognitive functions as independent variables in the three groups, using the 2-step test results as the dependent variable, with age, gender, etc. as adjustment factors. [Results] In the crude data, the <1.3 and <1.1 groups were older and displayed lower motor and cognitive functions than did the Robust group. Furthermore, the <1.3 group exhibited significantly lower memory retention than did the Robust group. The 2-step test was related to the Stroop test (β: 0.06, 95% confidence interval: 0.01-0.12). [Conclusion] The finding is that the risk stage of the 2-step test is related to cognitive functions, even at an initial risk stage. The 2-step test may help with earlier detection and implementation of prevention measures for locomotive syndrome and mild cognitive impairment.
Leite, Priscilla; Rangé, Bernard; Kukar-Kiney, Monika; Ridgway, Nancy; Monroe, Kent; Ribas Junior, Rodolfo; Landeira Fernandez, J; Nardi, Antonio Egidio; Silva, Adriana
2013-03-01
To present the process of transcultural adaptation of the Richmond Compulsive Buying Scale to Brazilian Portuguese. For the semantic adaptation step, the scale was translated to Portuguese and then back-translated to English by two professional translators and one psychologist, without any communication between them. The scale was then applied to 20 participants from the general population for language adjustments. For the construct validation step, an exploratory factor analysis was performed, using the scree plot test, principal component analysis for factor extraction, and Varimax rotation. For convergent validity, the correlation matrix was analyzed through Pearson's coefficient. The scale showed easy applicability, satisfactory internal consistency (Cronbach's alpha=.87), and a high correlation with other rating scales for compulsive buying disorder, indicating that it is suitable to be used in the assessment and diagnosis of compulsive buying disorder, as it presents psychometric validity. The Brazilian Portuguese version of the Richmond Compulsive Buying Scale has good validity and reliability.
Visualization of nanocrystal breathing modes at extreme strains
NASA Astrophysics Data System (ADS)
Szilagyi, Erzsi; Wittenberg, Joshua S.; Miller, Timothy A.; Lutker, Katie; Quirin, Florian; Lemke, Henrik; Zhu, Diling; Chollet, Matthieu; Robinson, Joseph; Wen, Haidan; Sokolowski-Tinten, Klaus; Lindenberg, Aaron M.
2015-03-01
Nanoscale dimensions in materials lead to unique electronic and structural properties with applications ranging from site-specific drug delivery to anodes for lithium-ion batteries. These functional properties often involve large-amplitude strains and structural modifications, and thus require an understanding of the dynamics of these processes. Here we use femtosecond X-ray scattering techniques to visualize, in real time and with atomic-scale resolution, light-induced anisotropic strains in nanocrystal spheres and rods. Strains at the percent level are observed in CdS and CdSe samples, associated with a rapid expansion followed by contraction along the nanosphere or nanorod radial direction driven by a transient carrier-induced stress. These morphological changes occur simultaneously with the first steps in the melting transition on hundreds of femtosecond timescales. This work represents the first direct real-time probe of the dynamics of these large-amplitude strains and shape changes in few-nanometre-scale particles.
Managing landscape connectivity for a fragmented area using spatial analysis model at town scale
NASA Astrophysics Data System (ADS)
Liu, Shiliang; Dong, Yuhong; Fu, Wei; Zhang, Zhaoling
2009-10-01
Urban growth has great effect on land uses of its suburbs. The habitat loss and fragmentation in those areas are a main threat to conservation of biodiversity. Enhancing landscape functional connectivity is usually an effective way to maintain high biodiversity level in disturbed area. Taking a small town in Beijing as an example, we designed potential landscape corridors based on identification of landscape element quality and "least-cost" path analysis. We described a general approach to establish the corridor network in such fragmented area at town scale. The results showed that landscape elements position has various effects on landscape suitability. Small forest patches and other green lands such as meadow, shrub, even farmland could be a potential stepping-stone or corridor for animal movements. Also, the analysis reveals that critical areas should be managed to facilitate the movement of dispersers among habitat patches.
Evidence-Based Practice Guideline: Depression Detection in Older Adults With Dementia.
Brown, Ellen Leslie; Raue, Patrick J; Halpert, Karen
2015-11-01
Depression and dementia are the two most common psychiatric syndromes in the older adult population. Depression in older adults with and without dementia often goes unrecognized and untreated. The current guideline recommends a three-step procedure that can be used across health care settings to screen for the presence of depressive symptoms. Implementation of the evidence-based guideline requires administration of the Mini-Mental State Examination and either the Geriatric Depression Scale Short Form or Cornell Scale for Depression in Dementia, depending on level of cognitive functioning. The algorithm provided is designed to be used by nurses, physicians, and social workers for the purpose of depression screening in older adults with dementia. Detection of depression in individuals with dementia is hindered by a lack of a validated, brief screening tool. More research is needed on the use of such screenings among older adults with cognitive impairment. Copyright 2015, SLACK Incorporated.
Carbon diffusion in bulk hcp zirconium: A multi-scale approach
NASA Astrophysics Data System (ADS)
Xu, Y.; Roques, J.; Domain, C.; Simoni, E.
2016-05-01
In the framework of the geological repository of the used fuel claddings of pressurized water reactor, carbon behavior in bulk zirconium is studied by periodic Density Functional Theory calculations. The C interstitial sites were investigated and it was found that there are two possible carbon interstitial sites: a distorted basal tetragonal site and an octahedral site. There are four types of possible atomic jumps between them. After calculating the migration energies, the attempt frequencies and the jump probabilities for each possible migration path, kinetic Monte Carlo (KMC) simulations were performed to simulate carbon diffusion at the macroscopic scale. The results show that carbon diffusion in pure Zr bulk is extremely limited at the storage temperature (50 °C). Since there are defects in Zr bulk, in a second step, the effect of atomic vacancy was studied and it was proved that vacancies cannot increase carbon diffusion.
Lampa, Samuel; Alvarsson, Jonathan; Spjuth, Ola
2016-01-01
Predictive modelling in drug discovery is challenging to automate as it often contains multiple analysis steps and might involve cross-validation and parameter tuning that create complex dependencies between tasks. With large-scale data or when using computationally demanding modelling methods, e-infrastructures such as high-performance or cloud computing are required, adding to the existing challenges of fault-tolerant automation. Workflow management systems can aid in many of these challenges, but the currently available systems are lacking in the functionality needed to enable agile and flexible predictive modelling. We here present an approach inspired by elements of the flow-based programming paradigm, implemented as an extension of the Luigi system which we name SciLuigi. We also discuss the experiences from using the approach when modelling a large set of biochemical interactions using a shared computer cluster.Graphical abstract.
The Role of Flight Experiments in the Development of Cryogenic Fluid Management Technologies
NASA Technical Reports Server (NTRS)
Chato, David J.
2006-01-01
This paper reviews the history of cryogenic fluid management technology development and infusion into both the Saturn and Centaur vehicles. Ground testing and analysis proved inadequate to demonstrate full scale performance. As a consequence flight demonstration with a full scale vehicle was required by both the Saturn and Centaur programs to build confidence that problems were addressed. However; the flight vehicles were highly limited on flight instrumentation and the flight demonstration locked-in the design without challenging the function of design elements. Projects reviewed include: the Aerobee Sounding Rocket Cryogenic Fluid Management (CFM) tests which served as a valuable stepping stone to flight demonstration and built confidence in the ability to handle hydrogen in low gravity; the Saturn IVB Fluid Management Qualification flight test; the Atlas Centaur demonstration flights to develop two burn capability; and finally the Titan Centaur two post mission flight tests.
Dalal, Anand A; Nelson, Lauren; Gilligan, Theresa; McLeod, Lori; Lewis, Sandy; DeMuro-Mercon, Carla
2011-01-01
The goal of this study was to provide recommended steps to assess measurement comparability using a crossover study design and to demonstrate these steps using a short patient-reported outcome (PRO) instrument as an example. The example PRO instrument was administered via paper, Web, interactive voice response system, and interview; a randomized crossover design was used to gather data across the multiple administration types. Participants completed the PRO instrument, demographic and health questions, and a short preference questionnaire. Evaluation included comparisons of the item-level responses and agreement, comparison of mean scale scores, score classifications, and questions designed to collect usability and administration preference. Here the authors provide a four-step evaluation guide to evaluate measurement comparability and illustrate these steps using a case-finding tool. In the example, item-level kappa statistics between the paper and the alternate versions ranged from good to excellent, intraclass correlation coefficient for mean scores were above 0.70, and the rate of disagreement ranged from 2% to 14%. In addition, although participants had an administration preference, they reported few difficulties with the versions they were assigned. The steps described in this article provide a guide for evaluating whether to combine scores across administration versions to simplify analyses and interpretation under a crossover design. The guide recommends the investigation of item-level responses, summary scores, and participant usability/preference when comparing versions, with each step providing unique information to support comprehensive evaluation and informed decisions regarding whether to combine data. Copyright © 2011 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.
A cyber-event correlation framework and metrics
NASA Astrophysics Data System (ADS)
Kang, Myong H.; Mayfield, Terry
2003-08-01
In this paper, we propose a cyber-event fusion, correlation, and situation assessment framework that, when instantiated, will allow cyber defenders to better understand the local, regional, and global cyber-situation. This framework, with associated metrics, can be used to guide assessment of our existing cyber-defense capabilities, and to help evaluate the state of cyber-event correlation research and where we must focus our future cyber-event correlation research. The framework, based on the cyber-event gathering activities and analysis functions, consists of five operational steps, each of which provides a richer set of contextual information to support greater situational understanding. The first three steps are categorically depicted as increasingly richer and broader-scoped contexts achieved through correlation activity, while in the final two steps, these richer contexts are achieved through analytical activities (situation assessment, and threat analysis & prediction). Category 1 Correlation focuses on the detection of suspicious activities and the correlation of events from a single cyber-event source. Category 2 Correlation clusters the same or similar events from multiple detectors that are located at close proximity and prioritizes them. Finally, the events from different time periods and event sources at different location/regions are correlated at Category 3 to recognize the relationship among different events. This is the category that focuses on the detection of large-scale and coordinated attacks. The situation assessment step (Category 4) focuses on the assessment of cyber asset damage and the analysis of the impact on missions. The threat analysis and prediction step (Category 5) analyzes attacks based on attack traces and predicts the next steps. Metrics that can distinguish correlation and cyber-situation assessment tools for each category are also proposed.
Kocica, Mladen J; Corno, Antonio F; Carreras-Costa, Francesc; Ballester-Rodes, Manel; Moghbel, Mark C; Cueva, Clotario N C; Lackovic, Vesna; Kanjuh, Vladimir I; Torrent-Guasp, Francisco
2006-04-01
We are currently witnessing the advent of new diagnostic tools and therapies for heart diseases, but, without serious scientific consensus on fundamental questions about normal and diseased heart structure and function. During the last decade, three successive, international, multidisciplinary symposia were organized in order to setup fundamental research principles, which would allow us to make a significant step forward in understanding heart structure and function. Helical ventricular myocardial band of Torrent-Guasp is the revolutionary new concept in understanding global, three-dimensional, functional architecture of the ventricular myocardium. This concept defines the principal, cumulative vectors, integrating the tissue architecture (i.e. form) and net forces developed (i.e. function) within the ventricular mass. Here we expose the compendium of Torrent-Guasp's half-century long functional anatomical investigations in the light of ongoing efforts to define the integrative approach, which would lead to new understanding of the ventricular form and function by linking across multiple scales of biological organization, as defined in ongoing Physiome project. Helical ventricular myocardial band of Torrent-Guasp may also, hopefully, allow overcoming some difficulties encountered in contemporary efforts to create a comprehensive mathematical model of the heart.
Moreira, Bruno de Souza; Dos Anjos, Daniela Maria da Cruz; Pereira, Daniele Sirineu; Sampaio, Rosana Ferreira; Pereira, Leani Souza Máximo; Dias, Rosângela Corrêa; Kirkwood, Renata Noce
2016-03-03
Fear of falling is a common and potentially disabling problem among older adults. However, little is known about this condition in older adults with diabetes mellitus. The aims of this study were to investigate the impact of the fear of falling on clinical, functional and gait variables in older women with type 2 diabetes and to identify which variables could predict the fear of falling in this population. Ninety-nine community-dwelling older women with type 2 diabetes (aged 65 to 89 years) were stratified in two groups based on their Falls Efficacy Scale-International score. Participants with a score < 23 were assigned to the group without the fear of falling (n = 50) and those with a score ≥ 23 were assigned to the group with the fear of falling (n = 49). Clinical data included demographics, anthropometrics, number of diseases and medications, physical activity level, fall history, frailty level, cognition, depressive symptoms, fasting glucose level and disease duration. Functional measures included the Timed Up and Go test (TUG), the five times sit-to-stand test (5-STS) and handgrip strength. Gait parameters were obtained using the GAITRite® system. Participants with a fear of falling were frailer and presented more depressive symptoms and worse performance on the TUG and 5-STS tests compared with those without a fear of falling. The group with the fear of falling also walked with a lower velocity, cadence and step length and increased step time and swing time variability. The multivariate regression analysis showed that the likelihood of having a fear of falling increased 1.34 times (OR 1.34, 95 % CI 1.11-1.61) for a one-point increase in the Geriatric Depression Scale (GDS-15) score and 1.36 times (OR 1.36, 95 % CI 1.07-1.73) for each second of increase in the TUG performance. The fear of falling in community-dwelling older women with type 2 diabetes mellitus is associated with frailty, depressive symptoms and dynamic balance, functional mobility and gait deficits. Furthermore, both the GDS-15 and the TUG test predict a fear of falling in this population. Therefore, these instruments should be considered during the assessment of diabetic older women with fear of falling.
NASA Astrophysics Data System (ADS)
Riedel, Bettina; Stachowitsch, Michael; Zuschin, Martin
2010-05-01
No other environmental parameter in shallow coastal ecosystems worldwide has changed as dramatically as dissolved oxygen (DO). Nearly 400 hypoxic (<2 ml l-1) and anoxic areas have been identified and the number is expected to increase. Such "dead zones" cause cascading effects from the molecular to the ecosystem level. Ultimately, biodiversity loss and disrupted ecosystem function (e.g. filter- and suspension-feeding capacity, bioturbation) can change structurally complex and diverse benthic and pelagic communities into far simpler, depauperated ones (homogenization). The Northern Adriatic Sea is a recognized case study for repeated seasonal low DO events. The onset and extent of catastrophic events, however, is difficult to predict, hindering full documentation in the field. Present knowledge about the behavioural responses and mortalities of benthic organisms is not commensurate with the crucial role this fauna plays in coastal ecosystems. Our research strives to learn about system function by studying system dysfunction Using a specially developed underwater-chamber (EAGU) - equipped with camera, flashes and a sensor array - we experimentally recreate small-scale anoxias in a community setting. In a first project we focused on the well-developed macroepifauna in the Gulf of Trieste, Northern Adriatic. The in situ experiments successfully mimicked full-scale low DO events and revealed a clear sequence of species-specific behaviours and mortalities correlated to specific oxygen thresholds. The present project will incorporate key representatives of the macroinfauna and meiofauna and will include sediment geochemistry. We will also take the EAGU concept one step further by evaluating post-anoxia developments such as decomposition, scavenging/predation and the recovery of the benthos as a whole. This yield of new details (e.g. never observed behaviours and interactions, i.e. predator-prey interactions), at a finer and more nuanced scale of resolution than ever before, is an important step forward in compiling a broadly applicable catalogue of sensitive and more tolerant species. This will also help evaluate community status, i.e. retrospectively pinpoint past anoxias and predict future community compositions. This also calls for examining both the short- and longer-term recolonization process. Finally, our experiments will help to help to better understand and interpret anoxia and dysoxia on epicontinental seas in the fossil record.
Karasawa, Takatoshi; Lombroso, Paul J.
2014-01-01
Striatal-enriched protein tyrosine phosphatase (STEP) is a brain-specific tyrosine phosphatase that plays a major role in the development of synaptic plasticity. Recent findings have implicated STEP in several psychiatric and neurological disorders, including Alzheimer’s disease, schizophrenia, fragile X syndrome, Huntington’s disease, stroke/ischemia, and stress-related psychiatric disorders. In these disorders, STEP protein expression levels and activity are dysregulated, contributing to the cognitive deficits that are present. In this review, we focus on the most recent findings on STEP, discuss how STEP expression and activity are maintained during normal cognitive function, and how disruptions in STEP activity contribute to a number of illnesses. PMID:25218562
Monte Carlo Study of Four-Dimensional Self-avoiding Walks of up to One Billion Steps
NASA Astrophysics Data System (ADS)
Clisby, Nathan
2018-04-01
We study self-avoiding walks on the four-dimensional hypercubic lattice via Monte Carlo simulations of walks with up to one billion steps. We study the expected logarithmic corrections to scaling, and find convincing evidence in support the scaling form predicted by the renormalization group, with an estimate for the power of the logarithmic factor of 0.2516(14), which is consistent with the predicted value of 1/4. We also characterize the behaviour of the pivot algorithm for sampling four dimensional self-avoiding walks, and conjecture that the probability of a pivot move being successful for an N-step walk is O([ log N ]^{-1/4}).
Scherson, Yaniv D; Woo, Sung-Geun; Criddle, Craig S
2014-05-20
Coupled Aerobic-anoxic Nitrous Decomposition Operation (CANDO) is a new process for wastewater treatment that removes nitrogen from wastewater and recovers energy from the nitrogen in three steps: (1) NH4(+) oxidation to NO2(-); (2) NO2(-) reduction to N2O gas; and (3) N2O conversion to N2 with energy production. In this work, we optimize Steps 1 and 2 for anaerobic digester centrate, and we evaluate Step 3 for a full-scale biogas-fed internal combustion engine. Using a continuous stirred reactor coupled to a bench-scale sequencing batch reactor, we observed sustained partial oxidation of NH4(+) to NO2(-) and sustained (3 months) partial reduction of NO2(-) to N2O (75-80% conversion, mass basis), with >95% nitrogen removal (Step 2). Alternating pulses of acetate and NO2(-) selected for Comamonas (38%), Ciceribacter (16%), and Clostridium (11%). Some species stored polyhydroxybutyrate (PHB) and coupled oxidation of PHB to reduction of NO2(-) to N2O. Some species also stored phosphorus as polyphosphate granules. Injections of N2O into a biogas-fed engine at flow rates simulating a full-scale system increased power output by 5.7-7.3%. The results underscore the need for more detailed assessment of bioreactor community ecology and justify pilot- and full-scale testing.
Brown, A M
2001-06-01
The objective of this present study was to introduce a simple, easily understood method for carrying out non-linear regression analysis based on user input functions. While it is relatively straightforward to fit data with simple functions such as linear or logarithmic functions, fitting data with more complicated non-linear functions is more difficult. Commercial specialist programmes are available that will carry out this analysis, but these programmes are expensive and are not intuitive to learn. An alternative method described here is to use the SOLVER function of the ubiquitous spreadsheet programme Microsoft Excel, which employs an iterative least squares fitting routine to produce the optimal goodness of fit between data and function. The intent of this paper is to lead the reader through an easily understood step-by-step guide to implementing this method, which can be applied to any function in the form y=f(x), and is well suited to fast, reliable analysis of data in all fields of biology.
Outward Bound to the Galaxies--One Step at a Time
ERIC Educational Resources Information Center
Ward, R. Bruce; Miller-Friedmann, Jaimie; Sienkiewicz, Frank; Antonucci, Paul
2012-01-01
Less than a century ago, astronomers began to unlock the cosmic distances within and beyond the Milky Way. Understanding the size and scale of the universe is a continuing, step-by-step process that began with the remarkably accurate measurement of the distance to the Moon made by early Greeks. In part, the authors have ITEAMS (Innovative…
Rajgopal, Ashok; Aggarwal, Kalpana; Khurana, Anshika; Rao, Arun; Vasdev, Attique; Pandit, Hemant
2017-01-01
Total knee arthroplasty is a well-established treatment for managing end-stage symptomatic knee osteoarthritis. Currently, different designs of prostheses are available with majority ensuring similar clinical outcomes. Altered surface geometry is introduced to strive toward gaining superior outcomes. We aimed to investigate any differences in functional outcomes between 2 different polyethylene designs namely the Persona CR (cruciate retaining) and Persona UC (ultracongruent) tibial inserts (Zimmer-Biomet, Warsaw, IN). This prospective single blind, single-surgeon randomized controlled trial reports on 105 patients, (66 female and 39 male), who underwent simultaneous bilateral total knee arthroplasty using the Persona knee system (Zimmer-Biomet) UC inserts in one side and CR inserts in the contralateral side. By a blind assessor, at regular time intervals patients were assessed in terms of function and gait. The functional knee scoring scales used were the Western Ontario and McMaster Universities Osteoarthritis Index and Modified Knee Society Score. The gait parameters evaluated were foot pressure and step length. During the study period, no patient was lost to follow-up or underwent revision surgery for any cause. Western Ontario and McMaster Universities Osteoarthritis Index scores, Modified Knee Society Score, and knee range of motion of all 105 patients assessed preoperatively and postoperatively at 6 months, 1 year, and 2 years showed statistically better results (P < .05) for UC inserts. Gait analysis measuring foot pressures and step length, however, did not show any statistically significant differences at 2-year follow-up. Ultracongruent tibial inserts show significantly better functional outcomes as compared to CR inserts during a 2-year follow-up period. However, in this study these findings were not shown to be attributed to differences in gait parameters. Copyright © 2016 Elsevier Inc. All rights reserved.
Franki, Inge; Van den Broeck, Christine; De Cat, Josse; Tijhuis, Wieke; Molenaers, Guy; Vanderstraeten, Guy; Desloovere, Kaat
2014-10-01
A pilot study to compare the effectiveness of an individual therapy program with the effects of a general physical therapy program. A randomized, single-blind cross-over design. Ten ambulant children with bilateral spastic cerebral palsy, age four to nine years. Participants were randomly assigned into a ten-week individually defined, targeted or a general program, followed by a cross-over. Evaluation was performed using the Gross Motor Function Measure-88 and three-dimensional gait analysis. General outcome parameters were Gross Motor Function Measure-88 scores, time and distance parameters, gait profile score and movement analysis profiles. Individual goal achievement was evaluated using z-scores for gait parameters and Goal Attainment Scale for gross motor function. No significant changes were observed regarding gross motor function. Only after individualized therapy, step- and stride-length increased significantly (p = 0.022; p = 0.017). Change in step-length was higher after the individualized program (p = 0.045). Within-group effects were found for the pelvis in transversal plane after the individualized program (p = 0.047) and in coronal plane after the general program (p = 0.047). Between-program differences were found for changes in the knee in sagittal plane, in the advantage of the individual program (p = 0.047). A median difference in z-score of 0.279 and 0.419 was measured after the general and individualized program, respectively. Functional goal attainment was higher after the individual therapy program compared with the general program (48 to 43.5). The results indicate slightly favorable effects towards the individualized program. To detect clinically significant changes, future studies require a minimal sample size of 72 to 90 participants. © The Author(s) 2014.
Knight, Sophie; Aggarwal, Rajesh; Agostini, Aubert; Loundou, Anderson; Berdah, Stéphane
2018-01-01
Introduction Total Laparoscopic hysterectomy (LH) requires an advanced level of operative skills and training. The aim of this study was to develop an objective scale specific for the assessment of technical skills for LH (H-OSATS) and to demonstrate feasibility of use and validity in a virtual reality setting. Material and methods The scale was developed using a hierarchical task analysis and a panel of international experts. A Delphi method obtained consensus among experts on relevant steps that should be included into the H-OSATS scale for assessment of operative performances. Feasibility of use and validity of the scale were evaluated by reviewing video recordings of LH performed on a virtual reality laparoscopic simulator. Three groups of operators of different levels of experience were assessed in a Marseille teaching hospital (10 novices, 8 intermediates and 8 experienced surgeons). Correlations with scores obtained using a recognised generic global rating tool (OSATS) were calculated. Results A total of 76 discrete steps were identified by the hierarchical task analysis. 14 experts completed the two rounds of the Delphi questionnaire. 64 steps reached consensus and were integrated in the scale. During the validation process, median time to rate each video recording was 25 minutes. There was a significant difference between the novice, intermediate and experienced group for total H-OSATS scores (133, 155.9 and 178.25 respectively; p = 0.002). H-OSATS scale demonstrated high inter-rater reliability (intraclass correlation coefficient [ICC] = 0.930; p<0.001) and test retest reliability (ICC = 0.877; p<0.001). High correlations were found between total H-OSATS scores and OSATS scores (rho = 0.928; p<0.001). Conclusion The H-OSATS scale displayed evidence of validity for assessment of technical performances for LH performed on a virtual reality simulator. The implementation of this scale is expected to facilitate deliberate practice. Next steps should focus on evaluating the validity of the scale in the operating room. PMID:29293635
NASA Astrophysics Data System (ADS)
Zehe, E.; Ehret, U.; Pfister, L.; Blume, T.; Schröder, B.; Westhoff, M.; Jackisch, C.; Schymanski, S. J.; Weiler, M.; Schulz, K.; Allroggen, N.; Tronicke, J.; Dietrich, P.; Scherer, U.; Eccard, J.; Wulfmeyer, V.; Kleidon, A.
2014-03-01
This opinion paper proposes a novel framework for exploring how spatial organization alongside with spatial heterogeneity controls functioning of intermediate scale catchments of organized complexity. Key idea is that spatial organization in landscapes implies that functioning of intermediate scale catchments is controlled by a hierarchy of functional units: hillslope scale lead topologies and embedded elementary functional units (EFUs). We argue that similar soils and vegetation communities and thus also soil structures "co-developed" within EFUs in an adaptive, self-organizing manner as they have been exposed to similar flows of energy, water and nutrients from the past to the present. Class members of the same EFU (class) are thus deemed to belong to the same ensemble with respect to controls of the energy balance and related vertical flows of capillary bounded soil water and heat. Class members of superordinate lead topologies are characterized by the same spatially organized arrangement of EFUs along the gradient driving lateral flows of free water as well as a similar surface and bedrock topography. We hence postulate that they belong to the same ensemble with respect to controls on rainfall runoff transformation and related vertical and lateral fluxes of free water. We expect class members of these functional units to have a distinct way how their architecture controls the interplay of state dynamics and integral flows, which is typical for all members of one class but dissimilar among the classes. This implies that we might infer on the typical dynamic behavior of the most important classes of EFU and lead topologies in a catchment, by thoroughly characterizing a few members of each class. A major asset of the proposed framework, which steps beyond the concept of hydrological response units, is that it can be tested experimentally. In this respect, we reflect on suitable strategies based on stratified observations drawing from process hydrology, soil physics, geophysics, ecology and remote sensing which are currently conducted in replicates of candidate functional units in the Attert basin (Luxembourg), to search for typical and similar functional and structural characteristics. A second asset of this framework is that it blueprints a way towards a structurally more adequate model concept for water and energy cycles in intermediate scale catchments, which balances necessary complexity with falsifiability. This is because EFU and lead topologies are deemed to mark a hierarchy of "scale breaks" where simplicity with respect to the energy balance and stream flow generation emerges from spatially organized process-structure interactions. This offers the opportunity for simplified descriptions of these processes that are nevertheless physically and thermodynamically consistent. In this respect we reflect on a candidate model structure that (a) may accommodate distributed observations of states and especially terrestrial controls on driving gradients to constrain the space of feasible model structures and (b) allows testing the possible added value of organizing principles to understand the role of spatial organization from an optimality perspective.
Aubert, Yves; Bourgerie, Sylvain; Meunier, Laurent; Mayer, Roger; Roche, Annie-Claude; Monsigny, Michel; Thuong, Nguyen T.; Asseline, Ulysse
2000-01-01
A new deprotection procedure enables a medium scale preparation of phosphodiester and phosphorothioate oligonucleotides substituted with a protected thiol function at their 5′-ends and an amino group at their 3′-ends in good yield (up to 72 OD units/µmol for a 19mer phosphorothioate). Syntheses of 3′-amino-substituted oligonucleotides were carried out on a modified support. A linker containing the thioacetyl moiety was manually coupled in two steps by first adding its phosphoramidite derivative in the presence of tetrazole followed by either oxidation or sulfurization to afford the bis-derivatized oligonucleotide bound to the support. Deprotection was achieved by treating the fully protected oligonucleotide with a mixture of 2,2′-dithiodipyridine and concentrated aqueous ammonia in the presence of phenol and methanol. This procedure enables (i) cleavage of the oligonucleotide from the support, releasing the oligonucleotide with a free amino group at its 3′-end, (ii) deprotection of the phosphate groups and the amino functions of the nucleic bases, as well as (iii) transformation of the 5′-terminal S-acetyl function into a dithiopyridyl group. The bis-derivatized phosphorothioate oligomer was further substituted through a two-step procedure: first, the 3′-amino group was reacted with fluorescein isothiocyanate to yield a fluoresceinylated oligonucleotide; the 5′-dithiopyridyl group was then quantitatively reduced to give a free thiol group which was then substituted by reaction with an Nα-bromoacetyl derivative of a signal peptide containing a KDEL sequence to afford a fluoresceinylated peptide–oligonucleotide conjugate. PMID:10637335
Smejkal, Benjamin; Agrawal, Neeraj J; Helk, Bernhard; Schulz, Henk; Giffard, Marion; Mechelke, Matthias; Ortner, Franziska; Heckmeier, Philipp; Trout, Bernhardt L; Hekmat, Dariusch
2013-09-01
The potential of process crystallization for purification of a therapeutic monoclonal IgG1 antibody was studied. The purified antibody was crystallized in non-agitated micro-batch experiments for the first time. A direct crystallization from clarified CHO cell culture harvest was inhibited by high salt concentrations. The salt concentration of the harvest was reduced by a simple pretreatment step. The crystallization process from pretreated harvest was successfully transferred to stirred tanks and scaled-up from the mL-scale to the 1 L-scale for the first time. The crystallization yield after 24 h was 88-90%. A high purity of 98.5% was reached after a single recrystallization step. A 17-fold host cell protein reduction was achieved and DNA content was reduced below the detection limit. High biological activity of the therapeutic antibody was maintained during the crystallization, dissolving, and recrystallization steps. Crystallization was also performed with impure solutions from intermediate steps of a standard monoclonal antibody purification process. It was shown that process crystallization has a strong potential to replace Protein A chromatography. Fast dissolution of the crystals was possible. Furthermore, it was shown that crystallization can be used as a concentrating step and can replace several ultra-/diafiltration steps. Molecular modeling suggested that a negative electrostatic region with interspersed exposed hydrophobic residues on the Fv domain of this antibody is responsible for the high crystallization propensity. As a result, process crystallization, following the identification of highly crystallizable antibodies using molecular modeling tools, can be recognized as an efficient, scalable, fast, and inexpensive alternative to key steps of a standard purification process for therapeutic antibodies. Copyright © 2013 Wiley Periodicals, Inc.
NASA Astrophysics Data System (ADS)
Zwick, Harry; Stuck, Bruce E.; Akers, A.; Edsall, Peter; DiCarlo, Cheryl D.; Lund, David J.
2005-04-01
Laser induced retinal damage may involve primary injury to the central retina and secondary damage, including intraretinal scar formation (IRSF) retinal traction (RT) and retinal nerve fiber layer injury (RNFL). We have evaluated these laser induced retinal pathologies with MFERG in non-human primates (NHPs) with a Veris (4.9) MFERG system 103 Hexagons, centered on the macula with non-scaled arrays and in one NHP with a 2-frame/M-step sequence to assess long term exposure effects within the RNFL. Chemical restraint was achieved using Ketamine stability HCL (10 mg/kg IM) and Propofol (0.5 mg-1.2/Kg/min via syringe pump). Peribulbar eye blocks were performed using 2% lidocain or a mixture of 2% Lidocain/Marcain (monitored ocular motility was less than 40 microns in retinal space). Primary and secondary damage effects were induced with either q-switched single pulse Neodymium (1064 nm, 1.0 mJ) or Argon CW (10 to 1000 msec, 10-150 mW). MFERG demonstrated capability to detect primary and secondary induced retinal damage in both 1st and 2nd order kernels. Primary and secondary damage in the central retina was often suppressed in amplitude and with longer latencies relative to the MFERG norm. Preliminary investigations in one NHP with Primary and secondary RNFL damage at 9 to 14 months showed recovery with non-scaled array one frame / M-step sequence but demonstrated significant abnormalities for a two frame/ M-step sequence. Utilization of advanced Veris recording parameters involving spatial and temporal manipulation of the stimulus parameters can improve detection of functional deficits induced by focal laser retinal injury.
Limit theorems for Lévy walks in d dimensions: rare and bulk fluctuations
NASA Astrophysics Data System (ADS)
Fouxon, Itzhak; Denisov, Sergey; Zaburdaev, Vasily; Barkai, Eli
2017-04-01
We consider super-diffusive Lévy walks in d≥slant 2 dimensions when the duration of a single step, i.e. a ballistic motion performed by a walker, is governed by a power-law tailed distribution of infinite variance and finite mean. We demonstrate that the probability density function (PDF) of the coordinate of the random walker has two different scaling limits at large times. One limit describes the bulk of the PDF. It is the d-dimensional generalization of the one-dimensional Lévy distribution and is the counterpart of the central limit theorem (CLT) for random walks with finite dispersion. In contrast with the one-dimensional Lévy distribution and the CLT this distribution does not have a universal shape. The PDF reflects anisotropy of the single-step statistics however large the time is. The other scaling limit, the so-called ‘infinite density’, describes the tail of the PDF which determines second (dispersion) and higher moments of the PDF. This limit repeats the angular structure of the PDF of velocity in one step. A typical realization of the walk consists of anomalous diffusive motion (described by anisotropic d-dimensional Lévy distribution) interspersed with long ballistic flights (described by infinite density). The long flights are rare but due to them the coordinate increases so much that their contribution determines the dispersion. We illustrate the concept by considering two types of Lévy walks, with isotropic and anisotropic distributions of velocities. Furthermore, we show that for isotropic but otherwise arbitrary velocity distributions the d-dimensional process can be reduced to a one-dimensional Lévy walk. We briefly discuss the consequences of non-universality for the d > 1 dimensional fractional diffusion equation, in particular the non-uniqueness of the fractional Laplacian.
McCammon, J. Andrew
2011-01-01
Chagas' disease, caused by the protozoan parasite Trypanosoma cruzi (T. cruzi), is a life-threatening illness affecting 11–18 million people. Currently available treatments are limited, with unacceptable efficacy and safety profiles. Recent studies have revealed an essential T. cruzi proline racemase enzyme (TcPR) as an attractive candidate for improved chemotherapeutic intervention. Conformational changes associated with substrate binding to TcPR are believed to expose critical residues that elicit a host mitogenic B-cell response, a process contributing to parasite persistence and immune system evasion. Characterization of the conformational states of TcPR requires access to long-time-scale motions that are currently inaccessible by standard molecular dynamics simulations. Here we describe advanced accelerated molecular dynamics that extend the effective simulation time and capture large-scale motions of functional relevance. Conservation and fragment mapping analyses identified potential conformational epitopes located in the vicinity of newly identified transient binding pockets. The newly identified open TcPR conformations revealed by this study along with knowledge of the closed to open interconversion mechanism advances our understanding of TcPR function. The results and the strategy adopted in this work constitute an important step toward the rationalization of the molecular basis behind the mitogenic B-cell response of TcPR and provide new insights for future structure-based drug discovery. PMID:22022240
de Oliveira, César Augusto F; Grant, Barry J; Zhou, Michelle; McCammon, J Andrew
2011-10-01
Chagas' disease, caused by the protozoan parasite Trypanosoma cruzi (T. cruzi), is a life-threatening illness affecting 11-18 million people. Currently available treatments are limited, with unacceptable efficacy and safety profiles. Recent studies have revealed an essential T. cruzi proline racemase enzyme (TcPR) as an attractive candidate for improved chemotherapeutic intervention. Conformational changes associated with substrate binding to TcPR are believed to expose critical residues that elicit a host mitogenic B-cell response, a process contributing to parasite persistence and immune system evasion. Characterization of the conformational states of TcPR requires access to long-time-scale motions that are currently inaccessible by standard molecular dynamics simulations. Here we describe advanced accelerated molecular dynamics that extend the effective simulation time and capture large-scale motions of functional relevance. Conservation and fragment mapping analyses identified potential conformational epitopes located in the vicinity of newly identified transient binding pockets. The newly identified open TcPR conformations revealed by this study along with knowledge of the closed to open interconversion mechanism advances our understanding of TcPR function. The results and the strategy adopted in this work constitute an important step toward the rationalization of the molecular basis behind the mitogenic B-cell response of TcPR and provide new insights for future structure-based drug discovery.
Metabolic Cost of Lateral Stabilization during Walking in People with Incomplete Spinal Cord Injury
Matsubara, J.H.; Wu, M.; Gordon, K.E.
2015-01-01
People with incomplete spinal cord injury (iSCI) expend considerable energy to walk, which can lead to rapid fatigue and limit community ambulation. Selecting locomotor patterns that enhance lateral stability may contribute to this population’s elevated cost of transport. The goal of the current study was to quantify the metabolic energy demands of maintaining lateral stability during gait in people with iSCI. To quantify this metabolic cost, we observed ten individuals with iSCI walking with and without external lateral stabilization. We hypothesized that with external lateral stabilization, people with iSCI would adapt their gait by decreasing step width, which would correspond with a substantial decrease in cost of transport. Our findings support this hypothesis. Subjects significantly (p < 0.05) decreased step width by 22%, step width variability by 18%, and minimum lateral margin of stability by 25% when they walked with external lateral stabilization compared to unassisted walking. Metabolic cost of transport also decreased significantly (p < 0.05) by 10% with external lateral stabilization. These findings suggest that this population is capable of adapting their gait to meet changing demands placed on balance. The percent reduction in cost of transport when walking with external lateral stabilization was strongly correlated with functional impairment level as assessed by subjects’ scores on the Berg Balance Scale (R = 0.778) and Lower Extremity Motor Score (R = 0.728). These relationships suggest that as functional balance and strength decrease, the amount of metabolic energy used to maintain lateral stability during gait will increase. PMID:25670651
Hydraulic droplet coarsening in open-channel capillaries
NASA Astrophysics Data System (ADS)
Warren, Patrick B.
2016-11-01
Over a range of liquid-solid contact angles, an open-channel capillary with curved or angled sides can show a maximum in the Laplace pressure as a function of the filling state. Examples include double-angle wedges, grooves scored into flat surfaces, steps on surfaces, and the groove between touching parallel cylinders. The liquid in such a channel exhibits a beading instability if the channel is filled beyond the Laplace pressure maximum. The subsequent droplet coarsening takes place by hydraulic transport through the connecting liquid columns that remain in the groove. A mean-field scaling argument predicts the characteristic droplet radius R ˜t1 /7 , as a function of time t . This is confirmed by one-dimensional simulations of the coarsening kinetics. Some remarks are also made on the spreading kinetics of an isolated drop deposited in such a channel.
Electro-thermal battery model identification for automotive applications
NASA Astrophysics Data System (ADS)
Hu, Y.; Yurkovich, S.; Guezennec, Y.; Yurkovich, B. J.
This paper describes a model identification procedure for identifying an electro-thermal model of lithium ion batteries used in automotive applications. The dynamic model structure adopted is based on an equivalent circuit model whose parameters are scheduled on the state-of-charge, temperature, and current direction. Linear spline functions are used as the functional form for the parametric dependence. The model identified in this way is valid inside a large range of temperatures and state-of-charge, so that the resulting model can be used for automotive applications such as on-board estimation of the state-of-charge and state-of-health. The model coefficients are identified using a multiple step genetic algorithm based optimization procedure designed for large scale optimization problems. The validity of the procedure is demonstrated experimentally for an A123 lithium ion iron-phosphate battery.
Recovery of permittivity and depth from near-field data as a step toward infrared nanotomography.
Govyadinov, Alexander A; Mastel, Stefan; Golmar, Federico; Chuvilin, Andrey; Carney, P Scott; Hillenbrand, Rainer
2014-07-22
The increasing complexity of composite materials structured on the nanometer scale requires highly sensitive analytical tools for nanoscale chemical identification, ideally in three dimensions. While infrared near-field microscopy provides high chemical sensitivity and nanoscopic spatial resolution in two dimensions, the quantitative extraction of material properties of three-dimensionally structured samples has not been achieved yet. Here we introduce a method to perform rapid recovery of the thickness and permittivity of simple 3D structures (such as thin films and nanostructures) from near-field measurements, and provide its first experimental demonstration. This is accomplished via a novel nonlinear invertible model of the imaging process, taking advantage of the near-field data recorded at multiple harmonics of the oscillation frequency of the near-field probe. Our work enables quantitative nanoscale-resolved optical studies of thin films, coatings, and functionalization layers, as well as the structural analysis of multiphase materials, among others. It represents a major step toward the further goal of near-field nanotomography.
Tabatabaei, Mohammad
2017-07-01
In this paper, a new method for determination of the desired characteristic equation and zero location of commensurate fractional order systems is presented. The concept of the characteristic ratio is extended for zero-including commensurate fractional order systems. The generalized version of characteristic ratios is defined such that the time-scaling property of characteristic ratios is also preserved. The monotonicity of the magnitude frequency response is employed to assign the generalized characteristic ratios for commensurate fractional order transfer functions with one zero. A simple pattern for characteristic ratios is proposed to reach a non-overshooting step response. Then, the proposed pattern is revisited to reach a low overshoot (say for example 2%) step response. Finally, zero-including controllers such as fractional order PI or lag (lead) controllers are designed using generalized characteristic ratios assignment method. Numerical simulations are provided to show the efficiency of the so designed controllers. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.
One-step synthesis of multi-emission carbon nanodots for ratiometric temperature sensing
NASA Astrophysics Data System (ADS)
Nguyen, Vanthan; Yan, Lihe; Xu, Huanhuan; Yue, Mengmeng
2018-01-01
Measuring temperature with greater precision at localized small length scales or in a nonperturbative manner is a necessity in widespread applications, such as integrated photonic devices, micro/nano electronics, biology, and medical diagnostics. To this context, use of nanoscale fluorescent temperature probes is regarded as the most promising method for temperature sensing because they are noninvasive, accurate, and enable remote micro/nanoscale imaging. Here, we propose a novel ratiometric fluorescent sensor for nanothermometry using carbon nanodots (C-dots). The C-dots were synthesized by one-step method using femtosecond laser ablation and exhibit unique multi-emission property due to emissions from abundant functional groups on its surface. The as-prepared C-dots demonstrate excellent ratiometric temperature sensing under single wavelength excitation that achieves high temperature sensitivity with a 1.48% change per °C ratiometric response over wide-ranging temperature (5-85 °C) in aqueous buffer. The ratiometric sensor shows excellent reversibility and stability, holding great promise for the accurate measurement of temperature in many practical applications.
Seeing Beyond the Naked Eye in a Planetarium
NASA Astrophysics Data System (ADS)
Fairall, A.
2005-12-01
I have a philosophy that the traditional naked-eye sky, as usually shown in planetariums, should only be an introductory step in portraying the Universe. Consequently, over the years I have produced 'inter alia' various versions of an enhanced Milky Way (the latest based on Axel Mellenger's panorama), the extragalactic sky and the radio sky for projection on planetarium domes. I also put together a three-dimensional planetarium show-the audience being equipped with ChromDepth(tm) spectacles- which stepped from the Solar System to the cosmic microwave background. The advent of digital technology now makes all this much easier. Currently, Labyrinth, a visualization program developed in-house, serves much the same function as the Hayden Planetarium's Partiview, but also permits rendering and fl y-throughs of large-scale structures. It allows viewers to explore local cosmography. Labyrinth can produce images that operate with the 3-D spectacles; we have also produced a version of Partiview that does the same.
Can we improve gait skills in chronic hemiplegics? A randomised control trial with gait trainer.
Dias, D; Laíns, J; Pereira, A; Nunes, R; Caldas, J; Amaral, C; Pires, S; Costa, A; Alves, P; Moreira, M; Garrido, N; Loureiro, L
2007-12-01
Partial body weight support (PBWS) is an accepted treatment for hemiplegic patients. The aim of this study is to compare the efficiency of gait trainer with conventional treatment on the gait management after stroke. Forty chronic post-stroke hemiplegics were part of a prospective research. Inclusion criteria were: first ever stroke in a chronic stage with stabilised motor deficits; age >18 and <80 years; cognitive and communication skills to understand the treatment; absence of cardiac, psychological and orthopedic contraindications. Patients were randomised into two groups: the control group (CG) that used the Bobath method in 40 minutes sessions, 5 times a week, for 5 weeks, and the experimental group (EG) that used the gait trainer, for the same period of time and frequency. Assessment tools: Motricity Index (MI); Toulouse Motor Scale (TMS); modified Ashworth Spasticity Scale (mASS); Berg Balance Scale (BBS); Rivermead Mobility Index (RMI); Fugl-Meyer Stroke Scale (F-MSS); Functional Ambulation Category (FAC); Barthel Index (BI); 10 meters, time up and go (TUG), 6 minutes, and step tests. EG and CG did the assessments before treatment (T(0)), right after treatment (T(1)), and on follow-up, 3 months later (T(2)). CG and EG were homogenous in all the variables at T(0). CG and EG showed improvement in almost all the assessment scales after treatment, although only some with relevant differences. EG showed statistically relevant improvement on T(1) and on T(2) in several of the assessment tools, whereas CG only showed statistically significant improvement after T(1) and only in some of the assessment tools. Both groups of chronic hemiplegic patients improved after either PBWS with gait trainer or Bobath treatment. Only subjects undergoing PBWS with gait trainer maintained functional gain after 3 months.
Cabanas-Valdés, Rosa; Bagur-Calafat, Caritat; Girabent-Farrés, Montserrat; Caballero-Gómez, Fernanda Mª; du Port de Pontcharra-Serra, Helena; German-Romero, Ana; Urrútia, Gerard
2017-11-01
Analyse the effect of core stability exercises in addition to conventional physiotherapy training three months after the intervention ended. A randomized controlled trial. Outpatient services. Seventy-nine stroke survivors. In the intervention period, both groups underwent conventional physiotherapy performed five days/week for five weeks, and in addition the experimental group performed core stability exercises for 15 minutes/day. Afterwards, during a three-month follow-up period, both groups underwent usual care that could eventually include conventional physiotherapy or physical exercise but not in a controlled condition. Primary outcome was trunk control and dynamic sitting balance assessed by the Spanish-Version of Trunk Impairment Scale 2.0 and Function in Sitting Test. Secondary outcomes were standing balance and gait evaluated by the Berg Balance Scale, Tinetti Test, Brunel Balance Assessment, Spanish-Version of Postural Assessment Scale for Stroke and activities of daily living using the Barthel Index. A total of 68 subjects out of 79 completed the three-month follow-up period. The mean difference (SD) between groups was 0.78 (1.51) points ( p = 0.003) for total score on the Spanish-Version of Trunk Impairment Scale 2.0, 2.52 (6.46) points ( p = 0.009) for Function in Sitting Test, dynamic standing balance was 3.30 (9.21) points ( p= 0.009) on the Berg Balance Scale, gait was 0.82 (1.88) points ( p = 0.002) by Brunel Balance Assessment (stepping), and 1.11 (2.94) points ( p = 0.044) by Tinetti Test (gait), all in favour of core stability exercises. Core stability exercises plus conventional physiotherapy have a positive long-term effect on improving dynamic sitting and standing balance and gait in post-stroke patients.
Three Classes of Nonparametric Differential Step Functioning Effect Estimators
ERIC Educational Resources Information Center
Penfield, Randall D.
2008-01-01
The examination of measurement invariance in polytomous items is complicated by the possibility that the magnitude and sign of lack of invariance may vary across the steps underlying the set of polytomous response options, a concept referred to as differential step functioning (DSF). This article describes three classes of nonparametric DSF effect…
Goebel-Goody, Susan M.; Baum, Matthew; Paspalas, Constantinos D.; Fernandez, Stephanie M.; Carty, Niki C.; Kurup, Pradeep
2012-01-01
Striatal-enriched protein tyrosine phosphatase (STEP) is a brain-specific phosphatase that modulates key signaling molecules involved in synaptic plasticity and neuronal function. Targets include extracellular-regulated kinase 1 and 2 (ERK1/2), stress-activated protein kinase p38 (p38), the Src family tyrosine kinase Fyn, N-methyl-d-aspartate receptors (NMDARs), and α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors (AMPARs). STEP-mediated dephosphorylation of ERK1/2, p38, and Fyn leads to inactivation of these enzymes, whereas STEP-mediated dephosphorylation of surface NMDARs and AMPARs promotes their endocytosis. Accordingly, the current model of STEP function posits that it opposes long-term potentiation and promotes long-term depression. Phosphorylation, cleavage, dimerization, ubiquitination, and local translation all converge to maintain an appropriate balance of STEP in the central nervous system. Accumulating evidence over the past decade indicates that STEP dysregulation contributes to the pathophysiology of several neuropsychiatric disorders, including Alzheimer's disease, schizophrenia, fragile X syndrome, epileptogenesis, alcohol-induced memory loss, Huntington's disease, drug abuse, stroke/ischemia, and inflammatory pain. This comprehensive review discusses STEP expression and regulation and highlights how disrupted STEP function contributes to the pathophysiology of diverse neuropsychiatric disorders. PMID:22090472
Engineering web maps with gradual content zoom based on streaming vector data
NASA Astrophysics Data System (ADS)
Huang, Lina; Meijers, Martijn; Šuba, Radan; van Oosterom, Peter
2016-04-01
Vario-scale data structures have been designed to support gradual content zoom and the progressive transfer of vector data, for use with arbitrary map scales. The focus to date has been on the server side, especially on how to convert geographic data into the proposed vario-scale structures by means of automated generalisation. This paper contributes to the ongoing vario-scale research by focusing on the client side and communication, particularly on how this works in a web-services setting. It is claimed that these functionalities are urgently needed, as many web-based applications, both desktop and mobile, require gradual content zoom, progressive transfer and a high performance level. The web-client prototypes developed in this paper make it possible to assess the behaviour of vario-scale data and to determine how users will actually see the interactions. Several different options of web-services communication architectures are possible in a vario-scale setting. These options are analysed and tested with various web-client prototypes, with respect to functionality, ease of implementation and performance (amount of transmitted data and response times). We show that the vario-scale data structure can fit in with current web-based architectures and efforts to standardise map distribution on the internet. However, to maximise the benefits of vario-scale data, a client needs to be aware of this structure. When a client needs a map to be refined (by means of a gradual content zoom operation), only the 'missing' data will be requested. This data will be sent incrementally to the client from a server. In this way, the amount of data transferred at one time is reduced, shortening the transmission time. In addition to these conceptual architecture aspects, there are many implementation and tooling design decisions at play. These will also be elaborated on in this paper. Based on the experiments conducted, we conclude that the vario-scale approach indeed supports gradual content zoom and the progressive web transfer of vector data. This is a big step forward in making vector data at arbitrary map scales available to larger user groups.
Venter, Jan A; Prins, Herbert H T; Mashanova, Alla; Slotow, Rob
2017-01-01
Finding suitable forage patches in a heterogeneous landscape, where patches change dynamically both spatially and temporally could be challenging to large herbivores, especially if they have no a priori knowledge of the location of the patches. We tested whether three large grazing herbivores with a variety of different traits improve their efficiency when foraging at a heterogeneous habitat patch scale by using visual cues to gain a priori knowledge about potential higher value foraging patches. For each species (zebra ( Equus burchelli ), red hartebeest ( Alcelaphus buselaphus subspecies camaa ) and eland ( Tragelaphus oryx )), we used step lengths and directionality of movement to infer whether they were using visual cues to find suitable forage patches at a habitat patch scale. Step lengths were significantly longer for all species when moving to non-visible patches than to visible patches, but all movements showed little directionality. Of the three species, zebra movements were the most directional. Red hartebeest had the shortest step lengths and zebra the longest. We conclude that these large grazing herbivores may not exclusively use visual cues when foraging at a habitat patch scale, but would rather adapt their movement behaviour, mainly step length, to the heterogeneity of the specific landscape.
Scalable and cleavable polysaccharide nanocarriers for the delivery of chemotherapy drugs.
Wang, Hao; Dai, Tingting; Li, Shengli; Zhou, Shuyan; Yuan, Xiaojing; You, Jiayi; Wang, Chenglong; Mukwaya, Vincent; Zhou, Guangdong; Liu, Guojun; Wei, Xiaohui; Dou, Hongjing
2018-05-01
While polysaccharide-based nanocarriers have been recognized for their crucial roles in tumor theranostics, the industrial-scale production of nanotherapeutics still remains a significant challenge. Most current approaches adopt a postpolymerization self-assembly strategy that follows a separate synthetic step and thus suffers from subgram scale yields and a limited range of application. In this study, we demonstrate the kilogram-scale formation of polysaccharide-polyacrylate nanocarriers at concentrations of up to 5 wt% through a one-pot approach - starting from various acrylate monomers and polysaccharides - that combines aspects of hydrophobicity-induced self-assembly with the free radical graft copolymerization of acrylate monomers from polysaccharide backbones into a single process that is thus denoted as a graft copolymerization induced self-assembly. We also demonstrate that this novel approach is applicable to a broad range of polysaccharides and acrylates. Notably, by choosing a crosslinker that bears a disulfide group and two vinyl capping groups to structurally lock the nanocarriers, the products are rendered cleavable in the reducing environments encountered at tumor sites and thus provide ideal candidates for the construction of anticancer nanotherapeutic systems. In vitro and in vivo studies demonstrated that the use of this nanocarrier for the delivery of doxorubicin hydrochloride (DOX) significantly decreased the side effects of DOX and improved the bio-safety of the chemotherapy accordingly. While polysaccharide-based nanocarriers have been recognized for their crucial roles in tumor theranostics, the industrial-scale production of these nanotherapeutics still remains a significant challenge. Most current approaches adopt a post-polymerization self-assembly strategy which that follows a separate synthetic step, and thus suffers from sub-gram scale yields and a limited range of application. In this study, the hydrophobic effect was combined with free radical polymerization to facilitate the graft copolymerization-induced self-assembly (GISA) of acrylate monomers with various hydrophobicities to construct cleavable polysaccharide-polyacrylate nanocarriers at a high efficiency with excellent potential for industrial-scale production. We envision that these nanocarriers will contribute to the development of tumor nanotheranostics that combine the biological functionalities of polysaccharides with the unmatched application-specific flexibility of nanocarriers. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Unmasking the masked Universe: the 2M++ catalogue through Bayesian eyes
NASA Astrophysics Data System (ADS)
Lavaux, Guilhem; Jasche, Jens
2016-01-01
This work describes a full Bayesian analysis of the Nearby Universe as traced by galaxies of the 2M++ survey. The analysis is run in two sequential steps. The first step self-consistently derives the luminosity-dependent galaxy biases, the power spectrum of matter fluctuations and matter density fields within a Gaussian statistic approximation. The second step makes a detailed analysis of the three-dimensional large-scale structures, assuming a fixed bias model and a fixed cosmology. This second step allows for the reconstruction of both the final density field and the initial conditions at z = 1000 assuming a fixed bias model. From these, we derive fields that self-consistently extrapolate the observed large-scale structures. We give two examples of these extrapolation and their utility for the detection of structures: the visibility of the Sloan Great Wall, and the detection and characterization of the Local Void using DIVA, a Lagrangian based technique to classify structures.
NASA Astrophysics Data System (ADS)
Li, Y. J.; Kokkinaki, Amalia; Darve, Eric F.; Kitanidis, Peter K.
2017-08-01
The operation of most engineered hydrogeological systems relies on simulating physical processes using numerical models with uncertain parameters and initial conditions. Predictions by such uncertain models can be greatly improved by Kalman-filter techniques that sequentially assimilate monitoring data. Each assimilation constitutes a nonlinear optimization, which is solved by linearizing an objective function about the model prediction and applying a linear correction to this prediction. However, if model parameters and initial conditions are uncertain, the optimization problem becomes strongly nonlinear and a linear correction may yield unphysical results. In this paper, we investigate the utility of one-step ahead smoothing, a variant of the traditional filtering process, to eliminate nonphysical results and reduce estimation artifacts caused by nonlinearities. We present the smoothing-based compressed state Kalman filter (sCSKF), an algorithm that combines one step ahead smoothing, in which current observations are used to correct the state and parameters one step back in time, with a nonensemble covariance compression scheme, that reduces the computational cost by efficiently exploring the high-dimensional state and parameter space. Numerical experiments show that when model parameters are uncertain and the states exhibit hyperbolic behavior with sharp fronts, as in CO2 storage applications, one-step ahead smoothing reduces overshooting errors and, by design, gives physically consistent state and parameter estimates. We compared sCSKF with commonly used data assimilation methods and showed that for the same computational cost, combining one step ahead smoothing and nonensemble compression is advantageous for real-time characterization and monitoring of large-scale hydrogeological systems with sharp moving fronts.
Transmission eigenchannels for coherent phonon transport
NASA Astrophysics Data System (ADS)
Klöckner, J. C.; Cuevas, J. C.; Pauly, F.
2018-04-01
We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illustrate our procedure by analyzing a one-dimensional chain, where all steps can be carried out analytically. More importantly, we show how the procedure can be combined with ab initio calculations to provide a better understanding of phonon heat transport in realistic atomic-scale junctions. In particular, we study the phonon eigenchannels in a gold metallic atomic-size contact and different single-molecule junctions based on molecules such as an alkane chain, a brominated benzene-diamine, where destructive phonon interference effects take place, and a C60 junction.
NASA Technical Reports Server (NTRS)
Watson, Andrew B. (Inventor); Ahumada, Albert J. (Inventor)
2014-01-01
A method of measuring motion blur is disclosed comprising obtaining a moving edge temporal profile r(sub 1)(k) of an image of a high-contrast moving edge, calculating the masked local contrast m(sub1)(k) for r(sub 1)(k) and the masked local contrast m(sub 2)(k) for an ideal step edge waveform r(sub 2)(k) with the same amplitude as r(sub 1)(k), and calculating the measure or motion blur Psi as a difference function, The masked local contrasts are calculated using a set of convolution kernels scaled to simulate the performance of the human visual system, and Psi is measured in units of just-noticeable differences.
Nanopatterning of steel by one-step anodization for anti-adhesion of bacteria.
Chen, Shiqiang; Li, Yuan; Cheng, Y Frank
2017-07-13
Surface nanopatterning of metals has been an effective technique for improved performance and functionalization. However, it is of great challenge to fabricate nanostructure on carbon steels despite their extensive use and urgent needs to maintain the performance reliability and durability. Here, we report a one-step anodization technique to nanopattern a carbon steel in 50 wt.% NaOH solution for highly effective anti-adhesion by sulphate reducing bacteria (SRB), i.e., Desulfovibrio desulfuricans subsp. desulfuricans (Beijerinck) Kluyver and van Niel. We characterize the morphology, structure, composition, and surface roughness of the nanostructured film formed on the steel as a function of anodizing potential. We quantify the surface hydrophobicity by contact angle measurements, and the SRB adhesion by fluorescent analysis. The optimal anodization potential of 2.0 V is determined for the best performance of anti-adhesion of SRB to the steel, resulting in a 23.5 times of reduction of SRB adhesion compared to bare steel. We discuss the mechanisms for the film formation on the steel during anodization, and the high-performance anti-adhesion of bacteria to nanopatterned steels. Our technique is simple, cost-effective and environment-friendly, providing a promising alternative for industry-scale surface nanopatterning of carbon steels for effective controlling of bacterial adhesion.
Why Online Education Will Attain Full Scale
ERIC Educational Resources Information Center
Sener, John
2010-01-01
Online higher education has attained scale and is poised to take the next step in its growth. Although significant obstacles to a full scale adoption of online education remain, we will see full scale adoption of online higher education within the next five to ten years. Practically all higher education students will experience online education in…
Lagrangian Statistics and Intermittency in Gulf of Mexico.
Lin, Liru; Zhuang, Wei; Huang, Yongxiang
2017-12-12
Due to the nonlinear interaction between different flow patterns, for instance, ocean current, meso-scale eddies, waves, etc, the movement of ocean is extremely complex, where a multiscale statistics is then relevant. In this work, a high time-resolution velocity with a time step 15 minutes obtained by the Lagrangian drifter deployed in the Gulf of Mexico (GoM) from July 2012 to October 2012 is considered. The measured Lagrangian velocity correlation function shows a strong daily cycle due to the diurnal tidal cycle. The estimated Fourier power spectrum E(f) implies a dual-power-law behavior which is separated by the daily cycle. The corresponding scaling exponents are close to -1.75 and -2.75 respectively for the time scale larger (resp. 0.1 ≤ f ≤ 0.4 day -1 ) and smaller (resp. 2 ≤ f ≤ 8 day -1 ) than 1 day. A Hilbert-based approach is then applied to this data set to identify the possible multifractal property of the cascade process. The results show an intermittent dynamics for the time scale larger than 1 day, while a less intermittent dynamics for the time scale smaller than 1 day. It is speculated that the energy is partially injected via the diurnal tidal movement and then transferred to larger and small scales through a complex cascade process, which needs more studies in the near future.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pak, A.; Dewald, E. L.; Landen, O. L.
2015-12-15
Temporally resolved measurements of the hohlraum radiation flux asymmetry incident onto a bismuth coated surrogate capsule have been made over the first two nanoseconds of ignition relevant laser pulses. Specifically, we study the P2 asymmetry of the incoming flux as a function of cone fraction, defined as the inner-to-total laser beam power ratio, for a variety of hohlraums with different scales and gas fills. This work was performed to understand the relevance of recent experiments, conducted in new reduced-scale neopentane gas filled hohlraums, to full scale helium filled ignition targets. Experimental measurements, matched by 3D view factor calculations, are usedmore » to infer differences in symmetry, relative beam absorption, and cross beam energy transfer (CBET), employing an analytic model. Despite differences in hohlraum dimensions and gas fill, as well as in laser beam pointing and power, we find that laser absorption, CBET, and the cone fraction, at which a symmetric flux is achieved, are similar to within 25% between experiments conducted in the reduced and full scale hohlraums. This work demonstrates a close surrogacy in the dynamics during the first shock between reduced-scale and full scale implosion experiments and is an important step in enabling the increased rate of study for physics associated with inertial confinement fusion.« less
Xu, Jiajiong; Tang, Wei; Ma, Jun; Wang, Hong
2017-07-01
Drinking water treatment processes remove undesirable chemicals and microorganisms from source water, which is vital to public health protection. The purpose of this study was to investigate the effects of treatment processes and configuration on the microbiome by comparing microbial community shifts in two series of different treatment processes operated in parallel within a full-scale drinking water treatment plant (DWTP) in Southeast China. Illumina sequencing of 16S rRNA genes of water samples demonstrated little effect of coagulation/sedimentation and pre-oxidation steps on bacterial communities, in contrast to dramatic and concurrent microbial community shifts during ozonation, granular activated carbon treatment, sand filtration, and disinfection for both series. A large number of unique operational taxonomic units (OTUs) at these four treatment steps further illustrated their strong shaping power towards the drinking water microbial communities. Interestingly, multidimensional scaling analysis revealed tight clustering of biofilm samples collected from different treatment steps, with Nitrospira, the nitrite-oxidizing bacteria, noted at higher relative abundances in biofilm compared to water samples. Overall, this study provides a snapshot of step-to-step microbial evolvement in multi-step drinking water treatment systems, and the results provide insight to control and manipulation of the drinking water microbiome via optimization of DWTP design and operation.
Electron transport in stepped Bi2Se3 thin films
NASA Astrophysics Data System (ADS)
Bauer, S.; Bobisch, C. A.
2017-08-01
We analyse the electron transport in a 16 quintuple layer thick stepped Bi2Se3 film grown on Si(1 1 1) by means of scanning tunnelling potentiometry (STP) and multi-point probe measurements. Scanning tunnelling microscopy images reveal that the local structure of the Bi2Se3 film is dominated by terrace steps and domain boundaries. From a microscopic study on the nm scale by STP, we find a mostly linear gradient of the voltage on the Bi2Se3 terraces which is interrupted by voltage drops at the position of the domain boundaries. The voltage drops indicate that the domain boundaries are scatterers for the electron transport. Macroscopic resistance measurements (2PP and in-line 4PP measurement) on the µm scale support the microscopic results. An additional rotational square 4PP measurement shows an electrical anisotropy of the sheet conductance parallel and perpendicular to the Bi2Se3 steps of about 10%. This is a result of the anisotropic step distribution at the stepped Bi2Se3 surface while domain boundaries are distributed isotropically. The determined value of the conductivity of the Bi2Se3 steps of about 1000 S cm-1 verifies the value of an earlier STP study.
Studies of numerical algorithms for gyrokinetics and the effects of shaping on plasma turbulence
NASA Astrophysics Data System (ADS)
Belli, Emily Ann
Advanced numerical algorithms for gyrokinetic simulations are explored for more effective studies of plasma turbulent transport. The gyrokinetic equations describe the dynamics of particles in 5-dimensional phase space, averaging over the fast gyromotion, and provide a foundation for studying plasma microturbulence in fusion devices and in astrophysical plasmas. Several algorithms for Eulerian/continuum gyrokinetic solvers are compared. An iterative implicit scheme based on numerical approximations of the plasma response is developed. This method reduces the long time needed to set-up implicit arrays, yet still has larger time step advantages similar to a fully implicit method. Various model preconditioners and iteration schemes, including Krylov-based solvers, are explored. An Alternating Direction Implicit algorithm is also studied and is surprisingly found to yield a severe stability restriction on the time step. Overall, an iterative Krylov algorithm might be the best approach for extensions of core tokamak gyrokinetic simulations to edge kinetic formulations and may be particularly useful for studies of large-scale ExB shear effects. The effects of flux surface shape on the gyrokinetic stability and transport of tokamak plasmas are studied using the nonlinear GS2 gyrokinetic code with analytic equilibria based on interpolations of representative JET-like shapes. High shaping is found to be a stabilizing influence on both the linear ITG instability and nonlinear ITG turbulence. A scaling of the heat flux with elongation of chi ˜ kappa-1.5 or kappa-2 (depending on the triangularity) is observed, which is consistent with previous gyrofluid simulations. Thus, the GS2 turbulence simulations are explaining a significant fraction, but not all, of the empirical elongation scaling. The remainder of the scaling may come from (1) the edge boundary conditions for core turbulence, and (2) the larger Dimits nonlinear critical temperature gradient shift due to the enhancement of zonal flows with shaping, which is observed with the GS2 simulations. Finally, a local linear trial function-based gyrokinetic code is developed to aid in fast scoping studies of gyrokinetic linear stability. This code is successfully benchmarked with the full GS2 code in the collisionless, electrostatic limit, as well as in the more general electromagnetic description with higher-order Hermite basis functions.
Nicolette, C A; Healey, D; Tcherepanova, I; Whelton, P; Monesmith, T; Coombs, L; Finke, L H; Whiteside, T; Miesowicz, F
2007-09-27
Dendritic cell (DC) active immunotherapy is potentially efficacious in a broad array of malignant disease settings. However, challenges remain in optimizing DC-based therapy for maximum clinical efficacy within manufacturing processes that permit quality control and scale-up of consistent products. In this review we discuss the critical issues that must be addressed in order to optimize DC-based product design and manufacture, and highlight the DC based platforms currently addressing these issues. Variables in DC-based product design include the type of antigenic payload used, DC maturation steps and activation processes, and functional assays. Issues to consider in development include: (a) minimizing the invasiveness of patient biological material collection; (b) minimizing handling and manipulations of tissue at the clinical site; (c) centralized product manufacturing and standardized processing and capacity for commercial-scale production; (d) rapid product release turnaround time; (e) the ability to manufacture sufficient product from limited starting material; and (f) standardized release criteria for DC phenotype and function. Improvements in the design and manufacture of DC products have resulted in a handful of promising leads currently in clinical development.
A strain energy filter for 3D vessel enhancement with application to pulmonary CT images.
Xiao, Changyan; Staring, Marius; Shamonin, Denis; Reiber, Johan H C; Stolk, Jan; Stoel, Berend C
2011-02-01
The traditional Hessian-related vessel filters often suffer from detecting complex structures like bifurcations due to an over-simplified cylindrical model. To solve this problem, we present a shape-tuned strain energy density function to measure vessel likelihood in 3D medical images. This method is initially inspired by established stress-strain principles in mechanics. By considering the Hessian matrix as a stress tensor, the three invariants from orthogonal tensor decomposition are used independently or combined to formulate distinctive functions for vascular shape discrimination, brightness contrast and structure strength measuring. Moreover, a mathematical description of Hessian eigenvalues for general vessel shapes is obtained, based on an intensity continuity assumption, and a relative Hessian strength term is presented to ensure the dominance of second-order derivatives as well as suppress undesired step-edges. Finally, we adopt the multi-scale scheme to find an optimal solution through scale space. The proposed method is validated in experiments with a digital phantom and non-contrast-enhanced pulmonary CT data. It is shown that our model performed more effectively in enhancing vessel bifurcations and preserving details, compared to three existing filters. Copyright © 2010 Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Ashe, Josie; Luscombe, David; Grand-Clement, Emilie; Gatis, Naomi; Anderson, Karen; Brazier, Richard
2014-05-01
The Exmoor/Dartmoor Mires Project is a peatland restoration programme focused on the geoclimatically marginal blanket bogs of South West England. In order to better understand the hydrological functioning of degraded/restored peatlands and support land management decisions across these uplands, this study is providing robust spatially distributed, hydrological monitoring at a high temporal resolution and in near real time. This paper presents the conceptual framework and experimental design for three hydrological monitoring arrays situated in headwater catchments dominated by eroding and drained blanket peatland. Over 250 individual measurements are collected at a high temporal resolution (15 minute time-step) via sensors integrated within a remote telemetry system. These are sent directly to a dedicated server over VHF and GPRS mobile networks. Sensors arrays are distributed at varying spatial scales throughout the studied catchments and record multiple parameters including: water table depth, channel flow, temperature, conductivity and pH measurements. A full suite of meteorological sensors and ten spatially distributed automatic flow based water samplers are also connected to the telemetry system and controlled remotely. This paper will highlight the challenges and solutions to obtaining these data in exceptionally remote and harsh field conditions over long (multi annual) temporal scales.
NASA Astrophysics Data System (ADS)
Prasai, Binay
We present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). Using in-operando high-energy X-ray diffraction we tracked the evolution of the atomic structure and activity of noble metal-transition metal(NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Data were analyzed in terms of atomic pair distribution functions and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore, we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation.
The Hydrodynamics and Odorant Transport Phenomena of Olfaction in the Hammerhead Shark
NASA Astrophysics Data System (ADS)
Rygg, Alex; Craven, Brent
2013-11-01
The hammerhead shark possesses a unique head morphology that is thought to facilitate enhanced olfactory performance. The olfactory organs, located at the distal ends of the cephalofoil, contain numerous lamellae that increase the surface area for olfaction. Functionally, for the shark to detect chemical stimuli, water-borne odors must reach the olfactory sensory epithelium that lines these lamellae. Thus, odorant transport from the aquatic environment to the sensory epithelium is the first critical step in olfaction. Here we investigate the hydrodynamics and odorant transport phenomena of olfaction in the hammerhead shark based on an anatomically-accurate reconstruction of the head and olfactory chamber from high-resolution micro-CT and MRI scans of a cadaver specimen. Computational fluid dynamics (CFD) simulations of water flow in the reconstructed model reveal the external and internal hydrodynamics of olfaction during swimming. Odorant transport in the olfactory organ is investigated using a multi-scale approach, whereby molecular dynamics (MD) simulations are used to calculate odorant partition coefficients that are subsequently utilized in macro-scale CFD simulations of odorant deposition. The hydrodynamic and odorant transport results are used to elucidate several important features of olfactory function in the hammerhead shark.
Yuan, Liang (Leon); Herman, Peter R.
2016-01-01
Three-dimensional (3D) periodic nanostructures underpin a promising research direction on the frontiers of nanoscience and technology to generate advanced materials for exploiting novel photonic crystal (PC) and nanofluidic functionalities. However, formation of uniform and defect-free 3D periodic structures over large areas that can further integrate into multifunctional devices has remained a major challenge. Here, we introduce a laser scanning holographic method for 3D exposure in thick photoresist that combines the unique advantages of large area 3D holographic interference lithography (HIL) with the flexible patterning of laser direct writing to form both micro- and nano-structures in a single exposure step. Phase mask interference patterns accumulated over multiple overlapping scans are shown to stitch seamlessly and form uniform 3D nanostructure with beam size scaled to small 200 μm diameter. In this way, laser scanning is presented as a facile means to embed 3D PC structure within microfluidic channels for integration into an optofluidic lab-on-chip, demonstrating a new laser HIL writing approach for creating multi-scale integrated microsystems. PMID:26922872
Pedestrian detection in crowded scenes with the histogram of gradients principle
NASA Astrophysics Data System (ADS)
Sidla, O.; Rosner, M.; Lypetskyy, Y.
2006-10-01
This paper describes a close to real-time scale invariant implementation of a pedestrian detector system which is based on the Histogram of Oriented Gradients (HOG) principle. Salient HOG features are first selected from a manually created very large database of samples with an evolutionary optimization procedure that directly trains a polynomial Support Vector Machine (SVM). Real-time operation is achieved by a cascaded 2-step classifier which uses first a very fast linear SVM (with the same features as the polynomial SVM) to reject most of the irrelevant detections and then computes the decision function with a polynomial SVM on the remaining set of candidate detections. Scale invariance is achieved by running the detector of constant size on scaled versions of the original input images and by clustering the results over all resolutions. The pedestrian detection system has been implemented in two versions: i) fully body detection, and ii) upper body only detection. The latter is especially suited for very busy and crowded scenarios. On a state-of-the-art PC it is able to run at a frequency of 8 - 20 frames/sec.
Skvortsova, V I; Ivanova, G E; Kovrazhkina, E A; Rumiantseva, N A; Staritsyn, A N; Suvorov, A Iu; Sogomonian, E K
2008-01-01
An aim of the study was to evaluate efficacy of using Gait Trainer GT1, a robot-assisted gait trainer with a system of body-weight support, for the rehabilitation of gait in patients in the acute period of cerebral stroke. A main group included 30 patients in the acute period of ischemic and hemorrhage stroke and a control group--20 age- and sex matched patients. Patients of both groups had daily kinesitherapy sessions with a rehabilitator. Patients of the main group had additional sessions on the Gait Trainer GT1 from the moment of functional readiness to adequate orthostatic probe. Efficacy of rehabilitation was assessed in the four following phases: the first verticalization of patient in the standing position, adaptation of patient to the standing position, walking with assistance, independent walking. Muscular power (scores) in all muscles of low extremities, muscle tonus (the Ashfort scale), amplitude of tendinous reflexes on the reflexes scale, sensory disturbances and discoordination syndromes (specially elaborated scales), pathological positions in the axial muscular system and extremities, functional status (a steadiness scale, the Berg balance scale, the Barthel scale, 5 m test) were assessed in each phase. Stabilometry was conducted for objective evaluation of vertical balance function. The duration of sessions on GT1 and a number of exercises were depended on the patient's tolerability to physical activity. Percentage of relief was determined by the ability of a patient to balance in the standing position. Each patient had 8-10 sessions. A significant improvement of the functional status: ability to balance in standing position, walking, increase of self-care skills were observed in both groups. No significant differences in the level of functional improvements were found compared to the control group. However some peculiarities of the rehabilitation of primary neurologic deficit were observed during CT1-trainings: the normalization of muscle tonus both in spastic and hypotonic muscles, predominate rehabilitation of flexor muscular system (p = 0.005), significant improvement of deep and surface sensitivity (p < 0.005). The stabilometric data revealed the normalization of strategy of vertical posture support--from hip to ankle (p = 0.001), proprioceptive control of balance by the Romberg coefficient (p = 0.005). Robot-assisted gait trainers are commonly used in trainings of step patterns in highly disabled patients who are not able to walk without assistance. These peculiarities of the rehabilitation of primary neurologic deficit during the GT-trainings allowed to use a differential approach to a candidate selection for the sessions.
NASA Astrophysics Data System (ADS)
Wang, Qiufeng; Tian, Jing; Yu, Guirui
2014-05-01
Patterns in the spatial distribution of organisms provide important information about mechanisms that regulate the diversity and complexity of soil ecosystems. Therefore, information on spatial distribution of microbial community composition and functional diversity is urgently necessary. The spatial variability on a 26×36 m plot and vertical distribution (0-10 cm and 10-20 cm) of soil microbial community composition and functional diversity were studied in a natural broad-leaved Korean pine (Pinus koraiensis) mixed forest soil in Changbai Mountain. The phospholipid fatty acid (PLFA) pattern was used to characterize the soil microbial community composition and was compared with the community substrate utilization pattern using Biolog. Bacterial biomass dominated and showed higher variability than fungal biomass at all scales examined. The microbial biomass decreased with soil depths increased and showed less variability in lower 10-20 cm soil layer. The Shannon-Weaver index value for microbial functional diversity showed higher variability in upper 0-10 cm than lower 10-20 cm soil layer. Carbohydrates, carboxylic acids, polymers and amino acids are the main carbon sources possessing higher utilization efficiency or utilization intensity. At the same time, the four carbon source types contributed to the differentiation of soil microbial communities. This study suggests the higher diversity and complexity for this mix forest ecosystem. To determine the driving factors that affect this spatial variability of microorganism is the next step for our study.
Bae, Young-Hyeon; Ko, Young Jun; Chang, Won Hyuk; Lee, Ju Hyeok; Lee, Kyeong Bong; Park, Yoo Jung; Ha, Hyun Geun; Kim, Yun-Hee
2014-12-01
[Purpose] The purpose of the present study was to investigate the effects of robot-assisted gait training combined with functional electrical stimulation on locomotor recovery in patients with chronic stroke. [Subjects] The 20 subjects were randomly assigned into either an experimental group (n = 10) that received a combination of robot-assisted gait training and functional electrical stimulation on the ankle dorsiflexor of the affected side or a control group (n = 10) that received robot-assisted gait training only. [Methods] Both groups received the respective therapies for 30 min/day, 3 days/week for 5 weeks. The outcome was measured using the Modified Motor Assessment Scale (MMAS), Timed Up-and-Go Test (TUG), Berg Balance Scale (BBS), and gait parameters through gait analysis (Vicon 370 motion analysis system, Oxford Metrics Ltd., Oxford, UK). All the variables were measured before and after training. [Results] Step length and maximal knee extension were significantly greater than those before training in the experimental group only. Maximal Knee flexion showed a significant difference between the experimental and control groups. The MMAS, BBS, and TUG scores improved significantly after training compared with before training in both groups. [Conclusion] We suggest that the combination of robot-assisted gait training and functional electrical stimulation encourages patients to actively participate in training because it facilitates locomotor recovery without the risk of adverse effects.
Noroozian, Maryam; Shakiba, Alia; Iran-nejad, Shahrzad
2014-12-01
Dementia and Alzheimer's disease (AD) is considered a major public health challenge in this decade and in the future. Early detection of AD through appropriate screening tools would be valuable approach in facing the burden of disease specifically in developing societies with insufficient resources. Selecting a screening tool which is non-expensive, non-invasive and implementable by trained primary healthcare providers is the first and probably the most important step in detecting high risk individuals. The goal of this review is to address the key issues in assessment tools in developing countries with a high level of illiteracy. We set about a review on literature on the subject of cognitive function assessment among minorities, people with low or no education, and people who live in underdeveloped societies. We also reviewed the studies on validation of such tests in a new society. The most popular assessment tools are more or less biased by the level of education; not all of them are useful for any type of dementia as they assess only some domains of cognitive function. Even though people with lower level of education have a higher rate of developing dementia, cognitive function cannot be accurately assessed because of limitations of current available tools. It is strongly suggested that special attention be paid to assess them by functional scales and activity daily living scales. For a more efficient assessment, cognitive tests can also benefit from illustrative questions, proverbs, metaphors, traditions, religious rituals and historical events.
Assessment of protein set coherence using functional annotations
Chagoyen, Monica; Carazo, Jose M; Pascual-Montano, Alberto
2008-01-01
Background Analysis of large-scale experimental datasets frequently produces one or more sets of proteins that are subsequently mined for functional interpretation and validation. To this end, a number of computational methods have been devised that rely on the analysis of functional annotations. Although current methods provide valuable information (e.g. significantly enriched annotations, pairwise functional similarities), they do not specifically measure the degree of homogeneity of a protein set. Results In this work we present a method that scores the degree of functional homogeneity, or coherence, of a set of proteins on the basis of the global similarity of their functional annotations. The method uses statistical hypothesis testing to assess the significance of the set in the context of the functional space of a reference set. As such, it can be used as a first step in the validation of sets expected to be homogeneous prior to further functional interpretation. Conclusion We evaluate our method by analysing known biologically relevant sets as well as random ones. The known relevant sets comprise macromolecular complexes, cellular components and pathways described for Saccharomyces cerevisiae, which are mostly significantly coherent. Finally, we illustrate the usefulness of our approach for validating 'functional modules' obtained from computational analysis of protein-protein interaction networks. Matlab code and supplementary data are available at PMID:18937846
Thimmaiah, Tim; Voje, William E; Carothers, James M
2015-01-01
With progress toward inexpensive, large-scale DNA assembly, the demand for simulation tools that allow the rapid construction of synthetic biological devices with predictable behaviors continues to increase. By combining engineered transcript components, such as ribosome binding sites, transcriptional terminators, ligand-binding aptamers, catalytic ribozymes, and aptamer-controlled ribozymes (aptazymes), gene expression in bacteria can be fine-tuned, with many corollaries and applications in yeast and mammalian cells. The successful design of genetic constructs that implement these kinds of RNA-based control mechanisms requires modeling and analyzing kinetically determined co-transcriptional folding pathways. Transcript design methods using stochastic kinetic folding simulations to search spacer sequence libraries for motifs enabling the assembly of RNA component parts into static ribozyme- and dynamic aptazyme-regulated expression devices with quantitatively predictable functions (rREDs and aREDs, respectively) have been described (Carothers et al., Science 334:1716-1719, 2011). Here, we provide a detailed practical procedure for computational transcript design by illustrating a high throughput, multiprocessor approach for evaluating spacer sequences and generating functional rREDs. This chapter is written as a tutorial, complete with pseudo-code and step-by-step instructions for setting up a computational cluster with an Amazon, Inc. web server and performing the large numbers of kinefold-based stochastic kinetic co-transcriptional folding simulations needed to design functional rREDs and aREDs. The method described here should be broadly applicable for designing and analyzing a variety of synthetic RNA parts, devices and transcripts.
Brown, Kenneth H; Baker, Shawn K
2009-03-01
This paper summarizes the results of the foregoing reviews of the impact of different intervention strategies designed to enhance zinc nutrition, including supplementation, fortification, and dietary diversification or modification. Current evidence indicates a beneficial impact of such interventions on zinc status and zinc-related functional outcomes. Preventive zinc supplementation reduces the incidence of diarrhea and acute lower respiratory tract infection among young children, decreases mortality of children over 12 months of age, and increases growth velocity. Therapeutic zinc supplementation during episodes of diarrhea reduces the duration and severity of illness. Zinc fortification increases zinc intake and total absorbed zinc, and recent studies are beginning to confirm a positive impact of zinc fortification on indicators of population zinc status. To assist with the development of zinc intervention programs, more information is needed on the prevalence of zinc deficiency in different countries, and rigorous evaluations of the effectiveness of large-scale zinc intervention programs should be planned. Recommended steps for scaling up zinc intervention programs, with or without other micronutrients, are described. In summary, there is now clear evidence of the benefit of selected interventions to reduce the risk of zinc deficiency, and a global commitment is urgently needed to conduct systematic assessments of population zinc status and to develop interventions to control zinc deficiency in the context of existing public health and nutrition programs.
Large-scale production and isolation of Candida biofilm extracellular matrix.
Zarnowski, Robert; Sanchez, Hiram; Andes, David R
2016-12-01
The extracellular matrix of biofilm is unique to the biofilm lifestyle, and it has key roles in community survival. A complete understanding of the biochemical nature of the matrix is integral to the understanding of the roles of matrix components. This knowledge is a first step toward the development of novel therapeutics and diagnostics to address persistent biofilm infections. Many of the assay methods needed for refined matrix composition analysis require milligram amounts of material that is separated from the cellular components of these complex communities. The protocol described here explains the large-scale production and isolation of the Candida biofilm extracellular matrix. To our knowledge, the proposed procedure is the only currently available approach in the field that yields milligram amounts of biofilm matrix. This procedure first requires biofilms to be seeded in large-surface-area roller bottles, followed by cell adhesion and biofilm maturation during continuous movement of the medium across the surface of the rotating bottle. The formed matrix is then separated from the entire biomass using sonication, which efficiently removes the matrix without perturbing the fungal cell wall. Subsequent filtration, dialysis and lyophilization steps result in a purified matrix product sufficient for biochemical, structural and functional assays. The overall protocol takes ∼11 d to complete. This protocol has been used for Candida species, but, using the troubleshooting guide provided, it could be adapted for other fungi or bacteria.
Makarona, Eleni; Peter, Beatrix; Szekacs, Inna; Tsamis, Christos; Horvath, Robert
2016-01-01
The development of artificial surfaces which can regulate or trigger specific functions of living cells, and which are capable of inducing in vivo-like cell behaviors under in vitro conditions has been a long-sought goal over the past twenty years. In this work, an alternative, facile and cost-efficient method for mass-producible cellular templates is presented. The proposed methodology consists of a cost-efficient, two-step, all-wet technique capable of producing ZnO-based nanostructures on predefined patterns on a variety of substrates. ZnO—apart from the fact that it is a biocompatible material—was chosen because of its multifunctional nature which has rendered it a versatile material employed in a wide range of applications. Si, Si3N4, emulated microelectrode arrays and conventional glass cover slips were patterned at the micrometer scale and the patterns were filled with ZnO nanostructures. Using HeLa cells, we demonstrated that the fabricated nanotopographical features could promote guided cellular adhesion on the pre-defined micron-scale patterns only through nanomechanical cues without the need for further surface activation or modification. The basic steps of the micro/nanofabrication are presented and the results from the cell adhesion experiments are discussed, showing the potential of the suggested methodology for creating low-cost templates for engineered cellular networks. PMID:28773382
Toward regional-scale adjoint tomography in the deep earth
NASA Astrophysics Data System (ADS)
Masson, Y.; Romanowicz, B. A.
2013-12-01
Thanks to the development of efficient numerical computation methods, such as the Spectral Element Method (SEM) and to the increasing power of computer clusters, it is now possible to obtain regional-scale images of the Earth's interior using adjoint-tomography (e.g. Tape, C., et al., 2009). As for now, these tomographic models are limited to the upper layers of the earth, i.e., they provide us with high-resolution images of the crust and the upper part of the mantle. Given the gigantic amount of calculation it represents, obtaing similar models at the global scale (i.e. images of the entire Earth) seems out of reach at the moment. Furthermore, it's likely that the first generation of such global adjoint tomographic models will have a resolution significantly smaller than the current regional models. In order to image regions of interests in the deep Earth, such as plumes, slabs or large low shear velocity provinces (LLSVPs), while keeping the computation tractable, we are developing new tools that will allow us to perform regional-scale adjoint-tomography at arbitrary depths. In a recent study (Masson et al., 2013), we showed that a numerical equivalent of the time reversal mirrors used in experimental acoustics permits to confine the wave propagation computations (i.e. using SEM simulations) inside the region to be imaged. With this ability to limit wave propagation modeling inside a region of interest, obtaining the adjoint sensitivity kernels needed for tomographic imaging is only two steps further. First, the local wavefield modeling needs to be coupled with field extrapolation techniques in order to obtain synthetic seismograms at the surface of the earth. These seismograms will account for the 3D structure inside the region of interest in a quasi-exact manner. We will present preliminary results where the field-extrapolation is performed using Green's function computed in a 1D Earth model thanks to the Direct Solution Method (DSM). Once synthetic seismograms can be obtained, it is possible to evaluate the misfit between observed and computed seismograms. The second step will then be to extrapolate the misfit function back into the SEM region in order to compute local adjoint sensitivity kernels. When available, these kernels will allow us to perform regional-scale adjoint tomography at arbitrary locations inside the earth. Masson Y., Cupillard P., Capdeville Y., & Romanowicz B., 2013. On the numerical implementation of time-reversal mirrors for tomographic imaging, Journal of Geophysical Research (under review). Tape, C., et al. (2009). "Adjoint tomography of the southern California crust." Science 325(5943): 988-992.
Non-equivalent contributions of maternal and paternal genomes to early plant embryogenesis.
Del Toro-De León, Gerardo; García-Aguilar, Marcelina; Gillmor, C Stewart
2014-10-30
Zygotic genome activation in metazoans typically occurs several hours to a day after fertilization, and thus maternal RNAs and proteins drive early animal embryo development. In plants, despite several molecular studies of post-fertilization transcriptional activation, the timing of zygotic genome activation remains a matter of debate. For example, two recent reports that used different hybrid ecotype combinations for RNA sequence profiling of early Arabidopsis embryo transcriptomes came to divergent conclusions. One identified paternal contributions that varied by gene, but with overall maternal dominance, while the other found that the maternal and paternal genomes are transcriptionally equivalent. Here we assess paternal gene activation functionally in an isogenic background, by performing a large-scale genetic analysis of 49 EMBRYO DEFECTIVE genes and testing the ability of wild-type paternal alleles to complement phenotypes conditioned by mutant maternal alleles. Our results demonstrate that wild-type paternal alleles for nine of these genes are completely functional 2 days after pollination, with the remaining 40 genes showing partial activity beginning at 2, 3 or 5 days after pollination. Using our functional assay, we also demonstrate that different hybrid combinations exhibit significant variation in paternal allele activation, reconciling the apparently contradictory results of previous transcriptional studies. The variation in timing of gene function that we observe confirms that paternal genome activation does not occur in one early discrete step, provides large-scale functional evidence that maternal and paternal genomes make non-equivalent contributions to early plant embryogenesis, and uncovers an unexpectedly profound effect of hybrid genetic backgrounds on paternal gene activity.
A Multivariate Granger Causality Concept towards Full Brain Functional Connectivity.
Schmidt, Christoph; Pester, Britta; Schmid-Hertel, Nicole; Witte, Herbert; Wismüller, Axel; Leistritz, Lutz
2016-01-01
Detecting changes of spatially high-resolution functional connectivity patterns in the brain is crucial for improving the fundamental understanding of brain function in both health and disease, yet still poses one of the biggest challenges in computational neuroscience. Currently, classical multivariate Granger Causality analyses of directed interactions between single process components in coupled systems are commonly restricted to spatially low- dimensional data, which requires a pre-selection or aggregation of time series as a preprocessing step. In this paper we propose a new fully multivariate Granger Causality approach with embedded dimension reduction that makes it possible to obtain a representation of functional connectivity for spatially high-dimensional data. The resulting functional connectivity networks may consist of several thousand vertices and thus contain more detailed information compared to connectivity networks obtained from approaches based on particular regions of interest. Our large scale Granger Causality approach is applied to synthetic and resting state fMRI data with a focus on how well network community structure, which represents a functional segmentation of the network, is preserved. It is demonstrated that a number of different community detection algorithms, which utilize a variety of algorithmic strategies and exploit topological features differently, reveal meaningful information on the underlying network module structure.
The Dispositions for Culturally Responsive Pedagogy Scale
ERIC Educational Resources Information Center
Whitaker, Manya C.; Valtierra, Kristina Marie
2018-01-01
Purpose: The purpose of this study is to develop and validate the dispositions for culturally responsive pedagogy scale (DCRPS). Design/methodology/approach: Scale development consisted of a six-step process including item development, expert review, exploratory factor analysis, factor interpretation, confirmatory factor analysis and convergent…
USDA-ARS?s Scientific Manuscript database
Proper identification of soft scales (Hemiptera:Coccidae) requires preparation of the specimen on a microscope slide. This training video provides visual instruction on how to prepare soft scale specimens on microscope slides for examination and identification. Steps ranging from collection, speci...
Liu, Ke; Zhang, Jian; Bao, Jie
2015-11-01
A two stage hydrolysis of corn stover was designed to solve the difficulties between sufficient mixing at high solids content and high power input encountered in large scale bioreactors. The process starts with the quick liquefaction to convert solid cellulose to liquid slurry with strong mixing in small reactors, then followed the comprehensive hydrolysis to complete saccharification into fermentable sugars in large reactors without agitation apparatus. 60% of the mixing energy consumption was saved by removing the mixing apparatus in large scale vessels. Scale-up ratio was small for the first step hydrolysis reactors because of the reduced reactor volume. For large saccharification reactors in the second step, the scale-up was easy because of no mixing mechanism was involved. This two stage hydrolysis is applicable for either simple hydrolysis or combined fermentation processes. The method provided a practical process option for industrial scale biorefinery processing of lignocellulose biomass. Copyright © 2015 Elsevier Ltd. All rights reserved.
Scaling to Nanotechnology Limits with the PIMS Computer Architecture and a new Scaling Rule
DOE Office of Scientific and Technical Information (OSTI.GOV)
Debenedictis, Erik P.
2015-02-01
We describe a new approach to computing that moves towards the limits of nanotechnology using a newly formulated sc aling rule. This is in contrast to the current computer industry scali ng away from von Neumann's original computer at the rate of Moore's Law. We extend Moore's Law to 3D, which l eads generally to architectures that integrate logic and memory. To keep pow er dissipation cons tant through a 2D surface of the 3D structure requires using adiabatic principles. We call our newly proposed architecture Processor In Memory and Storage (PIMS). We propose a new computational model that integratesmore » processing and memory into "tiles" that comprise logic, memory/storage, and communications functions. Since the programming model will be relatively stable as a system scales, programs repr esented by tiles could be executed in a PIMS system built with today's technology or could become the "schematic diagram" for implementation in an ultimate 3D nanotechnology of the future. We build a systems software approach that offers advantages over and above the technological and arch itectural advantages. Firs t, the algorithms may be more efficient in the conventional sens e of having fewer steps. Second, the algorithms may run with higher power efficiency per operation by being a better match for the adiabatic scaling ru le. The performance analysis based on demonstrated ideas in physical science suggests 80,000 x improvement in cost per operation for the (arguably) gene ral purpose function of emulating neurons in Deep Learning.« less