Growth, characterization and estimation of lattice strain and size in CdS nanoparticles: X-ray peak profile analysis

NASA Astrophysics Data System (ADS)

Solanki, Rekha Garg; Rajaram, Poolla; Bajpai, P. K.

2018-05-01

This work is based on the growth, characterization and estimation of lattice strain and crystallite size in CdS nanoparticles by X-ray peak profile analysis. The CdS nanoparticles were synthesized by a non-aqueous solvothermal method and were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman and UV-visible spectroscopy. XRD confirms that the CdS nanoparticles have the hexagonal structure. The Williamson-Hall (W-H) method was used to study the X-ray peak profile analysis. The strain-size plot (SSP) was used to study the individual contributions of crystallite size and lattice strain from the X-rays peaks. The physical parameters such as strain, stress and energy density values were calculated using various models namely, isotropic strain model, anisotropic strain model and uniform deformation energy density model. The particle size was estimated from the TEM images to be in the range of 20-40 nm. The Raman spectrum shows the characteristic optical 1LO and 2LO vibrational modes of CdS. UV-visible absorption studies show that the band gap of the CdS nanoparticles is 2.48 eV. The results show that the crystallite size estimated from Scherrer's formula, W-H plots, SSP and the particle size calculated by TEM images are approximately similar.

Approximate Stokes Drift Profiles and their use in Ocean Modelling

NASA Astrophysics Data System (ADS)

Breivik, Oyvind; Bidlot, Jea-Raymond; Janssen, Peter A. E. M.; Mogensen, Kristian

2016-04-01

Deep-water approximations to the Stokes drift velocity profile are explored as alternatives to the monochromatic profile. The alternative profiles investigated rely on the same two quantities required for the monochromatic profile, viz the Stokes transport and the surface Stokes drift velocity. Comparisons against parametric spectra and profiles under wave spectra from the ERA-Interim reanalysis and buoy observations reveal much better agreement than the monochromatic profile even for complex sea states. That the profiles give a closer match and a more correct shear has implications for ocean circulation models since the Coriolis-Stokes force depends on the magnitude and direction of the Stokes drift profile and Langmuir turbulence parameterizations depend sensitively on the shear of the profile. Of the two Stokes drift profiles explored here, the profile based on the Phillips spectrum is by far the best. In particular, the shear near the surface is almost identical to that influenced by the f-5 tail of spectral wave models. The NEMO general circulation ocean model was recently extended to incorporate the Stokes-Coriolis force along with two other wave-related effects. The ECWMF coupled atmosphere-wave-ocean ensemble forecast system now includes these wave effects in the ocean model component (NEMO).

Comparisons of Airborne HSRL and Modeled Aerosol Profiles

NASA Astrophysics Data System (ADS)

Ferrare, R. A.; Burton, S. P.; Hostetler, C. A.; Hair, J. W.; Ismail, S.; Rogers, R. R.; Notari, A.; Berkoff, T.; Butler, C. F.; Collins, J. E., Jr.; Fenn, M. A.; Scarino, A. J.; Clayton, M.; Mueller, D.; Chemyakin, E.; Fast, J. D.; Berg, L. K.; Randles, C. A.; Colarco, P. R.; daSilva, A.

2014-12-01

Aerosol profiles derived from a regional and a global model are compared with aerosol profiles acquired by NASA Langley Research Center (LaRC) airborne High Spectral Resolution Lidars (HSRLs) during recent field missions. We compare simulated aerosol profiles obtained from the WRF-Chem regional model with those measured by the airborne HSRL-2 instrument over the Atlantic Ocean east of Cape Cod in July 2012 during the Department of Energy Two-Column Aerosol Project (TCAP). While deployed on the LaRC King Air during TCAP, HSRL-2 acquired profiles of aerosol extinction at 355 and 532 nm, as well as aerosol backscatter and depolarization at 355, 532, and 1064 nm. Additional HSRL-2 data products include profiles of aerosol type, mixed layer depth, and aerosol microphysical parameters (e.g. effective radius, concentration). The HSRL-2 and WRF-Chem aerosol profiles are compared along the aircraft flight tracks. HSRL-2 profiles acquired during the NASA Deriving Information on Surface Conditions from COlumn and VERtically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) mission over Houston during September 2013 are compared with the NASA Goddard Earth Observing System global model, version 5 (GEOS-5) profiles. In addition to comparing backscatter and extinction profiles, the fraction of aerosol extinction and optical thickness from various aerosol species from GEOS-5 are compared with aerosol extinction and optical thickness contributed by aerosol types derived from HSRL-2 data. We also compare aerosol profiles modeled by GEOS-5 with those measured by the airborne LaRC DIAL/HSRL instrument during August and September 2013 when it was deployed on the NASA DC-8 for the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) mission. DIAL/HSRL measured extinction (532 nm), backscatter (532 and 1064 nm), and depolarization profiles (532 and 1064 nm) in both nadir and zenith directions during long transects over the

Parent Prevention Communication Profiles and Adolescent Substance Use: A Latent Profile Analysis and Growth Curve Model

PubMed Central

Choi, Hye Jeong; Miller-Day, Michelle; Shin, YoungJu; Hecht, Michael L.; Pettigrew, Jonathan; Krieger, Janice L.; Lee, JeongKyu; Graham, John W.

2017-01-01

This current study identifies distinct parent prevention communication profiles and examines whether youth with different parental communication profiles have varying substance use trajectories over time. Eleven schools in two rural school districts in the Midwestern United States were selected, and 784 students were surveyed at three time points from the beginning of 7th grade to the end of 8th grade. A series of latent profile analyses were performed to identify discrete profiles/subgroups of substance-specific prevention communication (SSPC). The results revealed a 4-profile model of SSPC: Active-Open, Passive-Open, Active-Silent, and Passive-Silent. A growth curve model revealed different rates of lifetime substance use depending on the youth’s SSPC profile. These findings have implications for parenting interventions and tailoring messages for parents to fit specific SSPC profiles. PMID:29056872

User's Guide for Monthly Vector Wind Profile Model

NASA Technical Reports Server (NTRS)

Adelfang, S. I.

1999-01-01

The background, theoretical concepts, and methodology for construction of vector wind profiles based on a statistical model are presented. The derived monthly vector wind profiles are to be applied by the launch vehicle design community for establishing realistic estimates of critical vehicle design parameter dispersions related to wind profile dispersions. During initial studies a number of months are used to establish the model profiles that produce the largest monthly dispersions of ascent vehicle aerodynamic load indicators. The largest monthly dispersions for wind, which occur during the winter high-wind months, are used for establishing the design reference dispersions for the aerodynamic load indicators. This document includes a description of the computational process for the vector wind model including specification of input data, parameter settings, and output data formats. Sample output data listings are provided to aid the user in the verification of test output.

Approximate Stokes Drift Profiles and their use in Ocean Modelling

NASA Astrophysics Data System (ADS)

Breivik, O.; Biblot, J.; Janssen, P. A. E. M.

2016-02-01

Deep-water approximations to the Stokes drift velocity profile are explored as alternatives to the monochromatic profile. The alternative profiles investigated rely on the same two quantities required for the monochromatic profile, viz the Stokes transport and the surface Stokes drift velocity. Comparisons with parametric spectra and profiles under wave spectra from the ERA-Interim reanalysis and buoy observations reveal much better agreement than the monochromatic profile even for complex sea states. That the profiles give a closer match and a more correct shear has implications for ocean circulation models since the Coriolis-Stokes force depends on the magnitude and direction of the Stokes drift profile and Langmuir turbulence parameterizations depend sensitively on the shear of the profile. The NEMO general circulation ocean model was recently extended to incorporate the Stokes-Coriolis force along with two other wave-related effects. I will show some results from the coupled atmosphere-wave-ocean ensemble forecast system of ECMWF where these wave effects are now included in the ocean model component.

Modeling the CAPTEX Vertical Tracer Concentration Profiles.

NASA Astrophysics Data System (ADS)

Draxler, Roland R.; Stunder, Barbara J. B.

1988-05-01

Perfluorocarbon tracer concentration profiles measured by aircraft 600-900 km downwind of the release locations during CAPTEX are discussed and compared with some model results. In general, the concentrations decreased with height in the upper half of the boundary layer where the aircraft measurements were made. The results of a model sensitivity study suggested that the shape of the profile was primarily due to winds increasing with height and relative position of the sampling with respect to the upwind and downwind edge of the plume. Further modeling studies showed that relatively simple vertical mixing parameterizations could account for the complex vertical plume structure when the model had sufficient vertical resolution. In general, the model performed better with slower winds and corresponding longer transport times.

Cored density profiles in the DARKexp model

NASA Astrophysics Data System (ADS)

Destri, Claudio

2018-05-01

The DARKexp model represents a novel and promising attempt to solve a long standing problem of statistical mechanics, that of explaining from first principles the quasi-stationary states at the end of the collisionless gravitational collapse. The model, which yields good fits to observation and simulation data on several scales, was originally conceived to provide a theoretical basis for the 1/r cusp of the Navarro-Frenk-White profile. In this note we show that it also allows for cored density profiles that, when viewed in three dimensions, in the r→0 limit have the conical shape characteristic of the Burkert profile. It remains to be established whether both cusps and cores, or only one of the two types, are allowed beyond the asymptotic analysis of this work.

Insight into the Am-O Phase Equilibria: A Thermodynamic Study Coupling High-Temperature XRD and CALPHAD Modeling.

PubMed

Epifano, Enrica; Guéneau, Christine; Belin, Renaud C; Vauchy, Romain; Lebreton, Florent; Richaud, Jean-Christophe; Joly, Alexis; Valot, Christophe; Martin, Philippe M

2017-07-03

In the frame of minor actinide transmutation, americium can be diluted in UO 2 and (U, Pu)O 2 fuels burned in fast neutron reactors. The first mandatory step to foresee the influence of Am on the in-reactor behavior of transmutation targets or fuel is to have fundamental knowledge of the Am-O binary system and, in particular, of the AmO 2-x phase. In this study, we coupled HT-XRD (high-temperature X-ray diffraction) experiments with CALPHAD thermodynamic modeling to provide new insights into the structural properties and phase equilibria in the AmO 2-x -AmO 1.61+x -Am 2 O 3 domain. Because of this approach, we were able for the first time to assess the relationships between temperature, lattice parameter, and hypostoichiometry for fcc AmO 2-x . We showed the presence of a hyperstoichiometric existence domain for the bcc AmO 1.61+x phase and the absence of a miscibility gap in the fcc AmO 2-x phase, contrary to previous representations of the phase diagram. Finally, with the new experimental data, a new CALPHAD thermodynamic model of the Am-O system was developed, and an improved version of the phase diagram is presented.

Use of glancing angle X-ray powder diffractometry to depth-profile phase transformations during dissolution of indomethacin and theophylline tablets.

PubMed

Debnath, Smita; Predecki, Paul; Suryanarayanan, Raj

2004-01-01

The purpose of this study was (i) to develop glancing angle x-ray powder diffractometry (XRD) as a method for profiling phase transformations as a function of tablet depth; and (ii) to apply this technique to (a) study indomethacin crystallization during dissolution of partially amorphous indomethacin tablets and to (b) profile anhydrate --> hydrate transformations during dissolution of theophylline tablets. The intrinsic dissolution rates of indomethacin and theophylline were determined after different pharmaceutical processing steps. Phase transformations during dissolution were evaluated by various techniques. Transformation in the bulk and on the tablet surface was characterized by conventional XRD and scanning electron microscopy, respectively. Glancing angle XRD enabled us to profile these transformations as a function of depth from the tablet surface. Pharmaceutical processing resulted in a decrease in crystallinity of both indomethacin and theophylline. When placed in contact with the dissolution medium, while indomethacin recrystallized, theophylline anhydrate rapidly converted to theophylline monohydrate. Due to intimate contact with the dissolution medium, drug transformation occurred to a greater extent at or near the tablet surface. Glancing angle XRD enabled us to depth profile the extent of phase transformations as a function of the distance from the tablet surface. The processed sample (both indomethacin and theophylline) transformed more rapidly than did the corresponding unprocessed drug. Several challenges associated with the glancing angle technique, that is, the effects of sorbed water, phase transformations during the experimental timescale, and the influence of phase transformation on penetration depth, were addressed. Increased solubility, and consequently dissolution rate, is one of the potential advantages of metastable phases. This advantage is negated if, during dissolution, the metastable to stable transformation rate > dissolution rate

Modeling Structure and Dynamics of Protein Complexes with SAXS Profiles

PubMed Central

Schneidman-Duhovny, Dina; Hammel, Michal

2018-01-01

Small-angle X-ray scattering (SAXS) is an increasingly common and useful technique for structural characterization of molecules in solution. A SAXS experiment determines the scattering intensity of a molecule as a function of spatial frequency, termed SAXS profile. SAXS profiles can be utilized in a variety of molecular modeling applications, such as comparing solution and crystal structures, structural characterization of flexible proteins, assembly of multi-protein complexes, and modeling of missing regions in the high-resolution structure. Here, we describe protocols for modeling atomic structures based on SAXS profiles. The first protocol is for comparing solution and crystal structures including modeling of missing regions and determination of the oligomeric state. The second protocol performs multi-state modeling by finding a set of conformations and their weights that fit the SAXS profile starting from a single-input structure. The third protocol is for protein-protein docking based on the SAXS profile of the complex. We describe the underlying software, followed by demonstrating their application on interleukin 33 (IL33) with its primary receptor ST2 and DNA ligase IV-XRCC4 complex. PMID:29605933

Models for estimating photosynthesis parameters from in situ production profiles

NASA Astrophysics Data System (ADS)

Kovač, Žarko; Platt, Trevor; Sathyendranath, Shubha; Antunović, Suzana

2017-12-01

The rate of carbon assimilation in phytoplankton primary production models is mathematically prescribed with photosynthesis irradiance functions, which convert a light flux (energy) into a material flux (carbon). Information on this rate is contained in photosynthesis parameters: the initial slope and the assimilation number. The exactness of parameter values is crucial for precise calculation of primary production. Here we use a model of the daily production profile based on a suite of photosynthesis irradiance functions and extract photosynthesis parameters from in situ measured daily production profiles at the Hawaii Ocean Time-series station Aloha. For each function we recover parameter values, establish parameter distributions and quantify model skill. We observe that the choice of the photosynthesis irradiance function to estimate the photosynthesis parameters affects the magnitudes of parameter values as recovered from in situ profiles. We also tackle the problem of parameter exchange amongst the models and the effect it has on model performance. All models displayed little or no bias prior to parameter exchange, but significant bias following parameter exchange. The best model performance resulted from using optimal parameter values. Model formulation was extended further by accounting for spectral effects and deriving a spectral analytical solution for the daily production profile. The daily production profile was also formulated with time dependent growing biomass governed by a growth equation. The work on parameter recovery was further extended by exploring how to extract photosynthesis parameters from information on watercolumn production. It was demonstrated how to estimate parameter values based on a linearization of the full analytical solution for normalized watercolumn production and from the solution itself, without linearization. The paper complements previous works on photosynthesis irradiance models by analysing the skill and consistency of

Transmission X-ray Diffraction (XRD) Patterns Relevant to the MSL Chemin Amorphous Component: Sulfates And Silicates

NASA Technical Reports Server (NTRS)

Morris, R. V.; Rampe, E. B.; Graff, T. G.; Archer, P. D., Jr.; Le, L.; Ming, D. W.; Sutter, B.

2015-01-01

The Mars Science Laboratory (MSL) CheMin instrument on the Curiosity rover is a transmission X-ray diffractometer (Co-Kalpha radiation source and a approx.5deg to approx.52deg 2theta range) where the analyzed powder samples are constrained to have discrete particle diameters <150 microns by a sieve. To date, diffraction patterns have been obtained for one basaltic soil (Rocknest (RN)) and four drill fines of coherent rock (John Klein (JK), Cumberland (CB), Windjana (WJ), and Confidence Hills (CH)). The CheMin instrument has detected and quantified the abundance of both primary igneous (e.g., feldspar, olivine, and pyroxene) and secondary (e.g., Ca-sulfates, hematite, akaganeite, and Fe-saponite) minerals. The diffraction patterns of all CheMin samples are also characterized by a broad diffraction band centered near 30deg 2theta and by increasing diffraction intensity (scattering continuum) from approx.15deg to approx.5deg, the 2theta minimum. Both the broad band and the scattering continuum are attributed to the presence of an XRD amorphous component. Estimates of amorphous component abundance, based on the XRD data itself and on mass-balance calculations using APXS data crystalline component chemistry derived from XRD data, martian meteorites, and/or stoichiometry [e.g., 6-9], range from approx.20 wt.% to approx.50 wt.% of bulk sample. The APXSbased calculations show that the amorphous component is rich in volatile elements (esp. SO3) and is not simply primary basaltic glass, which was used as a surrogate to model the broad band in the RN CheMin pattern. For RN, the entire volatile inventory (except minor anhydrite) is assigned to the amorphous component because no volatile-bearing crystalline phases were reported within detection limits [2]. For JK and CB, Fesaponite, basanite, and akaganeite are volatile-bearing crystalline components. Here we report transmission XRD patterns for sulfate and silicate phases relevant to interpretation of MSL-CheMin XRD amorphous

Study the oxidation kinetics of uranium using XRD and Rietveld method

NASA Astrophysics Data System (ADS)

Zhang, Yanzhi; Guan, Weijun; Wang, Qinguo; Wang, Xiaolin; Lai, Xinchun; Shuai, Maobing

2010-03-01

The surface oxidation of uranium metal has been studied by X-ray diffraction (XRD) and Rietveld method in the range of 50~300°C in air. The oxidation processes are analyzed by XRD to determine the extent of surface oxidation and the oxide structure. The dynamics expression for the formation of UO2 was derived. At the beginning, the dynamic expression was nonlinear, but switched to linear subsequently for uranium in air and humid oxygen. That is, the growth kinetics of UO2 can be divided into two stages: nonlinear portion and linear portion. Using the kinetic data of linear portion, the activation energy of reaction between uranium and air was calculated about 46.0 kJ/mol. However the content of oxide as a function of time was linear in humid helium ambience. Contrast the dynamics results, it prove that the absence of oxygen would accelerate the corrosion rate of uranium in the humid gas. We can find that the XRD and Rietveld method are a useful convenient method to estimate the kinetics and thermodynamics of solid-gas reaction.

Vector wind profile gust model

NASA Technical Reports Server (NTRS)

Adelfang, S. I.

1979-01-01

Work towards establishing a vector wind profile gust model for the Space Transportation System flight operations and trade studies is reported. To date, all the statistical and computational techniques required were established and partially implemented. An analysis of wind profile gust at Cape Kennedy within the theoretical framework is presented. The variability of theoretical and observed gust magnitude with filter type, altitude, and season is described. Various examples are presented which illustrate agreement between theoretical and observed gust percentiles. The preliminary analysis of the gust data indicates a strong variability with altitude, season, and wavelength regime. An extension of the analyses to include conditional distributions of gust magnitude given gust length, distributions of gust modulus, and phase differences between gust components has begun.

Modelling baryonic effects on galaxy cluster mass profiles

NASA Astrophysics Data System (ADS)

Shirasaki, Masato; Lau, Erwin T.; Nagai, Daisuke

2018-06-01

Gravitational lensing is a powerful probe of the mass distribution of galaxy clusters and cosmology. However, accurate measurements of the cluster mass profiles are limited by uncertainties in cluster astrophysics. In this work, we present a physically motivated model of baryonic effects on the cluster mass profiles, which self-consistently takes into account the impact of baryons on the concentration as well as mass accretion histories of galaxy clusters. We calibrate this model using the Omega500 hydrodynamical cosmological simulations of galaxy clusters with varying baryonic physics. Our model will enable us to simultaneously constrain cluster mass, concentration, and cosmological parameters using stacked weak lensing measurements from upcoming optical cluster surveys.

Trends in stratospheric ozone profiles using functional mixed models

NASA Astrophysics Data System (ADS)

Park, A.; Guillas, S.; Petropavlovskikh, I.

2013-11-01

This paper is devoted to the modeling of altitude-dependent patterns of ozone variations over time. Umkehr ozone profiles (quarter of Umkehr layer) from 1978 to 2011 are investigated at two locations: Boulder (USA) and Arosa (Switzerland). The study consists of two statistical stages. First we approximate ozone profiles employing an appropriate basis. To capture primary modes of ozone variations without losing essential information, a functional principal component analysis is performed. It penalizes roughness of the function and smooths excessive variations in the shape of the ozone profiles. As a result, data-driven basis functions (empirical basis functions) are obtained. The coefficients (principal component scores) corresponding to the empirical basis functions represent dominant temporal evolution in the shape of ozone profiles. We use those time series coefficients in the second statistical step to reveal the important sources of the patterns and variations in the profiles. We estimate the effects of covariates - month, year (trend), quasi-biennial oscillation, the solar cycle, the Arctic oscillation, the El Niño/Southern Oscillation cycle and the Eliassen-Palm flux - on the principal component scores of ozone profiles using additive mixed effects models. The effects are represented as smooth functions and the smooth functions are estimated by penalized regression splines. We also impose a heteroscedastic error structure that reflects the observed seasonality in the errors. The more complex error structure enables us to provide more accurate estimates of influences and trends, together with enhanced uncertainty quantification. Also, we are able to capture fine variations in the time evolution of the profiles, such as the semi-annual oscillation. We conclude by showing the trends by altitude over Boulder and Arosa, as well as for total column ozone. There are great variations in the trends across altitudes, which highlights the benefits of modeling ozone

High resolution HH-XRF scanning and XRD modelling as a tool in sedimentological analysis - A case study from the Enreca-3 core, Bach Long Vi Island, Vietnam

NASA Astrophysics Data System (ADS)

Rizzi, Malgorzata; Hemmingsen Schovsbo, Niels; Korte, Christoph; Bryld Wessel Fyhn, Michael

2017-04-01

To improve the understanding and interpretation of the depositional environment of a late Oligocene lacustrine organic rich oil-prone source rock succession, 2464 hand held (HH)-XRF measurements were made systematically on the 500 m long, continuous core from the fully cored Enreca-3 well. This core, drilled on the remote Bach Long Vi Island, northern Gulf of Tonkin, offshore Vietnam, represents a deep lake succession alternating between lacustrine pelagic dominated sediments interrupted by hyperpycnal turbidites, high density turbidites and debris flows [1, 2]. From a combined HH-XRF-XRD data set, multivariate data analysis and regression models are used to type the rock and to predict the XRD mineral composition based on HH-XRF composition. The rock types and the modelled mineral composition highlight the geochemical variations of the sediment and allows for direct comparison with sedimentological processes and facies changes. The modeling also depicts the cyclic alteration of rock types that are present on many different scales ranging from centimeters to hundreds of meters [1, 2]. The sedimentological and geochemical variations observed throughout the cored section reflects fluctuating paleoclimate, tectonism and hinterland condition controlling the depositional setting, which may provide a deeper understanding of the deposition of this and similar Paleogene syn-rift succession in the South China Sea region. It allows furthermore the development of a more generalized depositional model relevant for other deep-lacustrine syn-rift basins. [1] Petersen et al. (2014) Journal of Petroleum Geology, 37: 373-389. [2] Hovikoski et al. (2016) Journal of Sedimentary Research, 86(8): 982-1007.

Towards a Ubiquitous User Model for Profile Sharing and Reuse

PubMed Central

de Lourdes Martinez-Villaseñor, Maria; Gonzalez-Mendoza, Miguel; Hernandez-Gress, Neil

2012-01-01

People interact with systems and applications through several devices and are willing to share information about preferences, interests and characteristics. Social networking profiles, data from advanced sensors attached to personal gadgets, and semantic web technologies such as FOAF and microformats are valuable sources of personal information that could provide a fair understanding of the user, but profile information is scattered over different user models. Some researchers in the ubiquitous user modeling community envision the need to share user model's information from heterogeneous sources. In this paper, we address the syntactic and semantic heterogeneity of user models in order to enable user modeling interoperability. We present a dynamic user profile structure based in Simple Knowledge Organization for the Web (SKOS) to provide knowledge representation for ubiquitous user model. We propose a two-tier matching strategy for concept schemas alignment to enable user modeling interoperability. Our proposal is proved in the application scenario of sharing and reusing data in order to deal with overweight and obesity. PMID:23201995

Modelling chemical depletion profiles in regolith

USGS Publications Warehouse

Brantley, S.L.; Bandstra, J.; Moore, J.; White, A.F.

2008-01-01

Chemical or mineralogical profiles in regolith display reaction fronts that document depletion of leachable elements or minerals. A generalized equation employing lumped parameters was derived to model such ubiquitously observed patterns:C = frac(C0, frac(C0 - Cx = 0, Cx = 0) exp (??ini ?? over(k, ??) ?? x) + 1)Here C, Cx = 0, and Co are the concentrations of an element at a given depth x, at the top of the reaction front, or in parent respectively. ??ini is the roughness of the dissolving mineral in the parent and k???? is a lumped kinetic parameter. This kinetic parameter is an inverse function of the porefluid advective velocity and a direct function of the dissolution rate constant times mineral surface area per unit volume regolith. This model equation fits profiles of concentration versus depth for albite in seven weathering systems and is consistent with the interpretation that the surface area (m2 mineral m- 3 bulk regolith) varies linearly with the concentration of the dissolving mineral across the front. Dissolution rate constants can be calculated from the lumped fit parameters for these profiles using observed values of weathering advance rate, the proton driving force, the geometric surface area per unit volume regolith and parent concentration of albite. These calculated values of the dissolution rate constant compare favorably to literature values. The model equation, useful for reaction fronts in both steady-state erosional and quasi-stationary non-erosional systems, incorporates the variation of reaction affinity using pH as a master variable. Use of this model equation to fit depletion fronts for soils highlights the importance of buffering of pH in the soil system. Furthermore, the equation should allow better understanding of the effects of important environmental variables on weathering rates. ?? 2008.

Quantitative XRD analysis of {110} twin density in biotic aragonites.

PubMed

Suzuki, Michio; Kim, Hyejin; Mukai, Hiroki; Nagasawa, Hiromichi; Kogure, Toshihiro

2012-12-01

{110} Twin densities in biotic aragonite have been estimated quantitatively from the peak widths of specific reflections in powder X-ray diffraction (XRD) patterns, as well as direct confirmation of the twins using transmission electron microscopy (TEM). Influence of the twin density on the peak widths in the XRD pattern was simulated using DIFFaX program, regarding (110) twin as interstratification of two types of aragonite unit layers with mirrored relationship. The simulation suggested that the twin density can be estimated from the difference of the peak widths between 111 and 021, or between 221 and 211 reflections. Biotic aragonite in the crossed-lamellar microstructure (three species) and nacreous microstructure (four species) of molluscan shells, fish otoliths (two species), and a coral were investigated. The XRD analyses indicated that aragonite crystals in the crossed-lamellar microstructure of the three species contain high density of the twins, which is consistent with the TEM examination. On the other hand, aragonite in the nacre of the four species showed almost no difference of the peak widths between the paired reflections, indicating low twin densities. The results for the fish otoliths were varied between the species. Such variation of the twin density in biotic aragonites may reflect different schemes of crystal growth in biomineralization. Copyright © 2012 Elsevier Inc. All rights reserved.

Generating Variable Wind Profiles and Modeling Their Effects on Small-Arms Trajectories

DTIC Science & Technology

2016-04-01

ARL-TR-7642 ● APR 2016 US Army Research Laboratory Generating Variable Wind Profiles and Modeling Their Effects on Small-Arms... Wind Profiles and Modeling Their Effects on Small-Arms Trajectories by Timothy A Fargus Weapons and Materials Research Directorate, ARL...Generating Variable Wind Profiles and Modeling Their Effects on Small-Arms Trajectories 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM

Planetary gear profile modification design based on load sharing modelling

NASA Astrophysics Data System (ADS)

Iglesias, Miguel; Fernández Del Rincón, Alfonso; De-Juan, Ana Magdalena; Garcia, Pablo; Diez, Alberto; Viadero, Fernando

2015-07-01

In order to satisfy the increasing demand on high performance planetary transmissions, an important line of research is focused on the understanding of some of the underlying phenomena involved in this mechanical system. Through the development of models capable of reproduce the system behavior, research in this area contributes to improve gear transmission insight, helping developing better maintenance practices and more efficient design processes. A planetary gear model used for the design of profile modifications ratio based on the levelling of the load sharing ratio is presented. The gear profile geometry definition, following a vectorial approach that mimics the real cutting process of gears, is thoroughly described. Teeth undercutting and hypotrochoid definition are implicitly considered, and a procedure for the incorporation of a rounding arc at the tooth tip in order to deal with corner contacts is described. A procedure for the modeling of profile deviations is presented, which can be used for the introduction of both manufacturing errors and designed profile modifications. An easy and flexible implementation of the profile deviation within the planetary model is accomplished based on the geometric overlapping. The contact force calculation and dynamic implementation used in the model are also introduced, and parameters from a real transmission for agricultural applications are presented for the application example. A set of reliefs is designed based on the levelling of the load sharing ratio for the example transmission, and finally some other important dynamic factors of the transmission are analyzed to assess the changes in the dynamic behavior with respect to the non-modified case. Thus, the main innovative aspect of the proposed planetary transmission model is the capacity of providing a simulated load sharing ratio which serves as design variable for the calculation of the tooth profile modifications.

[Study of the phase transformation of TiO2 with in-situ XRD in different gas].

PubMed

Ma, Li-Jing; Guo, Lie-Jin

2011-04-01

TiO2 sample was prepared by sol-gel method from chloride titanium. The phase transformation of the prepared TiO2 sample was studied by in-situ XRD and normal XRD in different gas. The experimental results showed that the phase transformation temperatures of TiO2 were different under in-situ or normal XRD in different kinds of gas. The transformation of amorphous TiO2 to anatase was controlled by kinetics before 500 degrees C. In-situ XRD showed that the growth of anatase was inhibited, but the transformation of anatase to rutile was accelerated under inactive nitrogen in contrast to air. Also better crystal was obtained under hydrogen than in argon. These all showed that external oxygen might accelerate the growth of TiO2, but reduced gas might partly counteract the negative influence of lack of external oxygen. The mechanism of phase transformation of TiO2 was studied by in-situ XRD in order to control the structure in situ.

Piecewise multivariate modelling of sequential metabolic profiling data.

PubMed

Rantalainen, Mattias; Cloarec, Olivier; Ebbels, Timothy M D; Lundstedt, Torbjörn; Nicholson, Jeremy K; Holmes, Elaine; Trygg, Johan

2008-02-19

Modelling the time-related behaviour of biological systems is essential for understanding their dynamic responses to perturbations. In metabolic profiling studies, the sampling rate and number of sampling points are often restricted due to experimental and biological constraints. A supervised multivariate modelling approach with the objective to model the time-related variation in the data for short and sparsely sampled time-series is described. A set of piecewise Orthogonal Projections to Latent Structures (OPLS) models are estimated, describing changes between successive time points. The individual OPLS models are linear, but the piecewise combination of several models accommodates modelling and prediction of changes which are non-linear with respect to the time course. We demonstrate the method on both simulated and metabolic profiling data, illustrating how time related changes are successfully modelled and predicted. The proposed method is effective for modelling and prediction of short and multivariate time series data. A key advantage of the method is model transparency, allowing easy interpretation of time-related variation in the data. The method provides a competitive complement to commonly applied multivariate methods such as OPLS and Principal Component Analysis (PCA) for modelling and analysis of short time-series data.

Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan Medicine Zuotai Containing Mercury

PubMed Central

Li, Cen; Yang, Hongxia; Xiao, Yuancan; Zhandui; Sanglao; Wang, Zhang; Ladan, Duojie; Bi, Hongtao

2016-01-01

Zuotai (gTso thal) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nine Zuotai samples from different regions, respectively; the XRD fingerprint features of Zuotai were analyzed by multivariate statistical analysis. EDX result shows that Zuotai contains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest that Zuotai is a kind of ancient nanodrug. Its particles are mainly in the range of 100–800 nm, which commonly further aggregate into 1–30 μm loosely amorphous particles. XRD test shows that β-HgS, S8, and α-HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics of Zuotai, and it would play a positive role in interpreting this mysterious Tibetan drug. PMID:27738409

Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan Medicine Zuotai Containing Mercury.

PubMed

Li, Cen; Yang, Hongxia; Du, Yuzhi; Xiao, Yuancan; Zhandui; Sanglao; Wang, Zhang; Ladan, Duojie; Bi, Hongtao; Wei, Lixin

2016-01-01

Zuotai ( gTso thal ) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nine Zuotai samples from different regions, respectively; the XRD fingerprint features of Zuotai were analyzed by multivariate statistical analysis. EDX result shows that Zuotai contains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest that Zuotai is a kind of ancient nanodrug. Its particles are mainly in the range of 100-800 nm, which commonly further aggregate into 1-30  μ m loosely amorphous particles. XRD test shows that β -HgS, S 8 , and α -HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics of Zuotai , and it would play a positive role in interpreting this mysterious Tibetan drug.

Trends in stratospheric ozone profiles using functional mixed models

NASA Astrophysics Data System (ADS)

Park, A. Y.; Guillas, S.; Petropavlovskikh, I.

2013-05-01

This paper is devoted to the modeling of altitude-dependent patterns of ozone variations over time. Umkher ozone profiles (quarter of Umkehr layer) from 1978 to 2011 are investigated at two locations: Boulder (USA) and Arosa (Switzerland). The study consists of two statistical stages. First we approximate ozone profiles employing an appropriate basis. To capture primary modes of ozone variations without losing essential information, a functional principal component analysis is performed as it penalizes roughness of the function and smooths excessive variations in the shape of the ozone profiles. As a result, data driven basis functions are obtained. Secondly we estimate the effects of covariates - month, year (trend), quasi biennial oscillation, the Solar cycle, arctic oscillation and the El Niño/Southern Oscillation cycle - on the principal component scores of ozone profiles over time using generalized additive models. The effects are smooth functions of the covariates, and are represented by knot-based regression cubic splines. Finally we employ generalized additive mixed effects models incorporating a more complex error structure that reflects the observed seasonality in the data. The analysis provides more accurate estimates of influences and trends, together with enhanced uncertainty quantification. We are able to capture fine variations in the time evolution of the profiles such as the semi-annual oscillation. We conclude by showing the trends by altitude over Boulder. The strongly declining trends over 2003-2011 for altitudes of 32-64 hPa show that stratospheric ozone is not yet fully recovering.

Matching 4.7-Å XRD spacing in amelogenin nanoribbons and enamel matrix.

PubMed

Sanii, B; Martinez-Avila, O; Simpliciano, C; Zuckermann, R N; Habelitz, S

2014-09-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. © International & American Associations for Dental Research.

Matching 4.7-Å XRD Spacing in Amelogenin Nanoribbons and Enamel Matrix

PubMed Central

Sanii, B.; Martinez-Avila, O.; Simpliciano, C.; Zuckermann, R.N.; Habelitz, S.

2014-01-01

The recent discovery of conditions that induce nanoribbon structures of amelogenin protein in vitro raises questions about their role in enamel formation. Nanoribbons of recombinant human full-length amelogenin (rH174) are about 17 nm wide and self-align into parallel bundles; thus, they could act as templates for crystallization of nanofibrous apatite comprising dental enamel. Here we analyzed the secondary structures of nanoribbon amelogenin by x-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) and tested if the structural motif matches previous data on the organic matrix of enamel. XRD analysis showed that a peak corresponding to 4.7 Å is present in nanoribbons of amelogenin. In addition, FTIR analysis showed that amelogenin in the form of nanoribbons was comprised of β-sheets by up to 75%, while amelogenin nanospheres had predominantly random-coil structure. The observation of a 4.7-Å XRD spacing confirms the presence of β-sheets and illustrates structural parallels between the in vitro assemblies and structural motifs in developing enamel. PMID:25048248

Further Examining Berry's Model: The Applicability of Latent Profile Analysis to Acculturation

ERIC Educational Resources Information Center

Fox, Rina S.; Merz, Erin L.; Solórzano, Martha T.; Roesch, Scott C.

2013-01-01

This study used latent profile analysis (LPA) to identify acculturation profiles. A three-profile solution fit the data best, and comparisons on demographic and psychosocial outcomes as a function of profile yielded expected results. The findings support using LPA as a parsimonious way to model acculturation without anticipating profiles in…

Correlations of Apparent Cellulose Crystallinity Determined by XRD, NMR, IR, Raman, and SFG Methods

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

Johnson, David K; Lee, Christopher; Dazen, Kevin

2015-07-04

Although the cellulose crystallinity index (CI) is used widely, its limitations have not been adequately described. In this study, the CI values of a set of reference samples were determined from X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and infrared (IR), Raman, and vibrational sum frequency generation (SFG) spectroscopies. The intensities of certain crystalline peaks in IR, Raman, and SFG spectra positively correlated with the amount of crystalline cellulose in the sample, but the correlation with XRD was nonlinear as a result of fundamental differences in detection sensitivity to crystalline cellulose and improper baseline corrections for amorphous contributions. It ismore » demonstrated that the intensity and shape of the XRD signal is affected by both the amount of crystalline cellulose and crystal size, which makes XRD analysis complicated. It is clear that the methods investigated show the same qualitative trends for samples, but the absolute CI values differ depending on the determination method. This clearly indicates that the CI, as estimated by different methods, is not an absolute value and that for a given set of samples the CI values can be compared only as a qualitative measure.« less

Correlations of Apparent Cellulose Crystallinity Determined by XRD, NMR, IR, Raman, and SFG Methods

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

Lee, Christopher M; Dazen, Kevin; Kafle, Kabindra

2015-01-01

Although the cellulose crystallinity index (CI) is used widely, its limitations have not been adequately described. In this study, the CI values of a set of reference samples were determined from X-ray diffraction (XRD), nuclear magnetic resonance (NMR), and infrared (IR), Raman, and vibrational sum frequency generation (SFG) spectroscopies. The intensities of certain crystalline peaks in IR, Raman, and SFG spectra positively correlated with the amount of crystalline cellulose in the sample, but the correlation with XRD was nonlinear as a result of fundamental differences in detection sensitivity to crystalline cellulose and improper baseline corrections for amorphous contributions. It ismore » demonstrated that the intensity and shape of the XRD signal is affected by both the amount of crystalline cellulose and crystal size, which makes XRD analysis complicated. It is clear that the methods investigated show the same qualitative trends for samples, but the absolute CI values differ depending on the determination method. This clearly indicates that the CI, as estimated by different methods, is not an absolute value and that for a given set of samples the CI values can be compared only as a qualitative measure.« less

Response Time Measurements of the NIF DANTE XRD-31 X-Ray Diodes (Pre-print)

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

Don Pellinen and Michael Griffin

2009-01-23

The XRD-31 is a fast, windowless X-ray vacuum photodiode developed by EG&G. It is currently the primary fast X-ray detector used to diagnose the X-rays on NIF and OMEGA on the multichannel DANTE spectrometer. The XRD-31 has a dynamic range of less than 1e-12 amps to more than 10 amps. A technique is described to measure the impulse response of the diodes to a 150 fs pulse of 200 nm laser light and a method to calculate the “risetime” for a square pulse and compare it with the computed electron transit time from the photocathode to the anode. Measured responsemore » time for 5 XRD-31s assembled in early 2004 was 149.7 ps +-2.75 ps.« less

Testing Two Nutrient Profiling Models of Labelled Foods and Beverages Marketed in Turkey.

PubMed

Dikmen, Derya; Kızıl, Mevlüde; Uyar, Muhemmet Fatih; Pekcan, Gülden

2015-06-01

The objective of this study was to evaluate the nutrient profile of labelled foods and also understand the application of two international nutrient profiling models of labelled foods and beverages. WXYfm and NRF 9.3 nutrient profiling models were used to evaluate 3,171 labelled foods and beverages of 38 food categories and 500 different brands. According to the WXYfm model, pasta, grains and legumes and frozen foods had the best scores whereas oils had the worst scores. According to the NRF 9.3 model per 100 kcal, the best scores were obtained for frozen foods, grains and legumes and milk products whereas the confectionery foods had the worst scores. According to NRF 9.3 per serving size, grains and legumes had the best scores and flavoured milks had the worst scores. A comparison of WXYfm and NRF 9.3 nutrient profiling models ranked scores showed a high positive correlation (p=0.01). The two nutrient models evaluated yielded similar results. Further studies are needed to test other category specific nutrient profiling models in order to understand how different models behave. Copyright© by the National Institute of Public Health, Prague 2015.

Modeling T-cell activation using gene expression profiling and state-space models.

PubMed

Rangel, Claudia; Angus, John; Ghahramani, Zoubin; Lioumi, Maria; Sotheran, Elizabeth; Gaiba, Alessia; Wild, David L; Falciani, Francesco

2004-06-12

We have used state-space models to reverse engineer transcriptional networks from highly replicated gene expression profiling time series data obtained from a well-established model of T-cell activation. State space models are a class of dynamic Bayesian networks that assume that the observed measurements depend on some hidden state variables that evolve according to Markovian dynamics. These hidden variables can capture effects that cannot be measured in a gene expression profiling experiment, e.g. genes that have not been included in the microarray, levels of regulatory proteins, the effects of messenger RNA and protein degradation, etc. Bootstrap confidence intervals are developed for parameters representing 'gene-gene' interactions over time. Our models represent the dynamics of T-cell activation and provide a methodology for the development of rational and experimentally testable hypotheses. Supplementary data and Matlab computer source code will be made available on the web at the URL given below. http://public.kgi.edu/~wild/LDS/index.htm

Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Chipera, S. J.; Vaniman, D. T.; Bish, D. L.; Sarrazin, P.; Feldman, S.; Blake, D. F.; Bearman, G.; Bar-Cohen, Y.

2004-01-01

A miniature XRD/XRF (X-ray diffraction / X-ray fluorescence) instrument, CHEMIN, is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed to enable remote XRD analysis is how best to obtain a representative sample powder for analysis. For powder XRD analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a two-dimensional detector as used in the CHEMIN instrument will produce good results even with poorly prepared powder, the quality of the data will improve and the time required for data collection will be reduced if the sample is fine-grained and randomly oriented. A variety of methods have been proposed for XRD sample preparation. Chipera et al. presented grain size distributions and XRD results from powders generated with an Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL. The USDC was shown to be an effective instrument for sampling rock to produce powder suitable for XRD. In this paper, we compare powder prepared using the USDC with powder obtained with a miniaturized rock crusher developed at JPL and with powder obtained with a rotary tungsten carbide bit to powders obtained from a laboratory bench-scale Retsch mill (provides benchmark mineralogical data). These comparisons will allow assessment of the suitability of these methods for analysis by an XRD/XRF instrument such as CHEMIN.

Accelerating Information Retrieval from Profile Hidden Markov Model Databases.

PubMed

Tamimi, Ahmad; Ashhab, Yaqoub; Tamimi, Hashem

2016-01-01

Profile Hidden Markov Model (Profile-HMM) is an efficient statistical approach to represent protein families. Currently, several databases maintain valuable protein sequence information as profile-HMMs. There is an increasing interest to improve the efficiency of searching Profile-HMM databases to detect sequence-profile or profile-profile homology. However, most efforts to enhance searching efficiency have been focusing on improving the alignment algorithms. Although the performance of these algorithms is fairly acceptable, the growing size of these databases, as well as the increasing demand for using batch query searching approach, are strong motivations that call for further enhancement of information retrieval from profile-HMM databases. This work presents a heuristic method to accelerate the current profile-HMM homology searching approaches. The method works by cluster-based remodeling of the database to reduce the search space, rather than focusing on the alignment algorithms. Using different clustering techniques, 4284 TIGRFAMs profiles were clustered based on their similarities. A representative for each cluster was assigned. To enhance sensitivity, we proposed an extended step that allows overlapping among clusters. A validation benchmark of 6000 randomly selected protein sequences was used to query the clustered profiles. To evaluate the efficiency of our approach, speed and recall values were measured and compared with the sequential search approach. Using hierarchical, k-means, and connected component clustering techniques followed by the extended overlapping step, we obtained an average reduction in time of 41%, and an average recall of 96%. Our results demonstrate that representation of profile-HMMs using a clustering-based approach can significantly accelerate data retrieval from profile-HMM databases.

Development of a wear model for the wheel profile optimisation on railway vehicles

NASA Astrophysics Data System (ADS)

Ignesti, M.; Innocenti, A.; Marini, L.; Meli, E.; Rindi, A.

2013-09-01

The modelling and the reduction of wear due to wheel-rail interaction is a fundamental aspect in the railway field, mainly correlated to safety, maintenance interventions and costs. In this work, the authors present two innovative wheel profiles, specifically designed with the aim of improving the wear and stability behaviour of the standard ORE S1002 wheel profile matched with the UIC60 rail profile canted at 1/20 rad, which represents the wheel-rail combination adopted in the Italian railway line. The two wheel profiles, conventionally named CD1 and DR2, have been developed by the authors in collaboration with Trenitalia S.p.A. The CD1 profile has been designed with the purpose of spreading the contact points in the flange zone on a larger area in order to reduce wear phenomena and having a constant equivalent conicity for small lateral displacements of the wheelset with respect to the centred position in the track. The DR2 wheel profile is instead designed to guarantee the same kinematic characteristics of the matching formed by ORE S1002 wheel profile and UIC60 rail profile with laying angle α p equal to 1/40 rad, widely common in European railways and characterised by good performances in both wear and kinematic behaviour. The evolution of wheel profiles due to wear has been evaluated through a wear model developed and validated by the authors in previous works. The wear model comprises two mutually interactive units: a vehicle model for the dynamic simulations and a model for the wear assessment. The whole model is based on a discrete process: each discrete step consists in one dynamic simulation and one profile update by means of the wear model while, within the discrete step, the profiles are supposed to be constant. The choice of an appropriate step is crucial in terms of precision and computational effort: the particular strategy adopted in the current work has been chosen for its capacity in representing the nonlinear wear evolution and for the low

Definitive Mineralogical Analysis of Mars Analog Rocks Using the CheMin XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Blake, D. F.; Sarrazin, P.; Bish, D. L.; Feldman, S.; Chipera, S. J.; Vaniman, D. T.; Collins, S.

2004-01-01

Mineral identification is a critical component of Mars Astrobiological missions. Chemical or elemental data alone are not definitive because a single elemental or chemical composition or even a single bonding type can represent a range of substances or mineral assemblages. Minerals are defined as unique structural and compositional phases that occur naturally. There are about 15,000 minerals that have been described on Earth, all uniquely identifiable via diffraction methods. There are likely many minerals yet undiscovered on Earth, and likewise on Mars. If an unknown phase is identified on Mars, it can be fully characterized by structural (X-ray Diffraction, XRD) and elemental analysis (X-ray Fluorescence, XRF) without recourse to other data because XRD relies on the principles of atomic arrangement for its determinations. XRD is the principal means of identification and characterization of minerals on Earth.

Evaluating cell lines as tumour models by comparison of genomic profiles

PubMed Central

Domcke, Silvia; Sinha, Rileen; Levine, Douglas A.; Sander, Chris; Schultz, Nikolaus

2013-01-01

Cancer cell lines are frequently used as in vitro tumour models. Recent molecular profiles of hundreds of cell lines from The Cancer Cell Line Encyclopedia and thousands of tumour samples from the Cancer Genome Atlas now allow a systematic genomic comparison of cell lines and tumours. Here we analyse a panel of 47 ovarian cancer cell lines and identify those that have the highest genetic similarity to ovarian tumours. Our comparison of copy-number changes, mutations and mRNA expression profiles reveals pronounced differences in molecular profiles between commonly used ovarian cancer cell lines and high-grade serous ovarian cancer tumour samples. We identify several rarely used cell lines that more closely resemble cognate tumour profiles than commonly used cell lines, and we propose these lines as the most suitable models of ovarian cancer. Our results indicate that the gap between cell lines and tumours can be bridged by genomically informed choices of cell line models for all tumour types. PMID:23839242

On the Relation between the Linear Factor Model and the Latent Profile Model

ERIC Educational Resources Information Center

Halpin, Peter F.; Dolan, Conor V.; Grasman, Raoul P. P. P.; De Boeck, Paul

2011-01-01

The relationship between linear factor models and latent profile models is addressed within the context of maximum likelihood estimation based on the joint distribution of the manifest variables. Although the two models are well known to imply equivalent covariance decompositions, in general they do not yield equivalent estimates of the…

A Combined XRD/XRF Instrument for Lunar Resource Assessment

NASA Technical Reports Server (NTRS)

Vaniman, D. T.; Bish, D. L.; Chipera, S. J.; Blacic, J. D.

1992-01-01

Robotic surface missions to the Moon should be capable of measuring mineral as well as chemical abundances in regolith samples. Although much is already known about the lunar regolith, our data are far from comprehensive. Most of the regolith samples returned to Earth for analysis had lost the upper surface, or it was intermixed with deeper regolith. This upper surface is the part of the regolith most recently exposed to the solar wind; as such it will be important to resource assessment. In addition, it may be far easier to mine and process the uppermost few centimeters of regolith over a broad area than to engage in deep excavation of a smaller area. The most direct means of analyzing the regolith surface will be by studies in situ. In addition, the analysis of the impact-origin regolith surfaces, the Fe-rich glasses of mare pyroclastic deposits, are of resource interest, but are inadequately known; none of the extensive surface-exposed pyroclastic deposits of the Moon have been systematically sampled, although we know something about such deposits from the Apollo 17 site. Because of the potential importance of pyroclastic deposits, methods to quantify glass as well as mineral abundances will be important to resource evaluation. Combined x ray diffraction (XRD) and x ray fluorescence (XRF) analysis will address many resource characterization problems on the Moon. XRF methods are valuable for obtaining full major-element abundances with high precision. Such data, collected in parallel with quantitative mineralogy, permit unambiguous determination of both mineral and chemical abundances where concentrations are high enough to be of resource grade. Collection of both XRD and XRF data from a single sample provides simultaneous chemical and mineralogic information. These data can be used to correlate quantitative chemistry and mineralogy as a set of simultaneous linear equations, the solution of which can lead to full characterization of the sample. The use of

Spectral studies of 2-pyrazoline derivatives: structural elucidation through single crystal XRD and DFT calculations.

PubMed

Chinnaraja, D; Rajalakshmi, R; Srinivasan, T; Velmurugan, D; Jayabharathi, J

2014-04-24

A series of biologically active N-thiocarbamoyl pyrazoline derivatives have been synthesized using anhydrous potassium carbonate as the catalyst. All the synthesized compounds were characterized by FT-IR, (1)H NMR, (13)C NMR spectral studies, LCMS, CHN Analysis and X-ray diffraction analysis (compound 7). In order to supplement the XRD parameters, molecular modelling was carried out by Gaussian 03W. From the optimized structure, the energy, dipolemoment and HOMO-LUMO energies of all the systems were calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Tandem transmission/reflection mode XRD instrument including XRF for in situ measurement of Martian rocks and soils

NASA Astrophysics Data System (ADS)

Delhez, Robert; Van der Gaast, S. J.; Wielders, Arno; de Boer, J. L.; Helmholdt, R. B.; van Mechelen, J.; Reiss, C.; Woning, L.; Schenk, H.

2003-02-01

The mineralogy of the surface material of Mars is the key to disclose its present and past life and climates. Clay mineral species, carbonates, and ice (water and CO2) are and/or contain their witnesses. X-ray powder diffraction (XRPD) is the most powerful analytical method to identify and quantitatively characterize minerals in complex mixtures. This paper discusses the development of a working model of an instrument consisting of a reflection mode diffractometer and a transmission mode CCD-XRPD instrument, combined with an XRF module. The CCD-XRD/XRF instrument is analogous to the instrument for Mars missions developed by Sarrazin et al. (1998). This part of the tandem instrument enables "quick and dirty" analysis of powdered (!) matter to monitor semi-quantitatively the presence of clay minerals as a group, carbonates, and ices and yields semi-quantitative chemical information from X-ray fluorescence (XRF). The reflection mode instrument (i) enables in-situ measurements of rocks and soils and quantitative information on the compounds identified, (ii) has a high resolution and reveals large spacings for accurate identification, in particular of clay mineral species, and (iii) the shape of the line profiles observed reveals the kind and approximate amounts of lattice imperfections present. It will be shown that the information obtained with the reflection mode diffractometer is crucial for finding signs of life and changes in the climate on Mars. Obviously this instrument can also be used for other extra-terrestrial research.

Comparative investigation of Fourier transform infrared (FT-IR) spectroscopy and X-ray diffraction (XRD) in the determination of cotton fiber crystallinity.

PubMed

Liu, Yongliang; Thibodeaux, Devron; Gamble, Gary; Bauer, Philip; VanDerveer, Don

2012-08-01

Despite considerable efforts in developing curve-fitting protocols to evaluate the crystallinity index (CI) from X-ray diffraction (XRD) measurements, in its present state XRD can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous fraction in a sample. The greatest barrier to establishing quantitative XRD is the lack of appropriate cellulose standards, which are needed to calibrate the XRD measurements. In practice, samples with known CI are very difficult to prepare or determine. In a previous study, we reported the development of a simple algorithm for determining fiber crystallinity information from Fourier transform infrared (FT-IR) spectroscopy. Hence, in this study we not only compared the fiber crystallinity information between FT-IR and XRD measurements, by developing a simple XRD algorithm in place of a time-consuming and subjective curve-fitting process, but we also suggested a direct way of determining cotton cellulose CI by calibrating XRD with the use of CI(IR) as references.

Towards an Enhancement of Organizational Information Security through Threat Factor Profiling (TFP) Model

NASA Astrophysics Data System (ADS)

Sidi, Fatimah; Daud, Maslina; Ahmad, Sabariah; Zainuddin, Naqliyah; Anneisa Abdullah, Syafiqa; Jabar, Marzanah A.; Suriani Affendey, Lilly; Ishak, Iskandar; Sharef, Nurfadhlina Mohd; Zolkepli, Maslina; Nur Majdina Nordin, Fatin; Amat Sejani, Hashimah; Ramadzan Hairani, Saiful

2017-09-01

Information security has been identified by organizations as part of internal operations that need to be well implemented and protected. This is because each day the organizations face a high probability of increase of threats to their networks and services that will lead to information security issues. Thus, effective information security management is required in order to protect their information assets. Threat profiling is a method that can be used by an organization to address the security challenges. Threat profiling allows analysts to understand and organize intelligent information related to threat groups. This paper presents a comparative analysis that was conducted to study the existing threat profiling models. It was found that existing threat models were constructed based on specific objectives, thus each model is limited to only certain components or factors such as assets, threat sources, countermeasures, threat agents, threat outcomes and threat actors. It is suggested that threat profiling can be improved by the combination of components found in each existing threat profiling model/framework. The proposed model can be used by an organization in executing a proactive approach to incident management.

Line profile studies of hydrodynamical models of cometary compact H II regions

NASA Astrophysics Data System (ADS)

Zhu, Feng-Yao; Zhu, Qing-Feng

2015-06-01

We simulate the evolution of cometary H II regions based on several champagne flow models and bow shock models, and calculate the profiles of the [Ne II] fine-structure line at 12.81 μm, the H30α recombination line and the [Ne III] fine-structure line at 15.55 μm for these models at different inclinations of 0°, 30° and 60°. We find that the profiles in the bow shock models are generally different from those in the champagne flow models, but the profiles in the bow shock models with lower stellar velocity (≤ 5 km s-1) are similar to those in the champagne flow models. In champagne flow models, both the velocity of peak flux and the flux weighted central velocities of all three lines point outward from molecular clouds. In bow shock models, the directions of these velocities depend on the speed of stars. The central velocities of these lines are consistent with the stellar motion in the high stellar speed cases, but they are opposite directions from the stellar motion in the low speed cases. We notice that the line profiles from the slit along the symmetrical axis of the projected 2D image of these models are useful for distinguishing bow shock models from champagne flow models. It is also confirmed by the calculation that the flux weighted central velocity and the line luminosity of the [Ne III] line can be estimated from the [Ne II] line and the H30α line.

Evaluation of parameters of color profile models of LCD and LED screens

NASA Astrophysics Data System (ADS)

Zharinov, I. O.; Zharinov, O. O.

2017-12-01

The purpose of the research relates to the problem of parametric identification of the color profile model of LCD (liquid crystal display) and LED (light emitting diode) screens. The color profile model of a screen is based on the Grassmann’s Law of additive color mixture. Mathematically the problem is to evaluate unknown parameters (numerical coefficients) of the matrix transformation between different color spaces. Several methods of evaluation of these screen profile coefficients were developed. These methods are based either on processing of some colorimetric measurements or on processing of technical documentation data.

In-situ XRD vs ex-situ vacuum annealing of tantalum oxynitride thin films: Assessments on the structural evolution

NASA Astrophysics Data System (ADS)

Cunha, L.; Apreutesei, M.; Moura, C.; Alves, E.; Barradas, N. P.; Cristea, D.

2018-04-01

The purpose of this work is to discuss the main structural characteristics of a group of tantalum oxynitride (TaNxOy) thin films, with different compositions, prepared by magnetron sputtering, and to interpret and compare the structural changes, by X-ray diffraction (XRD), when the samples are vacuum annealed under two different conditions: i) annealing, followed by ex-situ XRD: one sample of each deposition run was annealed at a different temperature, until a maximum of 800 °C, and the XRD patterns were obtained, at room temperature, after each annealing process; ii) annealing with in-situ XRD: the diffraction patterns are obtained, at certain temperatures, during the annealing process, using always the same sample. In-situ XRD annealing could be an interesting process to perform annealing, and analysing the evolution of the structure with the temperature, when compared to the classical process. A higher structural stability was observed in some of the samples, particularly on those with highest oxygen content, but also on the sample with non-metal (O + N) to metal (Ta) ratio around 0.5.

High temperature XRD of Cu2.1Zn0.9SnSe4

NASA Astrophysics Data System (ADS)

Chetty, Raju; Mallik, Ramesh Chandra

2014-04-01

Quaternary compound with chemical composition Cu2.1Zn0.9SnSe4 is prepared by solid state synthesis. High temperature XRD (X-Ray Diffraction) of this compound is used in studying the effect of temperature on lattice parameters and thermal expansion coefficients. Thermal expansion coefficient is one of the important quantities in evaluating the Grüneisen parameter which further useful in determining the lattice thermal conductivity of the material. The high temperature XRD of the material revealed that the lattice parameters as well as thermal expansion coefficients of the material increased with increase in temperature which confirms the presence of anharmonicty.

Nonlinear Acoustic Landmine Detection: Profiling Soil Surface Vibrations and Modeling Mesoscopic Elastic Behavior

DTIC Science & Technology

2007-05-04

TITLE AND SUBTITLE Nonlinear Acoustic Landmine Detection: Profiling Soil Surface Vibrations and Modeling Mesoscopic Elastic Behavior 6. AUTHOR(S...project report; no. 352 (2007) NONLINEAR ACOUSTIC LANDMINE DETECTION: PROFILING SOIL SURFACE VIBRATIONS AND MODELING MESOSCOPIC ELASTIC... model (Caughey 1966). Nonlinear acoustic landmine detection experiments are performed in the anechoic chamber facility using both a buried acrylic

Extended Generation Profile - E.B.I.C. Model

NASA Astrophysics Data System (ADS)

Guermazi, S.; Toureille, A.; Grill, C.; El Jani, B.; Lakhoua, N.

1996-04-01

We have developed a model for the calculation of the induced current due to an electron beam with an extended profile. As well as the number of absorbed and diffuse electrons as a function of the depth, the generation profile takes into account the lateral diffusion and the effect of defects, dislocations and recombination surfaces. The expression from the Electron Beam Induced Current (EBIC) is obtained by solving the continuity equation in permanent regime by the Green function method. In the case of a Schottky diode Au/InP, obtained by ionic scattering followed by a quick thermal treatment, the induced current profile is compared to the theoretical profiles whose analytical expressions are given by Van Roosbroeck and Bresse. The experimental current profile, measured by S.E.M provided us with the calculation of the diffusion length of the minority carriers, L_n=1 μm. The theoretical curve obtained from the proposed model is in good agreement with the experimental one for a surface recombination velocity of 104 cm s^{-1}. Our results are found to be consistent with those obtained by other experimental techniques on the same samples. Nous avons développé un modèle de calcul du courant induit par un faisceau d'électrons avec un profil de génération élargi. Le profil de génération tient compte, en plus du nombre d'électrons absorbés et du nombre d'électrons diffusés en fonction de la profondeur, de la diffusion latérale (en prenant en considération la diffusion angulaire), de l'effet des défauts, des dislocations et de la recombinaison à la surface. L'expression analytique du courant induit E.B.I.C est déterminée par résolution de l'équation de continuité en régime permanent par la méthode des fonctions de Green. Le profil de courant induit obtenu dans le cas d'une diode Schottky Au/InP dopé p et fabriqué par implantation suivit d'un recuit, est comparé au profil de courant théorique dont l'expression analytique est explicité par Van

Bifactor Approach to Modeling Multidimensionality of Physical Self-Perception Profile

ERIC Educational Resources Information Center

Chung, ChihMing; Liao, Xiaolan; Song, Hairong; Lee, Taehun

2016-01-01

The multi-dimensionality of Physical Self-Perception Profile (PSPP) has been acknowledged by the use of correlated-factor model and second-order model. In this study, the authors critically endorse the bifactor model, as a substitute to address the multi-dimensionality of PSPP. To cross-validate the models, analyses are conducted first in…

Application of digital profile modeling techniques to ground-water solute transport at Barstow, California

USGS Publications Warehouse

Robson, Stanley G.

1978-01-01

This study investigated the use of a two-dimensional profile-oriented water-quality model for the simulation of head and water-quality changes through the saturated thickness of an aquifer. The profile model is able to simulate confined or unconfined aquifers with nonhomogeneous anisotropic hydraulic conductivity, nonhomogeneous specific storage and porosity, and nonuniform saturated thickness. An aquifer may be simulated under either steady or nonsteady flow conditions provided that the ground-water flow path along which the longitudinal axis of the model is oriented does not move in the aquifer during the simulation time period. The profile model parameters are more difficult to quantify than are the corresponding parameters for an areal-oriented water-fluality model. However, the sensitivity of the profile model to the parameters may be such that the normal error of parameter estimation will not preclude obtaining acceptable model results. Although the profile model has the advantage of being able to simulate vertical flow and water-quality changes in a single- or multiple-aquifer system, the types of problems to which it can be applied is limited by the requirements that (1) the ground-water flow path remain oriented along the longitudinal axis of the model and (2) any subsequent hydrologic factors to be evaluated using the model must be located along the land-surface trace of the model. Simulation of hypothetical ground-water management practices indicates that the profile model is applicable to problem-oriented studies and can provide quantitative results applicable to a variety of management practices. In particular, simulations of the movement and dissolved-solids concentration of a zone of degraded ground-water quality near Barstow, Calif., indicate that halting subsurface disposal of treated sewage effluent in conjunction with pumping a line of fully penetrating wells would be an effective means of controlling the movement of degraded ground water.

Update of aircraft profile data for the Integrated Noise Model computer program, vol. 2 : appendix A aircraft takeoff and landing profiles

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, aircraft aerodynamic performance coefficients and engine performance coefficients for the aircraft data base (Database 9) in the Integrated Noise Model (INM) computer program. Flight profile...

Non-LTE profiles of the Al I autoionization lines. [for solar model atmospheres

NASA Technical Reports Server (NTRS)

Finn, G. D.; Jefferies, J. T.

1974-01-01

A non-LTE formulation is given for the transfer of radiation in the autoionizing lines of neutral aluminum at 1932 and 1936 A through both the Bilderberg and Harvard-Smithsonian model atmospheres. Numerical solutions for the common source function of these lines and their theoretical line profiles are calculated and compared with the corresponding LTE profiles. The results show that the non-LTE profiles provide a better match with the observations. They also indicate that the continuous opacity of the standard solar models should be increased in this wavelength region if the center-limb variations of observed and theoretical profiles of these lines are to be in reasonable agreement.

Identification of a deleterious phase in photocatalyst based on Cd1 - xZnxS/Zn(OH)2 by simulated XRD patterns.

PubMed

Cherepanova, Svetlana; Markovskaya, Dina; Kozlova, Ekaterina

2017-06-01

The X-ray diffraction (XRD) pattern of a deleterious phase in the photocatalyst based on Cd 1 - x Zn x S/Zn(OH) 2 contains two relatively intense asymmetric peaks with d-spacings of 2.72 and 1.56 Å. Very small diffraction peaks with interplanar distances of (d) ≃ 8.01, 5.40, 4.09, 3.15, 2.49 and 1.35 Å are characteristic of this phase but not always observed. To identify this phase, the XRD patterns for sheet-like hydroxide β-Zn(OH) 2 and sheet-like hydrozincite Zn 5 (CO 3 ) 2 (OH) 6 as well as for turbostratic hydrozincite were simulated. It is shown that the XRD pattern calculated on the basis of the last model gives the best correspondence with experimental data. Distances between layers in the turbostratically disordered hydrozincite fluctuate around d ≃ 8.01 Å. This average layer-to-layer distance is significantly higher than the interlayer distance 6.77 Å in the ordered Zn 5 (CO 3 ) 2 (OH) 6 probably due to a deficiency of CO 3 2- anions, excess OH - and the presence of water molecules in the interlayers. It is shown by variable-temperature XRD and thermogravimetric analysis (TGA) that the nanocrystalline turbostratic nonstoichiometric hydrozincite-like phase is quite thermostable. It decomposes into ZnO in air above 473 K.

Synchronizing flash-melting in a diamond cell with synchrotron X ray diffraction (XRD)

NASA Astrophysics Data System (ADS)

Karandikar, Amol; Boehler, Reinhard; Meng, Yue; Rod, Eric; Shen, Guoyin

2013-06-01

The major challenges in measuring melting temperatures in laser heated diamond cells are sample instability, thermal runaway and chemical reactions. To circumvent these problems, we developed a ``flash heating'' method using a modulated CW fiber laser and fast X ray detection capability at APS (Pilatus 1M detector). As an example, Pt spheres of 5 micron diameter were loaded in a single crystal sapphire encapsulation in the diamond cell at 65 GPa and heated in a single flash heating event for 20 ms to reach a desired temperature. A CCD spectrometer and the Pilatus were synchronized to measure the temperature and the XRD signal, respectively, when the sample reached the thermal steady state. Each successive flash heating was done at a higher temperature. The integrated XRD pattern, collected during and after (300 K) each heating, showed no chemical reaction up to 3639 K, the highest temperature reached in the experiment. Pt111 and 200 peak intensity variation showed gradual recrystalization and complete diminishing at about 3600 K, indicating melting. Thus, synchronized flash heating with novel sample encapsulation circumvents previous notorious problems and enables accurate melting temperature measurement in the diamond cell using synchrotron XRD probe. Affiliation 2: Geowissenschaeften, Goethe-Universitaet, Altenhoeferallee 1, D-60438 Frankfurt a.M., Germany.

A Mathematical Model for the Exhaust Gas Temperature Profile of a Diesel Engine

NASA Astrophysics Data System (ADS)

Brito, C. H. G.; Maia, C. B.; Sodré, J. R.

2015-09-01

This work presents a heat transfer model for the exhaust gas of a diesel power generator to determine the gas temperature profile in the exhaust pipe. The numerical methodology to solve the mathematical model was developed using a finite difference method approach for energy equation resolution and determination of temperature profiles considering turbulent fluid flow and variable fluid properties. The simulation was carried out for engine operation under loads from 0 kW to 40 kW. The model was compared with results obtained using the multidimensional Ansys CFX software, which was applied to solve the governor equations of turbulent fluid flow. The results for the temperature profiles in the exhaust pipe show a good proximity between the mathematical model developed and the multidimensional software.

Profiling Patients' Healthcare Needs to Support Integrated, Person-Centered Models for Long-Term Disease Management (Profile): Research Design.

PubMed

Elissen, Arianne Mj; Hertroijs, Dorijn Fl; Schaper, Nicolaas C; Vrijhoef, Hubertus Jm; Ruwaard, Dirk

2016-04-29

This article presents the design of PROFILe, a study investigating which (bio)medical and non-(bio)medical patient characteristics should guide more tailored chronic care. Based on this insight, the project aims to develop and validate 'patient profiles' that can be used in practice to determine optimal treatment strategies for subgroups of chronically ill with similar healthcare needs and preferences. PROFILe is a practice-based research comprising four phases. The project focuses on patients with type 2 diabetes. During the first study phase, patient profiles are drafted based on a systematic literature research, latent class growth modeling, and expert collaboration. In phase 2, the profiles are validated from a clinical, patient-related and statistical perspective. Phase 3 involves a discrete choice experiment to gain insight into the patient preferences that exist per profile. In phase 4, the results from all analyses are integrated and recommendations formulated on which patient characteristics should guide tailored chronic care. PROFILe is an innovative study which uses a uniquely holistic approach to assess the healthcare needs and preferences of chronically ill. The patient profiles resulting from this project must be tested in practice to investigate the effects of tailored management on patient experience, population health and costs.

Characterizing the Phyllosilicates and Amorphous Phases Found by MSL Using Laboratory XRD and EGA Measurements of Natural and Synthetic Materials

NASA Technical Reports Server (NTRS)

Rampe, Elizabeth B.; Morris, Richard V.; Chipera, Steve; Bish, David L.; Bristow, Thomas; Archer, Paul Douglas; Blake, David; Achilles, Cherie; Ming, Douglas W.; Vaniman, David;

Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides.

PubMed

Mphahlele, Malose Jack; Maluleka, Marole Maria; Rhyman, Lydia; Ramasami, Ponnadurai; Mampa, Richard Mokome

2017-01-04

The structures of the mono- and the dihalogenated N -unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct resonances of different chemical shift values in the ¹H-NMR spectra of these compounds were observed. 2-Amino-5-bromobenzamide ( ABB ) as a model confirmed the presence of strong intramolecular hydrogen bonds between oxygen and the amine hydrogen. However, intramolecular hydrogen bonding between the carbonyl oxygen and the amine protons was not observed in the solution phase due to a rapid exchange of these two protons with the solvent and fast rotation of the Ar-NH₂ single bond. XRD also revealed the ability of the amide unit of these compounds to function as a hydrogen bond donor and acceptor simultaneously to form strong intermolecular hydrogen bonding between oxygen of one molecule and the NH moiety of the amine or amide group of the other molecule and between the amine nitrogen and the amide hydrogen of different molecules. DFT calculations using the B3LYP/6-311++G(d,p) basis set revealed that the conformer ( A ) with oxygen and 2-amine on the same side predominates possibly due to the formation of a six-membered intramolecular ring, which is assisted by hydrogen bonding as observed in the single crystal XRD structure.

Gene Expression Profiling in Rodent Models for Schizophrenia

PubMed Central

Schijndel, Jessica E. Van; Martens, Gerard J.M

2010-01-01

The complex neurodevelopmental disorder schizophrenia is thought to be induced by an interaction between predisposing genes and environmental stressors. In order to get a better insight into the aetiology of this complex disorder, animal models have been developed. In this review, we summarize mRNA expression profiling studies on neurodevelopmental, pharmacological and genetic animal models for schizophrenia. We discuss parallels and contradictions among these studies, and propose strategies for future research. PMID:21629445

New figuring model based on surface slope profile for grazing-incidence reflective optics

DOE PAGES

Zhou, Lin; Huang, Lei; Bouet, Nathalie; ...

2016-08-09

Surface slope profile is widely used in the metrology of grazing-incidence reflective optics instead of surface height profile. Nevertheless, the theoretical and experimental model currently used in deterministic optical figuring processes is based on surface height, not on surface slope. This means that the raw slope profile data from metrology need to be converted to height profile to perform the current height-based figuring processes. The inevitable measurement noise in the raw slope data will introduce significant cumulative error in the resultant height profiles. As a consequence, this conversion will degrade the determinism of the figuring processes, and will have anmore » impact on the ultimate surface figuring results. To overcome this problem, an innovative figuring model is proposed, which directly uses the raw slope profile data instead of the usual height data as input for the deterministic process. In this article, first the influence of the measurement noise on the resultant height profile is analyzed, and then a new model is presented; finally a demonstration experiment is carried out using a one-dimensional ion beam figuring process to demonstrate the validity of our approach.« less

A Comparison of Modeled Pollutant Profiles With MOZAIC Aircraft Measurements

EPA Science Inventory

In this study, we use measurements performed under the MOZAIC program to evaluate vertical profiles of meteorological parameters, CO, and ozone that were simulated for the year 2006 with several versions of the WRF/CMAQ modeling system. Model updates, including WRF nudging strate...

Modeling the Zeeman effect in high altitude SSMIS channels for numerical weather prediction profiles: comparing a fast model and a line-by-line model

NASA Astrophysics Data System (ADS)

Larsson, R.; Milz, M.; Rayer, P.; Saunders, R.; Bell, W.; Booton, A.; Buehler, S. A.; Eriksson, P.; John, V.

2015-10-01

We present a comparison of a reference and a fast radiative transfer model using numerical weather prediction profiles for the Zeeman-affected high altitude Special Sensor Microwave Imager/Sounder channels 19-22. We find that the models agree well for channels 21 and 22 compared to the channels' system noise temperatures (1.9 and 1.3 K, respectively) and the expected profile errors at the affected altitudes (estimated to be around 5 K). For channel 22 there is a 0.5 K average difference between the models, with a standard deviation of 0.24 K for the full set of atmospheric profiles. Same channel, there is 1.2 K in average between the fast model and the sensor measurement, with 1.4 K standard deviation. For channel 21 there is a 0.9 K average difference between the models, with a standard deviation of 0.56 K. Same channel, there is 1.3 K in average between the fast model and the sensor measurement, with 2.4 K standard deviation. We consider the relatively small model differences as a validation of the fast Zeeman effect scheme for these channels. Both channels 19 and 20 have smaller average differences between the models (at below 0.2 K) and smaller standard deviations (at below 0.4 K) when both models use a two-dimensional magnetic field profile. However, when the reference model is switched to using a full three-dimensional magnetic field profile, the standard deviation to the fast model is increased to almost 2 K due to viewing geometry dependencies causing up to ± 7 K differences near the equator. The average differences between the two models remain small despite changing magnetic field configurations. We are unable to compare channels 19 and 20 to sensor measurements due to limited altitude range of the numerical weather prediction profiles. We recommended that numerical weather prediction software using the fast model takes the available fast Zeeman scheme into account for data assimilation of the affected sensor channels to better constrain the upper

Integrated modeling of temperature and rotation profiles in JET ITER-like wall discharges

NASA Astrophysics Data System (ADS)

Rafiq, T.; Kritz, A. H.; Kim, Hyun-Tae; Schuster, E.; Weiland, J.

2017-10-01

Simulations of 78 JET ITER-like wall D-D discharges and 2 D-T reference discharges are carried out using the TRANSP predictive integrated modeling code. The time evolved temperature and rotation profiles are computed utilizing the Multi-Mode anomalous transport model. The discharges involve a broad range of conditions including scans over gyroradius, collisionality, and values of q95. The D-T reference discharges are selected in anticipation of the D-T experimental campaign planned at JET in 2019. The simulated temperature and rotation profiles are compared with the corresponding experimental profiles in the radial range from the magnetic axis to the ρ = 0.9 flux surface. The comparison is quantified by calculating the RMS deviations and Offsets. Overall, good agreement is found between the profiles produced in the simulations and the experimental data. It is planned that the simulations obtained using the Multi-Mode model will be compared with the simulations using the TGLF model. Research supported in part by the US, DoE, Office of Sciences.

Preliminary results for model identification in characterizing 2-D topographic road profiles

NASA Astrophysics Data System (ADS)

Kern, Joshua V.; Ferris, John B.

2006-05-01

Load data representing severe customer usage is needed throughout a chassis development program; the majority of these chassis loads originate with the excitation from the road. These chassis loads are increasingly derived from vehicle simulations. Simulating a vehicle traversing long roads is simply impractical, however, and a greatly reduced set of characteristic roads must be found. In order to characterize a road, certain modeling assumptions must be made. Several models have been proposed making various assumptions about the properties that road profiles possess. The literature in this field is reviewed before focusing on two modeling assumptions of particular interest: the stationarity of the signal (homogeneity of the road) and the corresponding interval over which previous data points are correlated to the current data point. In this work, 2-D topographic road profiles are considered to be signals that are realizations of a stochastic process. The objective of this work is to investigate the stationarity assumption and the interval of influence for several carefully controlled sections of highway pavement in the United States. Two statistical techniques are used in analyzing these data: the autocorrelation and the partial autocorrelation. It is shown that the road profile signals in their original form are not stationary and have an extremely long interval of influence on the order of 25m. By differencing the data, however, it is often possible to generate stationary residuals and a very short interval of influence on the order of 250mm. By examining the autocorrelation and the partial autocorrelation, various versions of ARIMA models appear to be appropriate for further modeling. Implications to modeling the signals as Markov Chains are also discussed. In this way, roads can be characterized by the model architecture and the particular parameterization of the model. Any synthetic road realized from a particular model represents all profiles in this set

Pharmacokinetic Modeling to Simulate the Concentration-Time Profiles After Dermal Application of Rivastigmine Patch.

PubMed

Nozaki, Sachiko; Yamaguchi, Masayuki; Lefèvre, Gilbert

2016-07-01

Rivastigmine is an inhibitor of acetylcholinesterases and butyrylcholinesterases for symptomatic treatment of Alzheimer disease and is available as oral and transdermal patch formulations. A dermal absorption pharmacokinetic (PK) model was developed to simulate the plasma concentration-time profile of rivastigmine to answer questions relative to the efficacy and safety risks after misuse of the patch (e.g., longer application than 24 h, multiple patches applied at the same time, and so forth). The model comprised 2 compartments which was a combination of mechanistic dermal absorption model and a basic 1-compartment model. The initial values for the model were determined based on the physicochemical characteristics of rivastigmine and PK parameters after intravenous administration. The model was fitted to the clinical PK profiles after single application of rivastigmine patch to obtain model parameters. The final model was validated by confirming that the simulated concentration-time curves and PK parameters (Cmax and area under the drug plasma concentration-time curve) conformed to the observed values and then was used to simulate the PK profiles of rivastigmine. This work demonstrated that the mechanistic dermal PK model fitted the clinical data well and was able to simulate the PK profile after patch misuse. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

PubMed

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

Spectral Line-Shape Model to Replace the Voigt Profile in Spectroscopic Databases

NASA Astrophysics Data System (ADS)

Lisak, Daniel; Ngo, Ngoc Hoa; Tran, Ha; Hartmann, Jean-Michel

2014-06-01

The standard description of molecular line shapes in spectral databases and radiative transfer codes is based on the Voigt profile. It is well known that its simplified assumptions of absorber free motion and independence of collisional parameters from absorber velocity lead to systematic errors in analysis of experimental spectra, and retrieval of gas concentration. We demonstrate1,2 that the partially correlated quadratic speed-dependent hardcollision profile3. (pCqSDHCP) is a good candidate to replace the Voigt profile in the next generations of spectroscopic databases. This profile takes into account the following physical effects: the Doppler broadening, the pressure broadening and shifting of the line, the velocity-changing collisions, the speed-dependence of pressure broadening and shifting, and correlations between velocity- and phase/state-changing collisions. The speed-dependence of pressure broadening and shifting is incorporated into the pCqSDNGP in the so-called quadratic approximation. The velocity-changing collisions lead to the Dicke narrowing effect; however in many cases correlations between velocityand phase/state-changing collisions may lead to effective reduction of observed Dicke narrowing. The hard-collision model of velocity-changing collisions is also known as the Nelkin-Ghatak model or Rautian model. Applicability of the pCqSDHCP for different molecular systems was tested on calculated and experimental spectra of such molecules as H2, O2, CO2, H2O in a wide span of pressures. For all considered systems, pCqSDHCP is able to describe molecular spectra at least an order of magnitude better than the Voigt profile with all fitted parameters being linear with pressure. In the most cases pCqSDHCP can reproduce the reference spectra down to 0.2% or better, which fulfills the requirements of the most demanding remote-sensing applications. An important advantage of pCqSDHCP is that a fast algorithm for its computation was developedab4,5 and allows

First-Principles-Driven Model-Based Optimal Control of the Current Profile in NSTX-U

NASA Astrophysics Data System (ADS)

Ilhan, Zeki; Barton, Justin; Wehner, William; Schuster, Eugenio; Gates, David; Gerhardt, Stefan; Kolemen, Egemen; Menard, Jonathan

2014-10-01

Regulation in time of the toroidal current profile is one of the main challenges toward the realization of the next-step operational goals for NSTX-U. A nonlinear, control-oriented, physics-based model describing the temporal evolution of the current profile is obtained by combining the magnetic diffusion equation with empirical correlations obtained at NSTX-U for the electron density, electron temperature, and non-inductive current drives. In this work, the proposed model is embedded into the control design process to synthesize a time-variant, linear-quadratic-integral, optimal controller capable of regulating the safety factor profile around a desired target profile while rejecting disturbances. Neutral beam injectors and the total plasma current are used as actuators to shape the current profile. The effectiveness of the proposed controller in regulating the safety factor profile in NSTX-U is demonstrated via closed-loop predictive simulations carried out in PTRANSP. Supported by PPPL.

Modeling the Zeeman effect in high-altitude SSMIS channels for numerical weather prediction profiles: comparing a fast model and a line-by-line model

NASA Astrophysics Data System (ADS)

Larsson, Richard; Milz, Mathias; Rayer, Peter; Saunders, Roger; Bell, William; Booton, Anna; Buehler, Stefan A.; Eriksson, Patrick; John, Viju O.

2016-03-01

We present a comparison of a reference and a fast radiative transfer model using numerical weather prediction profiles for the Zeeman-affected high-altitude Special Sensor Microwave Imager/Sounder channels 19-22. We find that the models agree well for channels 21 and 22 compared to the channels' system noise temperatures (1.9 and 1.3 K, respectively) and the expected profile errors at the affected altitudes (estimated to be around 5 K). For channel 22 there is a 0.5 K average difference between the models, with a standard deviation of 0.24 K for the full set of atmospheric profiles. Concerning the same channel, there is 1.2 K on average between the fast model and the sensor measurement, with 1.4 K standard deviation. For channel 21 there is a 0.9 K average difference between the models, with a standard deviation of 0.56 K. Regarding the same channel, there is 1.3 K on average between the fast model and the sensor measurement, with 2.4 K standard deviation. We consider the relatively small model differences as a validation of the fast Zeeman effect scheme for these channels. Both channels 19 and 20 have smaller average differences between the models (at below 0.2 K) and smaller standard deviations (at below 0.4 K) when both models use a two-dimensional magnetic field profile. However, when the reference model is switched to using a full three-dimensional magnetic field profile, the standard deviation to the fast model is increased to almost 2 K due to viewing geometry dependencies, causing up to ±7 K differences near the equator. The average differences between the two models remain small despite changing magnetic field configurations. We are unable to compare channels 19 and 20 to sensor measurements due to limited altitude range of the numerical weather prediction profiles. We recommended that numerical weather prediction software using the fast model takes the available fast Zeeman scheme into account for data assimilation of the affected sensor channels to

Model of flare lightcurve profile observed in soft X-rays

NASA Astrophysics Data System (ADS)

Gryciuk, Magdalena; Siarkowski, Marek; Gburek, Szymon; Podgorski, Piotr; Sylwester, Janusz; Kepa, Anna; Mrozek, Tomasz

We propose a new model for description of solar flare lightcurve profile observed in soft X-rays. The method assumes that single-peaked `regular' flares seen in lightcurves can be fitted with the elementary time profile being a convolution of Gaussian and exponential functions. More complex, multi-peaked flares can be decomposed as a sum of elementary profiles. During flare lightcurve fitting process a linear background is determined as well. In our study we allow the background shape over the event to change linearly with time. Presented approach originally was dedicated to the soft X-ray small flares recorded by Polish spectrophotometer SphinX during the phase of very deep solar minimum of activity, between 23 rd and 24 th Solar Cycles. However, the method can and will be used to interpret the lightcurves as obtained by the other soft X-ray broad-band spectrometers at the time of both low and higher solar activity level. In the paper we introduce the model and present examples of fits to SphinX and GOES 1-8 Å channel observations as well.

A Study on Factors Affecting Strength of Solidified Peat through XRD and FESEM Analysis

NASA Astrophysics Data System (ADS)

Rahman, J. A.; Napia, A. M. A.; Nazri, M. A. A.; Mohamed, R. M. S. R.; Al-Geethi, A. S.

2018-04-01

Peat is soft soil that often causes multiple problems to construction. Peat has low shear strength and high deformation characteristics. Thus, peat soil needs to be stabilized or treated. Study on peat stabilization has been conducted for decades with various admixtures and mixing formulations. This project intends to provide an overview of the solidification of peat soil and the factors that affecting the strength of solidified peat soil. Three types of peats which are fabric, hemic and sapric were used in this study to understand the differences on the effect. The understanding of the factors affecting strength of solidified peat in this study is limited to XRD and FESEM analysis only. Peat samples were collected at Pontian, Johor and Parit Raja, Johor. Peat soil was solidified using fly ash, bottom ash and Portland cement with two mixing formulation following literature review. The solidified peat were cured for 7 days, 14 days, 28 days and 56 days. All samples were tested using Unconfined Compressive Strength Test (UCS), X-ray diffraction (XRD) and Field Emission Scanning Electron Microscope (FESEM). The compressive strength test of solidified peat had shown consistently increase of sheer strength, qu for Mixing 1 while decrease of its compressive strength value for Mixing 2. All samples were tested and compared for each curing days. Through XRD, it is found that all solidified peat are dominated with pargasite and richterite. The highest qu is Fabric Mixing 1(FM1) with the value of 105.94 kPa. This sample were proven contain pargasite. Samples with high qu were observed to be having fly ash and bottom ash bound together with the help of pargasite. Sample with decreasing strength showed less amount of pargasite in it. In can be concluded that XRD and FESEM findings are in line with UCS values.

Comparisons of Crosswind Velocity Profile Estimates Used in Fast-Time Wake Vortex Prediction Models

NASA Technical Reports Server (NTRS)

Pruis, Mathew J.; Delisi, Donald P.; Ahmad, Nashat N.

2011-01-01

Five methods for estimating crosswind profiles used in fast-time wake vortex prediction models are compared in this study. Previous investigations have shown that temporal and spatial variations in the crosswind vertical profile have a large impact on the transport and time evolution of the trailing vortex pair. The most important crosswind parameters are the magnitude of the crosswind and the gradient in the crosswind shear. It is known that pulsed and continuous wave lidar measurements can provide good estimates of the wind profile in the vicinity of airports. In this study comparisons are made between estimates of the crosswind profiles from a priori information on the trajectory of the vortex pair as well as crosswind profiles derived from different sensors and a regional numerical weather prediction model.

Structural investigations in helium charged titanium films using grazing incidence XRD and EXAFS spectroscopy

NASA Astrophysics Data System (ADS)

Wan, Chubin; Zhou, Xiaosong; Wang, Yuting; Li, Shina; Ju, Xin; Peng, Shuming

2014-01-01

The crystal structure and local atomic arrangements surrounding Ti atoms were determined for He-charged hexagonal close-packed (hcp) Ti films and measured at glancing angles by synchrotron radiation X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively. The charged specimens were prepared by direct current magnetron sputtering with a He/Ar mixture. He atoms with a relatively medium concentration (He/Ti atomic ratio as high as 17 at.%) were incorporated evenly in the deposited films. XRD results showed the changes in the peak intensities in Ti films with different He contents. EXAFS Fourier Transform analysis indicated that the average Ti-Ti distance decreased significantly, and proved the existence of phase transition.

Conditioning a segmented stem profile model for two diameter measurements

Treesearch

Raymond L. Czaplewski; Joe P. Mcclure

1988-01-01

The stem profile model of Max and Burkhart (1976) is conditioned for dbh and a second upper stem measurement. This model was applied to a loblolly pine data set using diameter outside bark at 5.3m (i.e., height of 17.3 foot Girard form class) as the second upper stem measurement, and then compared to the original, unconditioned model. Variance of residuals was reduced...

Modelling unsaturated/saturated flow in weathered profiles

NASA Astrophysics Data System (ADS)

Ireson, A. M.; Ali, M. A.; Van Der Kamp, G.

2016-12-01

Vertical weathering profiles are a common feature of many geological materials, where the fracture or macropore porosity decreases progressively below the ground surface. The weathered near surface zone (WNSZ) has an enhanced storage and permeability. When the water table is deep, the WNSZ can act to buffer recharge. When the water table is shallow, intersecting the WNSZ, transmissivity and lateral saturated flow, increase with increasing water table elevation. Such a situation exists in the glacial till dominated landscapes of the Canadian prairies, effectively resulting in dynamic patterns of subsurface connectivity. Using dual permeability hydraulic properties with vertically scaled macroporosity, we show how the WNSZ can be represented in models. The resulting model can be more parsimonious than an equivalent model with two or more discrete layers, and more physically realistic. We implement our model in PARFLOW-CLM, and apply the model to a field site in the Canadian prairies. We are able to convincingly simulate shallow groundwater dynamics, and spatio-temporal patterns of groundwater connectivity.

Magnetospheric accretion models for T Tauri stars. 1: Balmer line profiles without rotation

NASA Technical Reports Server (NTRS)

Hartmann, Lee; Hewett, Robert; Calvet, Nuria

1994-01-01

We argue that the strong emission lines of T Tauri stars are generally produced in infalling envelopes. Simple models of infall constrained to a dipolar magnetic field geometry explain many peculiarities of observed line profiles that are difficult, if not impossible, to reproduce with wind models. Radiative transfer effects explain why certain lines can appear quite symmetric while other lines simultaneously exhibit inverse P Cygni profiles, without recourse to complicated velocity fields. The success of the infall models in accounting for qualitative features of observed line profiles supports the proposal that stellar magnetospheres disrupt disk accretion in T Tauri stars, that true boundary layers are not usually present in T Tauri stars, and that the observed 'blue veiling' emission arises from the base of the magnetospheric accretion column.

XRD and FTIR structural investigation of gadolinium-zinc-borate glass ceramics

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

Borodi, G.; Pascuta, P.; Dan, V.

2013-11-13

X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy measurements have been employed to investigate the (Gd{sub 2}O{sub 3}){sub x}⋅(B{sub 2}O{sub 3}){sub (60−x)}⋅(ZnO){sub 40} glass ceramics system, with 0 ≤ x ≤ 15 mol%. After heat treatment applied at 860 °C for 2 h, some structural changes were observed and new crystalline phases appeared in the structure of the samples. In these glass ceramics four crystalline phases were identified using powder diffraction files (PDF 2), namely ZnB{sub 4}O{sub 7}, Zn{sub 4}O(B{sub 6}O{sub 12}), Zn{sub 3}(BO{sub 3}){sub 2} and GdBO{sub 3}. From the XRD data, the average unit-cell parameter and themore » quantitative ratio of the crystallographic phases in the studied samples were evaluated. FTIR data revealed that the BO{sub 3}, BO{sub 4} and ZnO{sub 4} are the main structural units of these glass ceramics network. The compositional dependence of the different structural units which appear in the studied samples was followed.« less

In situ synchrotron XRD analysis of the kinetics of spodumene phase transitions.

PubMed

L Moore, Radhika; Mann, Jason P; Montoya, Alejandro; Haynes, Brian S

2018-04-25

The phase transition by thermal activation of natural α-spodumene was followed by in situ synchrotron XRD in the temperature range 896 to 940 °C. We observed both β- and γ-spodumene as primary products in approximately equal proportions. The rate of the α-spodumene inversion is first order and highly sensitive to temperature (apparent activation energy ∼800 kJ mol-1). The γ-spodumene product is itself metastable, forming β-spodumene, with the total product mass fraction ratio fγ/fβ decreasing as the conversion of α-spodumene continues. We found the relationship between the product yields and the degree of conversion of α-spodumene to be the same at all temperatures in the range studied. A model incorporating first order kinetics of the α- and γ-phase inversions with invariant rate constant ratio describes the results accurately. Theoretical phonon analysis of the three phases indicates that the γ phase contains crystallographic instabilities, whilst the α and β phases do not.

A Photographic Profile Recorder for Airscrews and Wing Models

NASA Technical Reports Server (NTRS)

Kuhl, R.; Raab, K.

1946-01-01

This report describes an apparatus enabling measurements of bodies to be made photographically, where other methods would be difficult. It is especially useful in the case of airscrews and wing models. The utility of the machine is shown by a few examples of profile records.

Exact analytical modeling of lightwave propagation in planar media with arbitrarily graded index profiles

NASA Astrophysics Data System (ADS)

Krapez, J.-C.

2018-02-01

Applying the Darboux transformation in the optical-depth space allows building infinite chains of exact analytical solutions of the electromagnetic (EM) fields in planar 1D-graded dielectrics. As a matter of fact, infinite chains of solvable admittance profiles (e.g. refractive-index profiles, in the case of non-magnetic materials), together with the related EM fields are simultaneously and recursively obtained. The whole procedure has received the name "PROFIDT method" for PROperty and FIeld Darboux Transformation method. By repeating the Darboux transformations we can find out progressively more complex profiles and their EM solutions. An alternative is to stop after the first step and settle for a particular class of four-parameter admittance profiles that were dubbed of "sech(ξ)-type". These profiles are highly flexible. For this reason, they can be used as elementary bricks for building and modeling profiles of arbitrary shape. In addition, the corresponding transfer matrix involves only elementary functions. The sub-class of "sech(ξ)-type" profiles with horizontal end-slopes (S-shaped function) is particularly interesting: these can be used for high-level modeling of piecewise-sigmoidal refractive-index profiles encountered in various photonic devices such as matchinglayers, antireflection layers, rugate filters, chirped mirrors and photonic crystals. These simple analytical tools also allow exploring the fascinating properties of a new kind of structure, namely smooth quasicrystals. They can also be applied to model propagation of other types of waves in graded media such as acoustic waves and electric waves in tapered transmission lines.

The use of conduction model in laser weld profile computation

NASA Astrophysics Data System (ADS)

Grabas, Bogusław

2007-02-01

Profiles of joints resulting from deep penetration laser beam welding of a flat workpiece of carbon steel were computed. A semi-analytical conduction model solved with Green's function method was used in computations. In the model, the moving heat source was attenuated exponentially in accordance with Beer-Lambert law. Computational results were compared with those in the experiment.

Geocoronal Balmer α line profile observations and forward-model analysis

NASA Astrophysics Data System (ADS)

Mierkiewicz, E. J.; Bishop, J.; Roesler, F. L.; Nossal, S. M.

2006-05-01

High spectral resolution geocoronal Balmer α line profile observations from Pine Bluff Observatory (PBO) are presented in the context of forward-model analysis. Because Balmer series column emissions depend significantly on multiple scattering, retrieval of hydrogen parameters of general aeronomic interest from these observations (e.g., the hydrogen column abundance) currently requires a forward modeling approach. This capability is provided by the resonance radiative transfer code LYAO_RT. We have recently developed a parametric data-model comparison search procedure employing an extensive grid of radiative transport model input parameters (defining a 6-dimensional parameter space) to map-out bounds for feasible forward model retrieved atomic hydrogen density distributions. We applied this technique to same-night (March, 2000) ground-based Balmer α data from PBO and geocoronal Lyman β measurements from the Espectrógrafo Ultravioleta extremo para la Radiación Difusa (EURD) instrument on the Spanish satellite MINISAT-1 (provided by J.F. Gómez and C. Morales of the Laboratorio de Astrofisica Espacial y Física Fundamental, INTA, Madrid, Spain) in order to investigate the modeling constraints imposed by two sets of independent geocoronal intensity measurements, both of which rely on astronomical calibration methods. In this poster we explore extending this analysis to the line profile information also contained in the March 2000 PBO Balmer α data set. In general, a decrease in the Doppler width of the Balmer α emission with shadow altitude is a persistent feature in every night of PBO observations in which a wide range of shadow altitudes are observed. Preliminary applications of the LYAO_RT code, which includes the ability to output Doppler line profiles for both the singly and multiply scattered contributions to the Balmer α emission line, displays good qualitative agreement with regard to geocoronal Doppler width trends observed from PBO. Model-data Balmer

Elucidation of reaction mechanism involved in the formation of LaNiO3 from XRD and TG analysis

NASA Astrophysics Data System (ADS)

Dharmadhikari, Dipti V.; Athawale, Anjali A.

2013-06-01

The present work is focused on the synthesis and elucidation of reaction mechanism involved in the formation of LaNiO3 with the help of X-ray diffraction (XRD) and thermogravimetric (TG) analysis. LaNiO3 was synthesized by hydrothermal method by heating at 160°C under autogenous pressure for 6h. Pure phase product was obtained after calcining the hydrothermally activated product for 6h at 700°C. The various phases of the product obtained after hydrothermal treatment and calcination followed by the formation of pure phase nanocrystalline lanthanum nickel oxide could be determined from XRD analysis of the samples. The reaction mechanism and phase formation temperature has been interpreted by thermogravimetric analysis of the hydrothermally synthesized product and XRD analysis.

Model equations for the Eiffel Tower profile: historical perspective and new results

NASA Astrophysics Data System (ADS)

Weidman, Patrick; Pinelis, Iosif

2004-07-01

Model equations for the shape of the Eiffel Tower are investigated. One model purported to be based on Eiffel's writing does not give a tower with the correct curvature. A second popular model not connected with Eiffel's writings provides a fair approximation to the tower's skyline profile of 29 contiguous panels. Reported here is a third model derived from Eiffel's concern about wind loads on the tower, as documented in his communication to the French Civil Engineering Society on 30 March 1885. The result is a nonlinear, integro-differential equation which is solved to yield an exponential tower profile. It is further verified that, as Eiffel wrote, "in reality the curve exterior of the tower reproduces, at a determined scale, the same curve of the moments produced by the wind". An analysis of the actual tower profile shows that it is composed of two piecewise continuous exponentials with different growth rates. This is explained by specific safety factors for wind loading that Eiffel & Company incorporated in the design of the free-standing tower. To cite this article: P. Weidman, I. Pinelis, C. R. Mecanique 332 (2004).

A comparative analysis of speed profile models for wrist pointing movements.

PubMed

Vaisman, Lev; Dipietro, Laura; Krebs, Hermano Igo

2013-09-01

Following two decades of design and clinical research on robot-mediated therapy for the shoulder and elbow, therapeutic robotic devices for other joints are being proposed: several research groups including ours have designed robots for the wrist, either to be used as stand-alone devices or in conjunction with shoulder and elbow devices. However, in contrast with robots for the shoulder and elbow which were able to take advantage of descriptive kinematic models developed in neuroscience for the past 30 years, design of wrist robots controllers cannot rely on similar prior art: wrist movement kinematics has been largely unexplored. This study aimed at examining speed profiles of fast, visually evoked, visually guided, target-directed human wrist pointing movements. One thousand three-hundred ninety-eight (1398) trials were recorded from seven unimpaired subjects who performed center-out flexion/extension and abduction/adduction wrist movements and fitted with 19 models previously proposed for describing reaching speed profiles. A nonlinear, least squares optimization procedure extracted parameters' sets that minimized error between experimental and reconstructed data. Models' performances were compared based on their ability to reconstruct experimental data. Results suggest that the support-bounded lognormal is the best model for speed profiles of fast, wrist pointing movements. Applications include design of control algorithms for therapeutic wrist robots and quantitative metrics of motor recovery.

Superdiffusion in a non-Markovian random walk model with a Gaussian memory profile

NASA Astrophysics Data System (ADS)

Borges, G. M.; Ferreira, A. S.; da Silva, M. A. A.; Cressoni, J. C.; Viswanathan, G. M.; Mariz, A. M.

2012-09-01

Most superdiffusive Non-Markovian random walk models assume that correlations are maintained at all time scales, e.g., fractional Brownian motion, Lévy walks, the Elephant walk and Alzheimer walk models. In the latter two models the random walker can always "remember" the initial times near t = 0. Assuming jump size distributions with finite variance, the question naturally arises: is superdiffusion possible if the walker is unable to recall the initial times? We give a conclusive answer to this general question, by studying a non-Markovian model in which the walker's memory of the past is weighted by a Gaussian centered at time t/2, at which time the walker had one half the present age, and with a standard deviation σt which grows linearly as the walker ages. For large widths we find that the model behaves similarly to the Elephant model, but for small widths this Gaussian memory profile model behaves like the Alzheimer walk model. We also report that the phenomenon of amnestically induced persistence, known to occur in the Alzheimer walk model, arises in the Gaussian memory profile model. We conclude that memory of the initial times is not a necessary condition for generating (log-periodic) superdiffusion. We show that the phenomenon of amnestically induced persistence extends to the case of a Gaussian memory profile.

Modeling and life prediction methodology for Titanium Matrix Composites subjected to mission profiles

NASA Technical Reports Server (NTRS)

Mirdamadi, M.; Johnson, W. S.

1994-01-01

Titanium matrix composites (TMC) are being evaluated as structural materials for elevated temperature applications in future generation hypersonic vehicles. In such applications, TMC components are subjected to complex thermomechanical loading profiles at various elevated temperatures. Therefore, thermomechanical fatigue (TMF) testing, using a simulated mission profile, is essential for evaluation and development of life prediction methodologies. The objective of the research presented in this paper was to evaluate the TMF response of the (0/90)2s SCS-6/Timetal-21S subjected to a generic hypersonic flight profile and its portions with a temperature ranging from -130 C to 816 C. It was found that the composite modulus, prior to rapid degradation, had consistent values for all the profiles tested. A micromechanics based analysis was used to predict the stress-strain response of the laminate and of the constituents in each ply during thermomechanical loading conditions by using only constituent properties as input. The fiber was modeled as elastic with transverse orthotropic and temperature dependent properties. The matrix was modeled using a thermoviscoplastic constitutive relation. In the analysis, the composite modulus degradation was assumed to result from matrix cracking and was modeled by reducing the matrix modulus. Fatigue lives of the composite subjected to the complex generic hypersonic flight profile were well correlated using the predicted stress in 0 degree fibers.

Mineralogical composition of the meteorite El Pozo (Mexico): a Raman, infrared and XRD study.

PubMed

Ostrooumov, Mikhail; Hernández-Bernal, Maria del Sol

2011-12-01

The Raman (RMP), infrared (IR) and XRD analysis have been applied to the examination of mineralogical composition of El Pozo meteorite (an ordinary chondrite L5 type; village Valle of Allende, founded in State of Chihuahua, Mexico: 26°56'N and 105°24'W, 1998). RMP measurements in the range of 100-3500 cm(-1) revealed principal characteristic bands of the major minerals: olivine, two polymorph modifications of pyroxene (OPx and CPx) and plagioclase. Some bands of the minor minerals (hematite and goethite) were also identified. All these minerals were clearly distinguished using IR and XRD techniques. XRD technique has shown the presence of some metallic phases such as kamacite and taenite as well as troilite and chromite. These minerals do not have characteristic Raman spectra because Fe-Ni metals have no active modes for Raman spectroscopy and troilite is a weak Raman scatterer. Raman mapping microspectroscopy was a key part in the investigation of El Pozo meteorite's spatial distribution of the main minerals because these samples are structurally and chemically complex and heterogeneous. The mineral mapping by Raman spectroscopy has provided information for a certain spatial region on which a spatial distribution coexists of the three typical mineral assemblages: olivine; olivine+orthopyroxene; and orthopyroxene. Copyright © 2011 Elsevier B.V. All rights reserved.

Evolution of Cross-Shore Profile Models for Sustainable Coastal Design

NASA Astrophysics Data System (ADS)

Ismail, Nabil; El-Sayed, Mohamed

2014-05-01

Selection and evaluation of coastal structures are correlated with environmental wave and current parameters as well as cross shore profiles. The coupling between the environmental conditions and cross shore profiles necessitates the ability to predict reasonably the cross shore profiles. Results obtained from the validation of a cross-shore profile evolution model, Uniform Beach Sediment Transport-Time-Averaged Cross-Shore (UNIBEST-TC), were examined and further analyzed to reveal the reasons for the discrepancy between the model predictions of the field data at the surf zone of the Duck Beach in North Carolina, USA. The UNIBEST model was developed to predict the main cross shore parameters of wave height, direction, cross shore and long shore currents. However, the results of the model predictions are generally satisfactory for wave height and direction but not satisfactory for the remaining parameters. This research is focused on exploring the discrepancy between the model predictions and the field data of the Duck site, and conducting further analyses to recommend model refinements. The discrepancy is partially attributed due to the fact that the measured values, were taken close to the seabed, while the predicted values are the depth-averaged velocity. Further examination indicated that UNIBEST-TC model runs consider the RMS of the wave height spectrum with a constant gamma-value from the offshore wave spectrum at 8.0m depth. To confirm this argument, a Wavelet Analysis was applied to the time series of wave height and longshore current velocity parameters at the Duck site. The significant wave height ranged between 0.6m and 4.0m while the frequencies ranged between 0.08 to 0.2Hz at 8.0m water depth. Four cases corresponding to events of both high water level and low water level at Duck site were considered in this study. The results show that linear and non-linear interaction between wave height and long-shore current occur over the range of frequencies

Profile-Likelihood Approach for Estimating Generalized Linear Mixed Models with Factor Structures

ERIC Educational Resources Information Center

Jeon, Minjeong; Rabe-Hesketh, Sophia

2012-01-01

In this article, the authors suggest a profile-likelihood approach for estimating complex models by maximum likelihood (ML) using standard software and minimal programming. The method works whenever setting some of the parameters of the model to known constants turns the model into a standard model. An important class of models that can be…

XRD and SEM study of alumina silicate porcelain insulator

NASA Astrophysics Data System (ADS)

Duddi, Dharmender; Singh, G. P.; Kalra, Swati; Shekhawat, M. S.; Tak, S. K.

2018-05-01

Higher strength electrical porcelain is a requirement of industry. This will be achieved by a specific composition of raw materials, which is consisted of clays and feldspars. Water absorption, particle size and insulating properties are of special interest now a day. China clay, Ball clay and Quartz are widely used by ceramic industries in Bikaner district of Rajasthan. Sample for present study were prepared by mixing of above clay, feldspar with MnO2, then shrinkage is observed. Bar shaped samples were prepared and heated up to a temperature of about 1185° C to observe shrinkage. For phase study of XRD and SEM are observed.

Modelling gene expression profiles related to prostate tumor progression using binary states

PubMed Central

2013-01-01

Background Cancer is a complex disease commonly characterized by the disrupted activity of several cancer-related genes such as oncogenes and tumor-suppressor genes. Previous studies suggest that the process of tumor progression to malignancy is dynamic and can be traced by changes in gene expression. Despite the enormous efforts made for differential expression detection and biomarker discovery, few methods have been designed to model the gene expression level to tumor stage during malignancy progression. Such models could help us understand the dynamics and simplify or reveal the complexity of tumor progression. Methods We have modeled an on-off state of gene activation per sample then per stage to select gene expression profiles associated to tumor progression. The selection is guided by statistical significance of profiles based on random permutated datasets. Results We show that our method identifies expected profiles corresponding to oncogenes and tumor suppressor genes in a prostate tumor progression dataset. Comparisons with other methods support our findings and indicate that a considerable proportion of significant profiles is not found by other statistical tests commonly used to detect differential expression between tumor stages nor found by other tailored methods. Ontology and pathway analysis concurred with these findings. Conclusions Results suggest that our methodology may be a valuable tool to study tumor malignancy progression, which might reveal novel cancer therapies. PMID:23721350

An Integrated XRF/XRD Instrument for Mars Exobiology and Geology Experiments

NASA Technical Reports Server (NTRS)

Koppel, L. N.; Franco, E. D.; Kerner, J. A.; Fonda, M. L.; Schwartz, D. E.; Marshall, J. R.

1993-01-01

By employing an integrated x-ray instrument on a future Mars mission, data obtained will greatly augment those returned by Viking; details characterizing the past and present environment on Mars and those relevant to the possibility of the origin and evolution of life will be acquired. A combined x-ray fluorescence/x-ray diffraction (XRF/XRD) instrument was breadboarded and demonstrated to accommodate important exobiology and geology experiment objectives outlined for MESUR and future Mars missions. Among others, primary objectives for the exploration of Mars include the intense study of local areas on Mars to establish the chemical, mineralogical, and petrological character of different components of the surface material; to determine the distribution, abundance, and sources and sinks of volatile materials, including an assessment of the biologic potential, now and during past epoches; and to establish the global chemical and physical characteristics of the Martian surface. The XRF/XRD breadboard instrument identifies and quantifies soil surface elemental, mineralogical, and petrological characteristics and acquires data necessary to address questions on volatile abundance and distribution. Additionally, the breadboard is able to characterize the biogenic element constituents of soil samples providing information on the biologic potential of the Mars environment. Preliminary breadboard experiments confirmed the fundamental instrument design approach and measurement performance.

Optimization-Based Model Fitting for Latent Class and Latent Profile Analyses

ERIC Educational Resources Information Center

Huang, Guan-Hua; Wang, Su-Mei; Hsu, Chung-Chu

2011-01-01

Statisticians typically estimate the parameters of latent class and latent profile models using the Expectation-Maximization algorithm. This paper proposes an alternative two-stage approach to model fitting. The first stage uses the modified k-means and hierarchical clustering algorithms to identify the latent classes that best satisfy the…

The scientific theory profile: A philosophy of science model for science teachers

NASA Astrophysics Data System (ADS)

Loving, Cathleen C.

A model called the Scientific Theory Profile was developed for use with preservice and inservice science teachers or with graduate students interested in the various ways scientific theories are perceived. Early indications - from a survey of institutions with science education programs and a survey of current science methods texts - are that too little emphasis is placed on what contemporary writings reveal about the nature and importance of scientific theories. This prompted the development of the Profile. The Profile consists of a grid, with the x-axis representing methods for judging theories (rational vs. natural), and the y-axis representing views on reigning scientific theories as being the Truth versus models of what works best (realism vs. anti-realism). Three well-known philosophers of science who were selected for detailed analysis and who form the keystone positions on the Profile are Thomas Kuhn, Carl Hempel, and Sir Karl Popper. The hypothesis was that an analysis of the writings of respected individuals in philosophy and history of science who have different perspectives on theories (as well as overarching areas of agreement) could be translated into relative coordinates on a graph; and that this visual model might be helpful to science teachers in developing a balanced philosophy of science and a deeper understanding of the power of reigning theories. Nine other contemporary philosophers, all influenced by the three originals, are included in brief analyses, with their positions on the grid being relative to the keystones. The Scientific Theory Profile then forms the basis for a course, now in the planning stages, in perspectives on the nature of science, primarily for science teachers, with some objectives and activities suggested.

Estimation of Mesoscale Atmospheric Latent Heating Profiles from TRMM Rain Statistics Utilizing a Simple One-Dimensional Model

NASA Technical Reports Server (NTRS)

Iacovazzi, Robert A., Jr.; Prabhakara, C.

2002-01-01

In this study, a model is developed to estimate mesoscale-resolution atmospheric latent heating (ALH) profiles. It utilizes rain statistics deduced from Tropical Rainfall Measuring Mission (TRMM) data, and cloud vertical velocity profiles and regional surface thermodynamic climatologies derived from other available data sources. From several rain events observed over tropical ocean and land, ALH profiles retrieved by this model in convective rain regions reveal strong warming throughout most of the troposphere, while in stratiform rain regions they usually show slight cooling below the freezing level and significant warming above. The mesoscale-average, or total, ALH profiles reveal a dominant stratiform character, because stratiform rain areas are usually much larger than convective rain areas. Sensitivity tests of the model show that total ALH at a given tropospheric level varies by less than +/- 10 % when convective and stratiform rain rates and mesoscale fractional rain areas are perturbed individually by +/- 15 %. This is also found when the non-uniform convective vertical velocity profiles are replaced by one that is uniform. Larger variability of the total ALH profiles arises when climatological ocean- and land-surface temperatures (water vapor mixing ratios) are independently perturbed by +/- 1.0 K (+/- 5%) and +/- 5.0 K (+/- 15%), respectively. At a given tropospheric level, such perturbations can cause a +/- 25% variation of total ALH over ocean, and a factor-of-two sensitivity over land. This sensitivity is reduced substantially if perturbations of surface thermodynamic variables do not change surface relative humidity, or are not extended throughout the entire model evaporation layer. The ALH profiles retrieved in this study agree qualitatively with tropical total diabatic heating profiles deduced in earlier studies. Also, from January and July 1999 ALH-profile climatologies generated separately with TRMM Microwave Imager and Precipitation Radar rain

Estimation of Mesoscale Atmospheric Latent Heating Profiles from TRMM Rain Statistics Utilizing a Simple One-Dimensional Model

NASA Technical Reports Server (NTRS)

Iacovazzi, Robert A., Jr.; Prabhakara, C.; Lau, William K. M. (Technical Monitor)

2001-01-01

In this study, a model is developed to estimate mesoscale-resolution atmospheric latent heating (ALH) profiles. It utilizes rain statistics deduced from Tropical Rainfall Measuring Mission (TRMM) data, and cloud vertical velocity profiles and regional surface thermodynamic climatologies derived from other available data sources. From several rain events observed over tropical ocean and land, ALH profiles retrieved by this model in convective rain regions reveal strong warming throughout most of the troposphere, while in stratiform rain regions they usually show slight cooling below the freezing level and significant warming above. The mesoscale-average, or total, ALH profiles reveal a dominant stratiform character, because stratiform rain areas are usually much larger than convective rain areas. Sensitivity tests of the model show that total ALH at a given tropospheric level varies by less than +/- 10 % when convective and stratiform rain rates and mesoscale fractional rain areas are perturbed individually by 1 15 %. This is also found when the non-uniform convective vertical velocity profiles are replaced by one that is uniform. Larger variability of the total ALH profiles arises when climatological ocean- and land-surface temperatures (water vapor mixing ratios) are independently perturbed by +/- 1.0 K (+/- 5 %) and +/- 5.0 K (+/- 15 %), respectively. At a given tropospheric level, such perturbations can cause a +/- 25 % variation of total ALH over ocean, and a factor-of-two sensitivity over land. This sensitivity is reduced substantially if perturbations of surface thermodynamic variables do not change surface relative humidity, or are not extended throughout the entire model evaporation layer. The ALH profiles retrieved in this study agree qualitatively with tropical total diabatic heating profiles deduced in earlier studies. Also, from January and July 1999 ALH-profile climatologies generated separately with TRMM Microwave Imager and Precipitation Radar rain

CGDM: collaborative genomic data model for molecular profiling data using NoSQL.

PubMed

Wang, Shicai; Mares, Mihaela A; Guo, Yi-Ke

2016-12-01

High-throughput molecular profiling has greatly improved patient stratification and mechanistic understanding of diseases. With the increasing amount of data used in translational medicine studies in recent years, there is a need to improve the performance of data warehouses in terms of data retrieval and statistical processing. Both relational and Key Value models have been used for managing molecular profiling data. Key Value models such as SeqWare have been shown to be particularly advantageous in terms of query processing speed for large datasets. However, more improvement can be achieved, particularly through better indexing techniques of the Key Value models, taking advantage of the types of queries which are specific for the high-throughput molecular profiling data. In this article, we introduce a Collaborative Genomic Data Model (CGDM), aimed at significantly increasing the query processing speed for the main classes of queries on genomic databases. CGDM creates three Collaborative Global Clustering Index Tables (CGCITs) to solve the velocity and variety issues at the cost of limited extra volume. Several benchmarking experiments were carried out, comparing CGDM implemented on HBase to the traditional SQL data model (TDM) implemented on both HBase and MySQL Cluster, using large publicly available molecular profiling datasets taken from NCBI and HapMap. In the microarray case, CGDM on HBase performed up to 246 times faster than TDM on HBase and 7 times faster than TDM on MySQL Cluster. In single nucleotide polymorphism case, CGDM on HBase outperformed TDM on HBase by up to 351 times and TDM on MySQL Cluster by up to 9 times. The CGDM source code is available at https://github.com/evanswang/CGDM. y.guo@imperial.ac.uk. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Mössbauer and XRD study of novel quaternary Sn-Fe-Co-Ni electroplated alloy

NASA Astrophysics Data System (ADS)

Kuzmann, E.; Sziráki, L.; Stichleutner, S.; Homonnay, Z.; Lak, G. B.; El-Sharif, M.; Chisholm, C. U.

2017-11-01

Constant current electrochemical deposition technique was used to obtain quaternary alloys of Sn-Fe-Co-Ni from a gluconate electrolyte, which to date have not been reported in the literature. For the characterization of electroplated alloys, 57Fe and 119Sn Conversion Electron Mössbauer Spectroscopy (CEMS), XRD and SEM/EDAX were used. XRD revealed the amorphous character of the novel Sn-Fe-Co-Ni electrodeposited alloys. 57Fe Mössbauer spectrum of quaternary deposit with composition of 37.0 at% Sn, 38.8 at% Fe, 16.8 at% Co and 7.4 at% Ni displayed a magnetically split sextet (B = 28.9T) with broad lines typical of iron bearing ferromagnetic amorphous alloys. Magnetically split 119Sn spectra reflecting a transferred hyperfine field (B = 2.3T) were also observed. New quaternary Sn-Fe-Co-Ni alloys were successfully prepared.

Ozone Mapping and Profiler Suite: using mission performance data to refine predictive contamination modeling

NASA Astrophysics Data System (ADS)

Devaud, Genevieve; Jaross, Glen

2014-09-01

On October 28, 2011, the Suomi National Polar-orbiting Partnership (Suomi NPP) satellite launched at Vandenberg Air Force base aboard a United Launch Alliance Delta II rocket. Included among the five instruments was the Ozone Mapping and Profiler Suite (OMPS), an advanced suite of three hyperspectral instruments built by Ball Aerospace and Technologies Corporation (BATC) for the NASA Goddard Space Flight Center. Molecular transport modeling is used to predict optical throughput changes due to contaminant accumulation to ensure performance margin to End Of Life. The OMPS Nadir Profiler, operating at the lowest wavelengths of 250 - 310 nm, is most sensitive to contaminant accumulation. Geometry, thermal profile and material properties must be accurately modeled in order to have confidence in the results, yet it is well known that the complex chemistry and process dependent variability of aerospace materials presents a substantial challenge to the modeler. Assumptions about the absorption coefficients, desorption and diffusion kinetics of outgassing species from polymeric materials dramatically affect the model predictions, yet it is rare indeed that on-mission data is analyzed at a later date as a means to compare with modeling results. Optical throughput measurements for the Ozone and Mapping Profiler Suite on the Suomi NPP Satellite indicate that optical throughput degradation between day 145 and day 858 is less than 0.5%. We will show how assumptions about outgassing rates and desorption energies, in particular, dramatically affect the modeled optical throughput and what assumptions represent the on-orbit data.

Modeling of Aerosol Vertical Profiles Using GIS and Remote Sensing

PubMed Central

Wong, Man Sing; Nichol, Janet E.; Lee, Kwon Ho

2009-01-01

The use of Geographic Information Systems (GIS) and Remote Sensing (RS) by climatologists, environmentalists and urban planners for three dimensional modeling and visualization of the landscape is well established. However no previous study has implemented these techniques for 3D modeling of atmospheric aerosols because air quality data is traditionally measured at ground points, or from satellite images, with no vertical dimension. This study presents a prototype for modeling and visualizing aerosol vertical profiles over a 3D urban landscape in Hong Kong. The method uses a newly developed technique for the derivation of aerosol vertical profiles from AERONET sunphotometer measurements and surface visibility data, and links these to a 3D urban model. This permits automated modeling and visualization of aerosol concentrations at different atmospheric levels over the urban landscape in near-real time. Since the GIS platform permits presentation of the aerosol vertical distribution in 3D, it can be related to the built environment of the city. Examples are given of the applications of the model, including diagnosis of the relative contribution of vehicle emissions to pollution levels in the city, based on increased near-surface concentrations around weekday rush-hour times. The ability to model changes in air quality and visibility from ground level to the top of tall buildings is also demonstrated, and this has implications for energy use and environmental policies for the tall mega-cities of the future. PMID:22408531

Modeling of Aerosol Vertical Profiles Using GIS and Remote Sensing.

PubMed

Wong, Man Sing; Nichol, Janet E; Lee, Kwon Ho

2009-01-01

The use of Geographic Information Systems (GIS) and Remote Sensing (RS) by climatologists, environmentalists and urban planners for three dimensional modeling and visualization of the landscape is well established. However no previous study has implemented these techniques for 3D modeling of atmospheric aerosols because air quality data is traditionally measured at ground points, or from satellite images, with no vertical dimension. This study presents a prototype for modeling and visualizing aerosol vertical profiles over a 3D urban landscape in Hong Kong. The method uses a newly developed technique for the derivation of aerosol vertical profiles from AERONET sunphotometer measurements and surface visibility data, and links these to a 3D urban model. This permits automated modeling and visualization of aerosol concentrations at different atmospheric levels over the urban landscape in near-real time. Since the GIS platform permits presentation of the aerosol vertical distribution in 3D, it can be related to the built environment of the city. Examples are given of the applications of the model, including diagnosis of the relative contribution of vehicle emissions to pollution levels in the city, based on increased near-surface concentrations around weekday rush-hour times. The ability to model changes in air quality and visibility from ground level to the top of tall buildings is also demonstrated, and this has implications for energy use and environmental policies for the tall mega-cities of the future.

Modeling carbon cycle process of soil profile in Loess Plateau of China

NASA Astrophysics Data System (ADS)

Yu, Y.; Finke, P.; Guo, Z.; Wu, H.

2011-12-01

SoilGen2 is a process-based model, which could reconstruct soil formation under various climate conditions, parent materials, vegetation types, slopes, expositions and time scales. Both organic and inorganic carbon cycle processes could be simulated, while the later process is important in carbon cycle of arid and semi-arid regions but seldom being studied. After calibrating parameters of dust deposition rate and segments depth affecting elements transportation and deposition in the profile, modeling results after 10000 years were confronted with measurements of two soil profiles in loess plateau of China, The simulated trends of organic carbon and CaCO3 in the profile are similar to measured values. Relative sensitivity analysis for carbon cycle process have been done and the results show that the change of organic carbon in long time scale is more sensitive to precipitation, temperature, plant carbon input and decomposition parameters (decomposition rate of humus, ratio of CO2/(BIO+HUM), etc.) in the model. As for the inorganic carbon cycle, precipitation and potential evaporation are important for simulation quality, while the leaching and deposition of CaCO3 are not sensitive to pCO2 and temperature of atmosphere.

Validation of enhanced stabilization of municipal solid waste under controlled leachate recirculation using FTIR and XRD.

PubMed

Sethi, Sapna; Kothiyal, N C; Nema, Arvind K

2012-07-01

Leachate recirculation at neutral PH accompanied with buffer/nutrients addition has been used successfully in earlier stabilization of municipal solid waste in bioreactor landfills. In the present study, efforts were made to enhance the stabilization rate of municipal solid waste (MSW) and organic solid waste (OSW) in simulated landfill bioreactors by controlling the pH of recirculated leachate towards slightly alkaline side in absence of additional buffer and nutrients addition. Enhanced stabilization in waste samples was monitored with the help of analytical tools like Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray Diffraction (XRD). Predominance of bands assigned to inorganic compounds and comparatively lower intensities of bands for organic compounds in the FTIR spectra of waste samples degraded with leachate recirculation under controlled pH confirmed higher rate of biodegradation and mineralization of waste than the samples degraded without controlled leachate recirculation. XRD spectra also confirmed to a greater extent of mineralization in the waste samples degraded under leachate recirculation with controlled pH. Comparison of XRD spectra of two types of wastes pointed out higher degree of mineralization in organic solid waste as compared to municipal solid waste.

[Study on the vibrational spectra and XRD characters of Huanglong jade from Longling County, Yunnan Province].

PubMed

Pei, Jing-cheng; Fan, Lu-wei; Xie, Hao

2014-12-01

Based on the conventional test methods, the infrared absorption spectrum, Raman spectrum and X-ray diffraction (XRD) were employed to study the characters of the vibration spectrum and mineral composition of Huanglong jade. The testing results show that Huanglong jade shows typical vibrational spectrum characteristics of quartziferous jade. The main infrared absorption bands at 1162, 1076, 800, 779, 691, 530 and 466 cm(-1) were induced by the asymmetric stretching vibration, symmetrical stretching vibration and bending vibration of Si-O-Si separately. Especially the absorption band near 800 cm(-1) is split, which indicates that Huanglong jade has good crystallinity. In Raman spectrum, the main strong vibration bands at 463 and 355 cm(-1) were attributed to bending vibration of Si-O-Si. XRD test confirmed that Quartz is main mineral composition of Huanglong jade and there is a small amount of hematite in red color samples which induced the red color of Huanglong jade. This is the first report on the infrared, Raman and XRD spectra feature of Huanglong jade. It will provide a scientific basis for the identification, naming and other research for huanglong jade.

Profile control simulations and experiments on TCV: a controller test environment and results using a model-based predictive controller

NASA Astrophysics Data System (ADS)

Maljaars, E.; Felici, F.; Blanken, T. C.; Galperti, C.; Sauter, O.; de Baar, M. R.; Carpanese, F.; Goodman, T. P.; Kim, D.; Kim, S. H.; Kong, M.; Mavkov, B.; Merle, A.; Moret, J. M.; Nouailletas, R.; Scheffer, M.; Teplukhina, A. A.; Vu, N. M. T.; The EUROfusion MST1-team; The TCV-team

2017-12-01

The successful performance of a model predictive profile controller is demonstrated in simulations and experiments on the TCV tokamak, employing a profile controller test environment. Stable high-performance tokamak operation in hybrid and advanced plasma scenarios requires control over the safety factor profile (q-profile) and kinetic plasma parameters such as the plasma beta. This demands to establish reliable profile control routines in presently operational tokamaks. We present a model predictive profile controller that controls the q-profile and plasma beta using power requests to two clusters of gyrotrons and the plasma current request. The performance of the controller is analyzed in both simulation and TCV L-mode discharges where successful tracking of the estimated inverse q-profile as well as plasma beta is demonstrated under uncertain plasma conditions and the presence of disturbances. The controller exploits the knowledge of the time-varying actuator limits in the actuator input calculation itself such that fast transitions between targets are achieved without overshoot. A software environment is employed to prepare and test this and three other profile controllers in parallel in simulations and experiments on TCV. This set of tools includes the rapid plasma transport simulator RAPTOR and various algorithms to reconstruct the plasma equilibrium and plasma profiles by merging the available measurements with model-based predictions. In this work the estimated q-profile is merely based on RAPTOR model predictions due to the absence of internal current density measurements in TCV. These results encourage to further exploit model predictive profile control in experiments on TCV and other (future) tokamaks.

High temperature XRD of Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4}

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

Chetty, Raju, E-mail: rcmallik@physics.iisc.ernet.in; Mallik, Ramesh Chandra, E-mail: rcmallik@physics.iisc.ernet.in

2014-04-24

Quaternary compound with chemical composition Cu{sub 2.1}Zn{sub 0.9}SnSe{sub 4} is prepared by solid state synthesis. High temperature XRD (X-Ray Diffraction) of this compound is used in studying the effect of temperature on lattice parameters and thermal expansion coefficients. Thermal expansion coefficient is one of the important quantities in evaluating the Grüneisen parameter which further useful in determining the lattice thermal conductivity of the material. The high temperature XRD of the material revealed that the lattice parameters as well as thermal expansion coefficients of the material increased with increase in temperature which confirms the presence of anharmonicty.

Measuring and modeling the oxygen profile in a nitrifying Moving Bed Biofilm Reactor.

PubMed

Masić, Alma; Bengtsson, Jessica; Christensson, Magnus

2010-09-01

In this paper we determine the oxygen profile in a biofilm on suspended carriers in two ways: firstly by microelectrode measurements and secondly by a simple mathematical model. The Moving Bed Biofilm Reactor is well-established for wastewater treatment where bacteria grow as a biofilm on the protective surfaces of suspended carriers. The flat shaped BiofilmChip P was developed to allow good conditions for transport of substrates into the biofilm. The oxygen profile was measured in situ the nitrifying biofilm with a microelectrode and it was simulated with a one-dimensional mathematical model. We extended the model by adding a CSTR equation, to connect the reactor to the biofilm through the boundary conditions. We showed the dependence of the thickness of the mass transfer boundary layer on the bulk flow rate. Finally, we estimated the erosion parameter lambda to increase the concordance between the measured and simulated profiles. This lead to a simple empirical relationship between lambda and the flow rate. The data gathered by in situ microelectrode measurements can, together with the mathematical model, be used in predictive modeling and give more insight in the design of new carriers, with the ambition of making process operation more energy efficient. Copyright 2010 Elsevier Inc. All rights reserved.

Fine bakery wares with label claims in Europe and their categorisation by nutrient profiling models.

PubMed

Trichterborn, J; Harzer, G; Kunz, C

2011-03-01

This study assesses a range of commercially available fine bakery wares with nutrition or health related on-pack communication against the criteria of selected nutrient profiling models. Different purposes of the application of nutrient profiles were considered, including front-of-pack signposting and the regulation of claims or advertising. More than 200 commercially available fine bakery wares carrying claims were identified in Germany, France, Spain, Sweden and United Kingdom and evaluated against five nutrient profiling models. All models were assessed regarding their underlying principles, generated results and inter-model agreement levels. Total energy, saturated fatty acids, sugars, sodium and fibre were critical parameters for the categorisation of products. The Choices Programme was the most restrictive model in this category, while the Food and Drug Administration model allowed the highest number of products to qualify. According to all models, more savoury than sweet products met the criteria. On average, qualifying products contained less than half the amounts of nutrients to limit and more than double the amount of fibre compared with all the products in the study. None of the models had a significant impact on the average energy contents. Nutrient profiles can be applied to identify fine bakery wares with a significantly better nutritional composition than the average range of products positioned as healthier. Important parameters to take into account include energy, saturated fatty acids, sugars, sodium and fibre. Different criteria sets for subcategories of fine bakery wares do not seem necessary.

Modeling of breath methane concentration profiles during exercise on an ergometer*

PubMed Central

Szabó, Anna; Unterkofler, Karl; Mochalski, Pawel; Jandacka, Martin; Ruzsanyi, Vera; Szabó, Gábor; Mohácsi, Árpád; Teschl, Susanne; Teschl, Gerald; King, Julian

2016-01-01

We develop a simple three compartment model based on mass balance equations which quantitatively describes the dynamics of breath methane concentration profiles during exercise on an ergometer. With the help of this model it is possible to estimate the endogenous production rate of methane in the large intestine by measuring breath gas concentrations of methane. PMID:26828421

Mineralogical Composition of the Mexican Ordinary Chondrite Type Meteorite: A Raman, Infrared and XRD Study

NASA Astrophysics Data System (ADS)

Ostrooumov, M.

2016-08-01

The Raman microprobe (RMP), infrared (IR) and XRD analysis have been applied to the examination of mineralogical composition of seven mexican meteorites: Aldama, Cosina, El Pozo, Escalon, Nuevo Mercurio,Pacula, Zapotitlan Salinas.

Variability of O3 and NO2 profile shapes during DISCOVER-AQ: Implications for satellite observations and comparisons to model-simulated profiles

NASA Astrophysics Data System (ADS)

Flynn, Clare Marie; Pickering, Kenneth E.; Crawford, James H.; Weinheimer, Andrew J.; Diskin, Glenn; Thornhill, K. Lee; Loughner, Christopher; Lee, Pius; Strode, Sarah A.

2016-12-01

interruptions to this connection from complex meteorology, chemical environments, or orography. The regional CMAQ model captured the shape factors for O3, and moderately well captured the NO2 shape factors, for the conditions associated with the Maryland campaign, suggesting that a regional air quality model may adequately specify a priori profile shapes for remote sensing retrievals. CMAQ shape factor profiles were not as well represented for the other regions.

Comparative investigation of Fourier Transform Infrared (FT-IR) spectroscopy and X-ray Diffraction (XRD) in the determination of cotton fiber crystallinity

USDA-ARS?s Scientific Manuscript database

Despite considerable efforts in developing the curve-fitting protocol to evaluate the crystallinity index (CI) from the X-ray diffraction (XRD) measurement, in its present state XRD procedure can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous po...

CPHmodels-3.0--remote homology modeling using structure-guided sequence profiles.

PubMed

Nielsen, Morten; Lundegaard, Claus; Lund, Ole; Petersen, Thomas Nordahl

2010-07-01

CPHmodels-3.0 is a web server predicting protein 3D structure by use of single template homology modeling. The server employs a hybrid of the scoring functions of CPHmodels-2.0 and a novel remote homology-modeling algorithm. A query sequence is first attempted modeled using the fast CPHmodels-2.0 profile-profile scoring function suitable for close homology modeling. The new computational costly remote homology-modeling algorithm is only engaged provided that no suitable PDB template is identified in the initial search. CPHmodels-3.0 was benchmarked in the CASP8 competition and produced models for 94% of the targets (117 out of 128), 74% were predicted as high reliability models (87 out of 117). These achieved an average RMSD of 4.6 A when superimposed to the 3D structure. The remaining 26% low reliably models (30 out of 117) could superimpose to the true 3D structure with an average RMSD of 9.3 A. These performance values place the CPHmodels-3.0 method in the group of high performing 3D prediction tools. Beside its accuracy, one of the important features of the method is its speed. For most queries, the response time of the server is <20 min. The web server is available at http://www.cbs.dtu.dk/services/CPHmodels/.

[NIR and XRD analysis of drill-hole samples from Zhamuaobao iron-graphite deposit, Inner Mongolia].

PubMed

Li, Ying-kui; Cao, Jian-jin; Wu, Zheng-quan; Dai, Dong-le; Lin, Zu-xu

2015-01-01

The author analyzed the 4202 drill-hole samples from Zhamuaobao iron-graphite deposit by using near infrared spectroscopy(NIR) and X-ray diffraction(XRD) measuring and testing techniques, and then compared and summarized the results of two kinds of testing technology. The results indicate that some difference of the mineral composition exists among different layers, the lithology from upper to deeper is the clay gravel layer of tertiary and quaternary, mudstone, mica quartz schist, quartz actinolite scarn, skarnization marble, iron ore deposits, graphite deposits and mica quartz schist. The petrogenesis in different depth also shows difference, which may indicate the geological characteristic to some extent. The samples had mainly undergone such processes as oxidization, carbonation, chloritization and skarn alteration. The research results can not only improve the geological feature of the mining area, but also have great importance in ore exploration, mining, mineral processing and so on. What's more, as XRD can provide preliminary information about the mineral composition, NIR can make further judgement on the existence of the minerals. The research integrated the advantages of both NIR and XRD measuring and testing techniques, put forward a method with two kinds of modern testing technology combined with each other, which may improve the accuracy of the mineral composition identification. In the meantime, the NIR will be more wildly used in geography on the basis of mineral spectroscopy.

Diagnostic Profiles: A Standard Setting Method for Use with a Cognitive Diagnostic Model

ERIC Educational Resources Information Center

Skaggs, Gary; Hein, Serge F.; Wilkins, Jesse L. M.

2016-01-01

This article introduces the Diagnostic Profiles (DP) standard setting method for setting a performance standard on a test developed from a cognitive diagnostic model (CDM), the outcome of which is a profile of mastered and not-mastered skills or attributes rather than a single test score. In the DP method, the key judgment task for panelists is a…

The personality context of relational aggression: A Five-Factor Model profile analysis.

PubMed

Reardon, Kathleen W; Tackett, Jennifer L; Lynam, Don

2018-05-01

Relational aggression (RAgg) is a form of behavior intended to damage the victim's social status or interpersonal relationships through the use of purposeful interpersonal manipulation or social exclusion (Archer & Coyne, 2005). RAgg is impairing, stable, and largely defined by dysfunctional patterns of interpersonal interactions-all of which invokes comparisons to personality and, more specifically, personality pathology. Leveraging research using the Five Factor Model (FFM) in personality disorder (PD) work, the present study aims to understand the personality context of RAgg by applying this FFM profile approach in 2 ways: (a) by compiling a personality profile of RAgg based on a thorough review of the relevant literature and (b) by compiling a personality profile of RAgg based on expert ratings (N = 19). We then compared these profiles to each other and to existing personality profiles of Cluster B PDs to examine how RAgg fits into the personality space represented by Cluster B PDs. These analyses indicate that both FFM profiles of RAgg show substantial overlap with the FFM profile of narcissistic PD. The present study has important implications for bridging disjointed domains of research on personality pathology and RAgg and underscores the relevance of RAgg for early emergence of PD characteristics. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Profiles in Leadership: Enhancing Learning through Model and Theory Building.

ERIC Educational Resources Information Center

Mello, Jeffrey A.

2003-01-01

A class assignment was designed to present factors affecting leadership dynamics, allow practice in model and theory building, and examine leadership from multicultural perspectives. Students developed a profile of a fictional or real leader and analyzed qualities, motivations, context, and effectiveness in written and oral presentations.…

[Infrared spectroscopy and XRD studies of coral fossils].

PubMed

Chen, Quan-li; Zhou, Guan-min; Yin, Zuo-wei

2012-08-01

Coral fossil is an old remain of multicellular animal on the earth, and formed by various geological processes. The structural characteristics and compositions of the coral fossils with different color and radial texture on the surface were studied by infrared absorption spectroscopy and X-ray powder diffraction analyses. The results show that the studied coral fossils mainly are composed of SiO2, and the radial microstructure characterized by the calcareous coral cross-section is preserved. It is formed by metasomatism by SiO2. The infrared absorption spectra of the coral fossil with different color and texture are essentially the same, showing typical infrared absorption spectra of the quartz jade. XRD analysis shows that the main components of the coral fossils with different color and texture are consistent and mainly composed of SiO2 with a trace amount of other minerals and without CaCO3.

Numerical modeling of the elution peak profiles of retained solutes in supercritical fluid chromatography

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

Kaczmarski, Krzysztof; Guiochon, Georges A

2011-01-01

In supercritical fluid chromatography (SFC), the significant expansion of the mobile phase along the column causes the formation of axial and radial gradients of temperature. Due to these gradients, the mobile phase density, its viscosity, its velocity, its diffusion coefficients, etc. are not constant throughout the column. This results in a nonuniform flow velocity distribution, itself causing a loss of column efficiency in certain cases, even at low flow rates, as they do in HPLC. At high flow rates, an important deformation of the elution profiles of the sample components may occur. The model previously used to account satisfactorily formore » the retention of an unsorbed solute in SFC is applied to the modeling of the elution peak profiles of retained compounds. The numerical solution of the combined heat and mass balance equations provides the temperature and the pressure profiles inside the column and values of the retention time and the band profiles of retained compounds that are in excellent agreement with independent experimental data for large value of mobile phase reduced density. At low reduced densities, the band profiles can strongly depend on the column axial distribution of porosity.« less

Clustering of time-course gene expression profiles using normal mixture models with autoregressive random effects

PubMed Central

2012-01-01

Background Time-course gene expression data such as yeast cell cycle data may be periodically expressed. To cluster such data, currently used Fourier series approximations of periodic gene expressions have been found not to be sufficiently adequate to model the complexity of the time-course data, partly due to their ignoring the dependence between the expression measurements over time and the correlation among gene expression profiles. We further investigate the advantages and limitations of available models in the literature and propose a new mixture model with autoregressive random effects of the first order for the clustering of time-course gene-expression profiles. Some simulations and real examples are given to demonstrate the usefulness of the proposed models. Results We illustrate the applicability of our new model using synthetic and real time-course datasets. We show that our model outperforms existing models to provide more reliable and robust clustering of time-course data. Our model provides superior results when genetic profiles are correlated. It also gives comparable results when the correlation between the gene profiles is weak. In the applications to real time-course data, relevant clusters of coregulated genes are obtained, which are supported by gene-function annotation databases. Conclusions Our new model under our extension of the EMMIX-WIRE procedure is more reliable and robust for clustering time-course data because it adopts a random effects model that allows for the correlation among observations at different time points. It postulates gene-specific random effects with an autocorrelation variance structure that models coregulation within the clusters. The developed R package is flexible in its specification of the random effects through user-input parameters that enables improved modelling and consequent clustering of time-course data. PMID:23151154

Two different approaches to the affective profiles model: median splits (variable-oriented) and cluster analysis (person-oriented).

PubMed

Garcia, Danilo; MacDonald, Shane; Archer, Trevor

2015-01-01

Background. The notion of the affective system as being composed of two dimensions led Archer and colleagues to the development of the affective profiles model. The model consists of four different profiles based on combinations of individuals' experience of high/low positive and negative affect: self-fulfilling, low affective, high affective, and self-destructive. During the past 10 years, an increasing number of studies have used this person-centered model as the backdrop for the investigation of between and within individual differences in ill-being and well-being. The most common approach to this profiling is by dividing individuals' scores of self-reported affect using the median of the population as reference for high/low splits. However, scores just-above and just-below the median might become high and low by arbitrariness, not by reality. Thus, it is plausible to criticize the validity of this variable-oriented approach. Our aim was to compare the median splits approach with a person-oriented approach, namely, cluster analysis. Method. The participants (N = 2, 225) were recruited through Amazons' Mechanical Turk and asked to self-report affect using the Positive Affect Negative Affect Schedule. We compared the profiles' homogeneity and Silhouette coefficients to discern differences in homogeneity and heterogeneity between approaches. We also conducted exact cell-wise analyses matching the profiles from both approaches and matching profiles and gender to investigate profiling agreement with respect to affectivity levels and affectivity and gender. All analyses were conducted using the ROPstat software. Results. The cluster approach (weighted average of cluster homogeneity coefficients = 0.62, Silhouette coefficients = 0.68) generated profiles with greater homogeneity and more distinctive from each other compared to the median splits approach (weighted average of cluster homogeneity coefficients = 0.75, Silhouette coefficients = 0.59). Most of the

Activated sludge pilot plant: comparison between experimental and predicted concentration profiles using three different modelling approaches.

PubMed

Le Moullec, Y; Potier, O; Gentric, C; Leclerc, J P

2011-05-01

This paper presents an experimental and numerical study of an activated sludge channel pilot plant. Concentration profiles of oxygen, COD, NO(3) and NH(4) have been measured for several operating conditions. These profiles have been compared to the simulated ones with three different modelling approaches, namely a systemic approach, CFD and compartmental modelling. For these three approaches, the kinetics model was the ASM-1 model (Henze et al., 2001). The three approaches allowed a reasonable simulation of all the concentration profiles except for ammonium for which the simulations results were far from the experimental ones. The analysis of the results showed that the role of the kinetics model is of primary importance for the prediction of activated sludge reactors performance. The fact that existing kinetics parameters in the literature have been determined by parametric optimisation using a systemic model limits the reliability of the prediction of local concentrations and of the local design of activated sludge reactors. Copyright © 2011 Elsevier Ltd. All rights reserved.

Identification and classification of conopeptides using profile Hidden Markov Models.

PubMed

Laht, Silja; Koua, Dominique; Kaplinski, Lauris; Lisacek, Frédérique; Stöcklin, Reto; Remm, Maido

2012-03-01

Conopeptides are small toxins produced by predatory marine snails of the genus Conus. They are studied with increasing intensity due to their potential in neurosciences and pharmacology. The number of existing conopeptides is estimated to be 1 million, but only about 1000 have been described to date. Thanks to new high-throughput sequencing technologies the number of known conopeptides is likely to increase exponentially in the near future. There is therefore a need for a fast and accurate computational method for identification and classification of the novel conopeptides in large data sets. 62 profile Hidden Markov Models (pHMMs) were built for prediction and classification of all described conopeptide superfamilies and families, based on the different parts of the corresponding protein sequences. These models showed very high specificity in detection of new peptides. 56 out of 62 models do not give a single false positive in a test with the entire UniProtKB/Swiss-Prot protein sequence database. Our study demonstrates the usefulness of mature peptide models for automatic classification with accuracy of 96% for the mature peptide models and 100% for the pro- and signal peptide models. Our conopeptide profile HMMs can be used for finding and annotation of new conopeptides from large datasets generated by transcriptome or genome sequencing. To our knowledge this is the first time this kind of computational method has been applied to predict all known conopeptide superfamilies and some conopeptide families. Copyright © 2012 Elsevier B.V. All rights reserved.

Profiler - A Fast and Versatile New Program for Decomposing Galaxy Light Profiles

NASA Astrophysics Data System (ADS)

Ciambur, Bogdan C.

2016-12-01

I introduce Profiler, a user-friendly program designed to analyse the radial surface brightness profiles of galaxies. With an intuitive graphical user interface, Profiler can accurately model galaxies of a broad range of morphological types, with various parametric functions routinely employed in the field (Sérsic, core-Sérsic, exponential, Gaussian, Moffat, and Ferrers). In addition to these, Profiler can employ the broken exponential model for disc truncations or anti-truncations, and two special cases of the edge-on disc model: along the disc's major or minor axis. The convolution of (circular or elliptical) models with the point spread function is performed in 2D, and offers a choice between Gaussian, Moffat or a user-provided profile for the point spread function. Profiler is optimised to work with galaxy light profiles obtained from isophotal measurements, which allow for radial gradients in the geometric parameters of the isophotes, and are thus often better at capturing the total light than 2D image-fitting programs. Additionally, the 1D approach is generally less computationally expensive and more stable. I demonstrate Profiler's features by decomposing three case-study galaxies: the cored elliptical galaxy NGC 3348, the nucleated dwarf Seyfert I galaxy Pox 52, and NGC 2549, a double-barred galaxy with an edge-on, truncated disc.

Profile models for estimating log end diameters in the Rocky Mountain Region

Treesearch

Raymond L. Czaplewski; Amy S. Brown; Raymond C. Walker

1989-01-01

The segmented polynomial stem profile model of Max and Burkhart was applied to seven tree species in the Rocky Mountain Region of the Forest Service. Errors were reduced over the entire data set by use of second-stage models that adjust for transformation bias and explained weak patterns in the residual diameter predictions.

X-Ray Diffraction (XRD) Characterization Methods for Sigma=3 Twin Defects in Cubic Semiconductor (100) Wafers

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Kim, Hyun Jung (Inventor); Skuza, Jonathan R. (Inventor); Lee, Kunik (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor)

2017-01-01

An X-ray defraction (XRD) characterization method for sigma=3 twin defects in cubic semiconductor (100) wafers includes a concentration measurement method and a wafer mapping method for any cubic tetrahedral semiconductor wafers including GaAs (100) wafers and Si (100) wafers. The methods use the cubic semiconductor's (004) pole figure in order to detect sigma=3/{111} twin defects. The XRD methods are applicable to any (100) wafers of tetrahedral cubic semiconductors in the diamond structure (Si, Ge, C) and cubic zinc-blend structure (InP, InGaAs, CdTe, ZnSe, and so on) with various growth methods such as Liquid Encapsulated Czochralski (LEC) growth, Molecular Beam Epitaxy (MBE), Organometallic Vapor Phase Epitaxy (OMVPE), Czochralski growth and Metal Organic Chemical Vapor Deposition (MOCVD) growth.

Alterations of urinary metabolite profile in model diabetic nephropathy

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

Stec, Donald F.; Wang, Suwan; Stothers, Cody

2015-01-09

Highlights: • {sup 1}H NMR spectroscopy was employed to study urinary metabolite profile in diabetic mouse models. • Mouse urinary metabolome showed major changes that are also found in human diabetic nephropathy. • These models can be new tools to study urinary biomarkers that are relevant to human disease. - Abstract: Countering the diabetes pandemic and consequent complications, such as nephropathy, will require better understanding of disease mechanisms and development of new diagnostic methods. Animal models can be versatile tools in studies of diabetic renal disease when model pathology is relevant to human diabetic nephropathy (DN). Diabetic models using endothelialmore » nitric oxide synthase (eNOS) knock-out mice develop major renal lesions characteristic of human disease. However, it is unknown whether they can also reproduce changes in urinary metabolites found in human DN. We employed Type 1 and Type 2 diabetic mouse models of DN, i.e. STZ-eNOS{sup −/−} C57BLKS and eNOS{sup −/−} C57BLKS db/db, with the goal of determining changes in urinary metabolite profile using proton nuclear magnetic resonance (NMR). Six urinary metabolites with significantly lower levels in diabetic compared to control mice have been identified. Specifically, major changes were found in metabolites from tricarboxylic acid (TCA) cycle and aromatic amino acid catabolism including 3-indoxyl sulfate, cis-aconitate, 2-oxoisocaproate, N-phenyl-acetylglycine, 4-hydroxyphenyl acetate, and hippurate. Levels of 4-hydroxyphenyl acetic acid and hippuric acid showed the strongest reverse correlation to albumin-to-creatinine ratio (ACR), which is an indicator of renal damage. Importantly, similar changes in urinary hydroxyphenyl acetate and hippurate were previously reported in human renal disease. We demonstrated that STZ-eNOS{sup −/−} C57BLKS and eNOS{sup −/−} C57BLKS db/db mouse models can recapitulate changes in urinary metabolome found in human DN and therefore can

Modeling the effect of dune sorting on the river long profile

NASA Astrophysics Data System (ADS)

Blom, A.

2012-12-01

River dunes, which occur in low slope sand bed and sand-gravel bed rivers, generally show a downward coarsening pattern due to grain flows down their avalanche lee faces. These grain flows cause coarse particles to preferentially deposit at lower elevations of the lee face, while fines show a preference for its upper elevations. Before considering the effect of this dune sorting mechanism on the river long profile, let us first have a look at some general trends along the river profile. Tributaries increasing the river's water discharge in streamwise direction also cause a streamwise increase in flow depth. As under subcritical conditions mean dune height generally increases with increasing flow depth, the dune height shows a streamwise increase, as well. This means that also the standard deviation of bedform height increases in streamwise direction, as in earlier work it was found that the standard deviation of bedform height linearly increases with an increasing mean value of bedform height. As a result of this streamwise increase in standard deviation of dune height, the above-mentioned dune sorting then results in a loss of coarse particles to the lower elevations of the bed that are less and even rarely exposed to the flow. This loss of coarse particles to lower elevations thus increases the rate of fining in streamwise direction. As finer material is more easily transported downstream than coarser material, a smaller bed slope is required to transport the same amount of sediment downstream. This means that dune sorting adds to river profile concavity, compared to the combined effect of abrasion, selective transport and tributaries. A Hirano-type mass conservation model is presented that deals with dune sorting. The model includes two active layers: a bedform layer representing the sediment in the bedforms and a coarse layer representing the coarse and less mobile sediment underneath migrating bedforms. The exposure of the coarse layer is governed by the rate

PyLDTk: Python toolkit for calculating stellar limb darkening profiles and model-specific coefficients for arbitrary filters

NASA Astrophysics Data System (ADS)

Parviainen, Hannu

2015-10-01

PyLDTk automates the calculation of custom stellar limb darkening (LD) profiles and model-specific limb darkening coefficients (LDC) using the library of PHOENIX-generated specific intensity spectra by Husser et al. (2013). It facilitates exoplanet transit light curve modeling, especially transmission spectroscopy where the modeling is carried out for custom narrow passbands. PyLDTk construct model-specific priors on the limb darkening coefficients prior to the transit light curve modeling. It can also be directly integrated into the log posterior computation of any pre-existing transit modeling code with minimal modifications to constrain the LD model parameter space directly by the LD profile, allowing for the marginalization over the whole parameter space that can explain the profile without the need to approximate this constraint by a prior distribution. This is useful when using a high-order limb darkening model where the coefficients are often correlated, and the priors estimated from the tabulated values usually fail to include these correlations.

Modeling of Thickness and Profile Uniformity of Thermally Sprayed Coatings Deposited on Cylinders

NASA Astrophysics Data System (ADS)

Yanjun, Zhang; Wenbo, Li; Dayu, Li; Jinkun, Xiao; Chao, Zhang

2018-02-01

In thermal spraying processes, kinematic parameters of the robot play a decisive role in the coating thickness and profile. In this regard, some achievements have been made to optimize the spray trajectory on flat surfaces. However, few reports have focused on nonholonomic or variable-curvature cylindrical surfaces. The aim of this study is to investigate the correlation between the coating profile, coating thickness, and scanning step, which is determined by the radius of curvature and scanning angle. A mathematical simulation model was developed to predict the thickness of thermally sprayed coatings. Experiments were performed on cylinders with different radiuses of curvature to evaluate the predictive ability of the model.

Creating realistic models and resolution assessment in tomographic inversion of wide-angle active seismic profiling data

NASA Astrophysics Data System (ADS)

Stupina, T.; Koulakov, I.; Kopp, H.

2009-04-01

We consider questions of creating structural models and resolution assessment in tomographic inversion of wide-angle active seismic profiling data. For our investigations, we use the PROFIT (Profile Forward and Inverse Tomographic modeling) algorithm which was tested earlier with different datasets. Here we consider offshore seismic profiling data from three areas (Chile, Java and Central Pacific). Two of the study areas are characterized by subduction zones whereas the third data set covers a seamount province. We have explored different algorithmic issues concerning the quality of the solution, such as (1) resolution assessment using different sizes and complexity of synthetic anomalies; (2) grid spacing effects; (3) amplitude damping and smoothing; (4) criteria for rejection of outliers; (5) quantitative criteria for comparing models. Having determined optimal algorithmic parameters for the observed seismic profiling data we have created structural synthetic models which reproduce the results of the observed data inversion. For the Chilean and Java subduction zones our results show similar patterns: a relatively thin sediment layer on the oceanic plate, thicker inhomogeneous sediments in the overlying plate and a large area of very strong low velocity anomalies in the accretionary wedge. For two seamounts in the Pacific we observe high velocity anomalies in the crust which can be interpreted as frozen channels inside the dormant volcano cones. Along both profiles we obtain considerable crustal thickening beneath the seamounts.

Trace elemental analysis of Indian natural moonstone gems by PIXE and XRD techniques.

PubMed

Venkateswara Rao, R; Venkateswarulu, P; Kasipathi, C; Sivajyothi, S

2013-12-01

A selected number of Indian Eastern Ghats natural moonstone gems were studied with a powerful nuclear analytical and non-destructive Proton Induced X-ray Emission (PIXE) technique. Thirteen elements, including V, Co, Ni, Zn, Ga, Ba and Pb, were identified in these moonstones and may be useful in interpreting the various geochemical conditions and the probable cause of their inceptions in the moonstone gemstone matrix. Furthermore, preliminary XRD studies of different moonstone patterns were performed. The PIXE technique is a powerful method for quickly determining the elemental concentration of a substance. A 3MeV proton beam was employed to excite the samples. The chemical constituents of moonstones from parts of the Eastern Ghats geological formations of Andhra Pradesh, India were determined, and gemological studies were performed on those gems. The crystal structure and the lattice parameters of the moonstones were estimated using X-Ray Diffraction studies, trace and minor elements were determined using the PIXE technique, and major compositional elements were confirmed by XRD. In the present work, the usefulness and versatility of the PIXE technique for research in geo-scientific methodology is established. © 2013 Elsevier Ltd. All rights reserved.

Observed and Modeled HOCl Profiles in the Midlatitude Stratosphere: Implication for Ozone Loss

NASA Technical Reports Server (NTRS)

Kovalenko, L. J.; Jucks, K. W.; Salawitch, R. J.; Toon, G. C.; Blavier, J. F.; Johnson, D. G.; Kleinbohl, A.; Livesey, N. J .; Margitan, J. J.; Pickett, H. M.;

Update of aircraft profile data for the Integrated Noise Model computer program, vol 1: final report

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, aircraft aerodynamic performance coefficients and engine performance coefficients for the aircraft data base (Database 9) in the Integrated Noise Model (INM) computer program. Flight profile...

Predicting Drug Concentration‐Time Profiles in Multiple CNS Compartments Using a Comprehensive Physiologically‐Based Pharmacokinetic Model

PubMed Central

Yamamoto, Yumi; Välitalo, Pyry A.; Huntjens, Dymphy R.; Proost, Johannes H.; Vermeulen, An; Krauwinkel, Walter; Beukers, Margot W.; van den Berg, Dirk‐Jan; Hartman, Robin; Wong, Yin Cheong; Danhof, Meindert; van Hasselt, John G. C.

2017-01-01

Drug development targeting the central nervous system (CNS) is challenging due to poor predictability of drug concentrations in various CNS compartments. We developed a generic physiologically based pharmacokinetic (PBPK) model for prediction of drug concentrations in physiologically relevant CNS compartments. System‐specific and drug‐specific model parameters were derived from literature and in silico predictions. The model was validated using detailed concentration‐time profiles from 10 drugs in rat plasma, brain extracellular fluid, 2 cerebrospinal fluid sites, and total brain tissue. These drugs, all small molecules, were selected to cover a wide range of physicochemical properties. The concentration‐time profiles for these drugs were adequately predicted across the CNS compartments (symmetric mean absolute percentage error for the model prediction was <91%). In conclusion, the developed PBPK model can be used to predict temporal concentration profiles of drugs in multiple relevant CNS compartments, which we consider valuable information for efficient CNS drug development. PMID:28891201

Visual Modelling of Data Warehousing Flows with UML Profiles

NASA Astrophysics Data System (ADS)

Pardillo, Jesús; Golfarelli, Matteo; Rizzi, Stefano; Trujillo, Juan

Data warehousing involves complex processes that transform source data through several stages to deliver suitable information ready to be analysed. Though many techniques for visual modelling of data warehouses from the static point of view have been devised, only few attempts have been made to model the data flows involved in a data warehousing process. Besides, each attempt was mainly aimed at a specific application, such as ETL, OLAP, what-if analysis, data mining. Data flows are typically very complex in this domain; for this reason, we argue, designers would greatly benefit from a technique for uniformly modelling data warehousing flows for all applications. In this paper, we propose an integrated visual modelling technique for data cubes and data flows. This technique is based on UML profiling; its feasibility is evaluated by means of a prototype implementation.

Thermal behavior of polyhalite: a high-temperature synchrotron XRD study

DOE PAGES

Xu, Hongwu; Guo, Xiaofeng; Bai, Jianming

2016-09-17

As an accessory mineral in marine evaporites, polyhalite, K 2MgCa 2(SO 4) 4·2H 2O, coexists with halite (NaCl) in salt formations, which have been considered as potential repositories for permanent storage of high-level nuclear wastes. However, because of the heat generated by radioactive decays in the wastes, polyhalite may dehydrate, and the released water will dissolve its neighboring salt, potentially affecting the repository integrity. Thus, studying the thermal behavior of polyhalite is important. In this paper, a polyhalite sample containing a small amount of halite was collected from the Salado formation at the WIPP site in Carlsbad, New Mexico. Tomore » determine its thermal behavior, in situ high-temperature synchrotron X-ray diffraction was conducted from room temperature to 1066 K with the sample powders sealed in a silica-glass capillary. At about 506 K, polyhalite started to decompose into water vapor, anhydrite (CaSO 4) and two langbeinite-type phases, K 2Ca x Mg 2-x (SO 4) 3, with different Ca/Mg ratios. XRD peaks of the minor halite disappeared, presumably due to its dissolution by water vapor. With further increasing temperature, the two langbeinite solid solution phases displayed complex variations in crystallinity, composition and their molar ratio and then were combined into the single-phase triple salt, K 2CaMg(SO 4) 3, at ~919 K. Rietveld analyses of the XRD data allowed determination of structural parameters of polyhalite and its decomposed anhydrite and langbeinite phases as a function of temperature. Finally, from the results, the thermal expansion coefficients of these phases have been derived, and the structural mechanisms of their thermal behavior been discussed.« less

Application of a range of turbulence energy models to the determination of M4 tidal current profiles

NASA Astrophysics Data System (ADS)

Xing, Jiuxing; Davies, Alan M.

1996-04-01

A fully nonlinear, three-dimensional hydrodynamic model of the Irish Sea, using a range of turbulence energy sub-models, is used to examine the influence of the turbulence closure method upon the vertical variation of the current profile of the fundamental and higher harmonics of the tide in the region. Computed tidal current profiles are compared with previous calculations using a spectral model with eddy viscosity related to the flow field. The model has a sufficiently fine grid to resolve the advection terms, in particular the advection of turbulence and momentum. Calculations show that the advection of turbulence energy does not have a significant influence upon the current profile of either the fundamental or higher harmonic of the tide, although the advection of momentum is important in the region of headlands. The simplification of the advective terms by only including them in their vertically integrated form does not appear to make a significant difference to current profiles, but does reduce the computational effort by a significant amount. Computed current profiles both for the fundamental and the higher harmonic determined with a prognostic equation for turbulence and an algebraic mixing length formula, are as accurate as those determined with a two prognostic equation model (the so called q2- q2l model), provided the mixing length is specified correctly. A simple, flow-dependent eddy viscosity with a parabolic variation of viscosity also performs equally well.

The Scientific Theory Profile: A Philosophy of Science Model for Science Teachers.

ERIC Educational Resources Information Center

Loving, Cathleen

The model developed for use with science teachers--called the Scientific Theory Profile--consists of placing three well-known philosophers of science on a grid, with the x-axis being their methods for judging theories (rational vs. natural) and the y-axis being their views on scientific theories representing the Truth versus mere models of what…

XRD, SEM and infrared study into the intercalation of sodium hexadecyl sulfate (SHS) into hydrocalumite.

PubMed

Zhang, Ping; Wang, Tianqi; Zhang, Longlong; Wu, Daishe; Frost, Ray L

2015-12-05

Hydrocalumite (CaAl-LDH-Cl) interacted with a natural anionic surfactant, sodium hexadecyl sulfate (SHS), was performed using an intercalation method. To understand the intercalation behavior and characterize the resulting products, powder X-ray diffraction (XRD), scan electron microscopy (SEM) and mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy technique were used. The XRD analysis indicated that SHS was intercalated into CaAl-LDH-Cl successfully, resulting in an expansion of the interlayer (from 0.78 nm to 2.74 nm). The bands of C-H stretching vibrations of SHS were observed in the near-infrared spectra, which indicated that the resulting products were indeed CaAl-LDH-SHS. In addition, the bands of water stretching vibrations and OH groups shifted to higher wavenumbers when SHS was intercalated into CaAl-LDH-Cl interlayer space. Copyright © 2015 Elsevier B.V. All rights reserved.

Modeling the Influence of Conductivity Profiles on Red Sprite Formation and Structure

NASA Astrophysics Data System (ADS)

Tonev, P.; Velinov, P.

Strong quasi-electrostatic fields generated in the mesosphere and lower ionosphere after a lightning discharge by a succeeding redistribution of the induced spatial charges, are considered to be responsible for red sprite generation. Factors considered here as important for sprite occurrence and size and shape are the discharge parameters and conductivity profile. Thundercloud charges are assumed to be of hundreds of Coulombs distributed within layers with a horizontal extent of tens (or hundreds) of kilometers as typical for big convective multi-cell systems. Cloud- t o -ground positive strokes, characterized by their charge moment change, are considered, and the large continuing currents are taken into account. The thermal breakdown mechanism is considered as responsible for sprite onset. The conditions under which sprites initially occur (i.e. when atmospheric parameters are not disturbed) and their spatial and temporal characteristics are studied in dependence on the conductivity profiles. A self-consistent analytical modeling is proposed for this purpose. Maxwell equations are applied under quasi-electrostatic conditions, when magnetic field component is neglected and the electric field is assumed to be a potential one. The features of a lightning discharge as well as of conductivity profiles (including the slight anisotropy in lower ionosphere) are taken into account in the model. The conductivity profiles are approximated between 0 and 100 km by stepwise profiles, defined on layered atmosphere with ~100 layers. Horizontal conductivity variations occurring at sprite heights (50-90 km) due to electron heating and ionization are represented in the model by a stepped functions in each layer. Continuity of the electrical current density component normal to each sector boundary is required. Results obtained show that for sprite occurrence in daytime conditions larger lightning charge moment change of the parent discharge is needed and sprites are lower localized

XRD and EBSD analysis of anisotropic microstructure development in cold rolled F138 stainless steel

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

De Vincentis, N.S., E-mail: devincentis@ifir-conic

The microstructural characteristics of deformation-processed materials highly influence their mechanical properties. For a complete characterization of a microstructure both local and global information must be gathered, which requires the combination of different analysis techniques. X-ray and Electron Backscatter Diffraction were used in the present paper to characterize the deformation induced in a cold rolled F138 austenitic stainless steel sample. The results obtained using laboratory and synchrotron X-ray sources were compared and combined with EBSD quantitative results, allowing the global and local characterization and orientation dependence of the deformation microstructure. A particular behavior was observed in the XRD data corresponding tomore » the planes with < 220 >∥ ND, likely due to a smaller amount of defects accumulated in the crystals with that particular orientation. EBSD was used to separate the scans data into partitions and to calculate misorientation variables and parameters, showing that this behavior can be attributed to a combination of larger grain sizes, lower local boundary misorientations and dislocation densities for crystals having < 220 >∥ ND. Several conclusions, of general validity for the evaluation of microstructure anisotropy, can be extracted from the results. - Highlights: •Combined XRD and EBSD for studying microstructure gave a superb insight on anisotropic accumulation of defects. •W-H and CMWP methods were applied for checking consistency of results. •XRD showed that a smaller accumulation of defects occurred in crystals with < 220 >∥ ND. •High brilliance X-ray beam allowed to study the anisotropy of defect accumulation.« less

Development of a procedure to model high-resolution wind profiles from smoothed or low-frequency data

NASA Technical Reports Server (NTRS)

Camp, D. W.

1977-01-01

The derivation of simulated Jimsphere wind profiles from low-frequency rawinsonde data and a generated set of white noise data are presented. A computer program is developed to model high-resolution wind profiles based on the statistical properties of data from the Kennedy Space Center, Florida. Comparison of the measured Jimsphere data, rawinsonde data, and the simulated profiles shows excellent agreement.

Composition and microstructure of MTA and Aureoseal Plus: XRF, EDS, XRD and FESEM evaluation.

PubMed

Cianconi, L; Palopoli, P; Campanella, V; Mancini, M

2016-12-01

The aim of this study was to determine the chemical composition and the phases' microstructure of Aureoseal Plus (OGNA, Italy) and ProRoot MTA (Dentsply Tulsa Dental, USA) and to compare their characteristics. Study Design: Comparing Aureoseal Plus and ProRoot MTA microstructure by means of several analyses type. The chemical analysis of the two cements was assessed following the UNI EN ISO 196-2 norm. X-Ray fluorescence (XRF) was used to determine the element composition. The crystalline structure was analysed quantitatively using x-ray diffraction (XRD). Powders morphology was evaluated using a scanning electron microscope (SEM) with backscattering detectors, and a field emission scanning electron microscope (FESEM). Elemental analysis was performed by energy dispersive x-ray analysis (EDS). The semi-quantitative XRF analysis showed the presence of heavy metal oxides in both cements. The XRD spectra of the two cements reported the presence of dicalcium silicate, tricalcium silicate, tricalcium aluminate, tetracalcium aluminoferrite, bismuth oxide and gypsum. SEM analysis showed that ProRoot MTA powder is less coarse and more homogeneous than Aureoseal. Both powders are formed by particles of different shapes: round, prismatic and oblong. The EDS analysis showed that some ProRoot MTA particles, differently from Aureoseal, contain Ca, Si, Al and Fe. Oblong particles in ProRoot and Aureoseal are rich of bismuth. The strong interest in developing new Portland cement-based endodontic sealers will create materials with increased handling characteristics and physicochemical properties. A thorough investigation on two cement powders was carried out by using XRF, XRD, SEM and EDS analysis. To date there was a lack of studies on Aureoseal Plus. This cement is similar in composition to ProRoot MTA. Despite that it has distinctive elements that could improve its characteristics, resulting in a good alternative to MTA.

Accuracy, reproducibility, and interpretation of fatty acid methyl ester profiles of model bacterial communities

USGS Publications Warehouse

Kidd, Haack S.; Garchow, H.; Odelson, D.A.; Forney, L.J.; Klug, M.J.

1994-01-01

We determined the accuracy and reproducibility of whole-community fatty acid methyl ester (FAME) analysis with two model bacterial communities differing in composition by using the Microbial ID, Inc. (MIDI), system. The biomass, taxonomic structure, and expected MIDI-FAME profiles under a variety of environmental conditions were known for these model communities a priori. Not all members of each community could be detected in the composite profile because of lack of fatty acid 'signatures' in some isolates or because of variations (approximately fivefold) in fatty acid yield across taxa. MIDI- FAME profiles of replicate subsamples of a given community were similar in terms of fatty acid yield per unit of community dry weight and relative proportions of specific fatty acids. Principal-components analysis (PCA) of MIDI-FAME profiles resulted in a clear separation of the two different communities and a clustering of replicates of each community from two separate experiments on the first PCA axis. The first PCA axis accounted for 57.1% of the variance in the data and was correlated with fatty acids that varied significantly between communities and reflected the underlying community taxonomic structure. On the basis of our data, community fatty acid profiles can be used to assess the relative similarities and differences of microbial communities that differ in taxonomic composition. However, detailed interpretation of community fatty acid profiles in terms of biomass or community taxonomic composition must be viewed with caution until our knowledge of the quantitative and qualitative distribution of fatty acids over a wide variety of taxa and the effects of growth conditions on fatty acid profiles is more extensive.

In-situ XRD and EDS method study on the oxidation behaviour of Ni-Cu sulphide ore.

PubMed

Li, Guangshi; Cheng, Hongwei; Xiong, Xiaolu; Lu, Xionggang; Xu, Cong; Lu, Changyuan; Zou, Xingli; Xu, Qian

2017-06-12

The oxidation mechanism of sulfides is the key issue during the sulphide-metallurgy process. In this study, the phase transformation and element migration were clearly demonstrated by in-situ laboratory-based X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDS), respectively. The reaction sequence and a four-step oxidation mechanism were proposed and identified. The elemental distribution demonstrated that at a low temperature, the Fe atoms diffused outward and the Ni/Cu atoms migrated toward the inner core, whereas the opposite diffusion processes were observed at a higher temperature. Importantly, the unique visual presentation of the oxidation behaviour provided by the combination of in-situ XRD and EDS might be useful for optimising the process parameters to improve the Ni/Cu extraction efficiency during Ni-Cu sulphide metallurgy.

Effect of sample moisture content on XRD-estimated cellulose crystallinity index and crystallite size

Treesearch

Umesh P. Agarwal; Sally A. Ralph; Carlos Baez; Richard S. Reiner; Steve P. Verrill

2017-01-01

Although X-ray diffraction (XRD) has been the most widely used technique to investigate crystallinity index (CrI) and crystallite size (L200) of cellulose materials, there are not many studies that have taken into account the role of sample moisture on these measurements. The present investigation focuses on a variety of celluloses and cellulose...

Classification of 'healthier' and 'less healthy' supermarket foods by two Australasian nutrient profiling models.

PubMed

Eyles, Helen; Gorton, Delvina; Ni Mhurchu, Cliona

2010-09-10

To determine whether a modified version of the Heart Foundation Tick (MHFT) nutrient profiling model appropriately classifies supermarket foods to endorse its use for identifying 'healthier' products eligible for promotion in a supermarket intervention trial. Top-selling products (n=550) were selected from an existing supermarket nutrient composition database. Percentage of products classified as 'healthier' by the MHFT and a modified comparator model (Food Standards Australia New Zealand; MFSANZ) were calculated. Percentage agreement, consistency (kappa statistic), and average nutrient values were assessed overall, and across seven food groups. The MHFT model categorised 16% fewer products as 'healthier' than the MFSANZ model. Agreement and consistency between models were 72% and kappa=0.46 (P=0.00), respectively. For both models, 'healthier' products were on average lower in energy, protein, saturated fat, sugar, and sodium than their 'less healthy' counterparts. The MHFT nutrient profiling model categorised regularly purchased supermarket foods similarly to the MFSANZ model, and both appear to distinguish appropriately between 'healthier' and 'less healthy' options. Therefore, both models have the potential to appropriately identify 'healthier' foods for promotion and positively influence food choices.

High temperature XRD of Cu2GeSe3

NASA Astrophysics Data System (ADS)

Premkumar D., S.; Chetty, Raju; Malar, P.; Mallik, Ramesh Chandra

2015-06-01

The Cu2GeSe3 is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu2GeSe3 phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a and c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.

Physics-based Control-oriented Modeling of the Current Profile Evolution in NSTX-Upgrade

NASA Astrophysics Data System (ADS)

Ilhan, Zeki; Barton, Justin; Shi, Wenyu; Schuster, Eugenio; Gates, David; Gerhardt, Stefan; Kolemen, Egemen; Menard, Jonathan

2013-10-01

The operational goals for the NSTX-Upgrade device include non-inductive sustainment of high- β plasmas, realization of the high performance equilibrium scenarios with neutral beam heating, and achievement of longer pulse durations. Active feedback control of the current profile is proposed to enable these goals. Motivated by the coupled, nonlinear, multivariable, distributed-parameter plasma dynamics, the first step towards feedback control design is the development of a physics-based, control-oriented model for the current profile evolution in response to non-inductive current drives and heating systems. For this purpose, the nonlinear magnetic-diffusion equation is coupled with empirical models for the electron density, electron temperature, and non-inductive current drives (neutral beams). The resulting first-principles-driven, control-oriented model is tailored for NSTX-U based on the PTRANSP predictions. Main objectives and possible challenges associated with the use of the developed model for control design are discussed. This work was supported by PPPL.

Genome-wide expression profiling of five mouse models identifies similarities and differences with human psoriasis.

PubMed

Swindell, William R; Johnston, Andrew; Carbajal, Steve; Han, Gangwen; Wohn, Christian; Lu, Jun; Xing, Xianying; Nair, Rajan P; Voorhees, John J; Elder, James T; Wang, Xiao-Jing; Sano, Shigetoshi; Prens, Errol P; DiGiovanni, John; Pittelkow, Mark R; Ward, Nicole L; Gudjonsson, Johann E

2011-04-04

Development of a suitable mouse model would facilitate the investigation of pathomechanisms underlying human psoriasis and would also assist in development of therapeutic treatments. However, while many psoriasis mouse models have been proposed, no single model recapitulates all features of the human disease, and standardized validation criteria for psoriasis mouse models have not been widely applied. In this study, whole-genome transcriptional profiling is used to compare gene expression patterns manifested by human psoriatic skin lesions with those that occur in five psoriasis mouse models (K5-Tie2, imiquimod, K14-AREG, K5-Stat3C and K5-TGFbeta1). While the cutaneous gene expression profiles associated with each mouse phenotype exhibited statistically significant similarity to the expression profile of psoriasis in humans, each model displayed distinctive sets of similarities and differences in comparison to human psoriasis. For all five models, correspondence to the human disease was strong with respect to genes involved in epidermal development and keratinization. Immune and inflammation-associated gene expression, in contrast, was more variable between models as compared to the human disease. These findings support the value of all five models as research tools, each with identifiable areas of convergence to and divergence from the human disease. Additionally, the approach used in this paper provides an objective and quantitative method for evaluation of proposed mouse models of psoriasis, which can be strategically applied in future studies to score strengths of mouse phenotypes relative to specific aspects of human psoriasis.

An empirical model for inverted-velocity-profile jet noise prediction

NASA Technical Reports Server (NTRS)

Stone, J. R.

1977-01-01

An empirical model for predicting the noise from inverted-velocity-profile coaxial or coannular jets is presented and compared with small-scale static and simulated flight data. The model considered the combined contributions of as many as four uncorrelated constituent sources: the premerged-jet/ambient mixing region, the merged-jet/ambient mixing region, outer-stream shock/turbulence interaction, and inner-stream shock/turbulence interaction. The noise from the merged region occurs at relatively low frequency and is modeled as the contribution of a circular jet at merged conditions and total exhaust area, with the high frequencies attenuated. The noise from the premerged region occurs at high frequency and is modeled as the contribution of an equivalent plug nozzle at outer stream conditions, with the low frequencies attenuated.

The potential of LIRIC to validate the vertical profiles of the aerosol mass concentration estimated by an air quality model

NASA Astrophysics Data System (ADS)

Siomos, Nikolaos; Filoglou, Maria; Poupkou, Anastasia; Liora, Natalia; Dimopoulos, Spyros; Melas, Dimitris; Chaikovsky, Anatoli; Balis, Dimitris

2015-04-01

Vertical profiles of the aerosol mass concentration derived by a retrieval algorithm that uses combined sunphotometer and LIDAR data (LIRIC) were used in order to validate the mass concentration profiles estimated by the air quality model CAMx. LIDAR and CIMEL measurements of the Laboratory of Atmospheric Physics of the Aristotle University of Thessaloniki were used for this validation.The aerosol mass concentration profiles of the fine and coarse mode derived by CAMx were compared with the respective profiles derived by the retrieval algorithm. For the coarse mode particles, forecasts of the Saharan dust transportation model BSC-DREAM8bV2 were also taken into account. Each of the retrieval algorithm's profiles were matched to the models' profile with the best agreement within a time window of four hours before and after the central measurement. OPAC, a software than can provide optical properties of aerosol mixtures, was also employed in order to calculate the angstrom exponent and the lidar ratio values for 355nm and 532nm for each of the model's profiles aiming in a comparison with the angstrom exponent and the lidar ratio values derived by the retrieval algorithm for each measurement. The comparisons between the fine mode aerosol concentration profiles resulted in a good agreement between CAMx and the retrieval algorithm, with the vertical mean bias error never exceeding 7 μgr/m3. Concerning the aerosol coarse mode concentration profiles both CAMx and BSC-DREAM8bV2 values are severely underestimated, although, in cases of Saharan dust transportation events there is an agreement between the profiles of BSC-DREAM8bV2 model and the retrieval algorithm.

Model 'zero-age' lunar thermal profiles resulting from electrical induction

NASA Technical Reports Server (NTRS)

Herbert, F.; Sonett, C. P.; Wiskerchen, M. J.

1977-01-01

Thermal profiles for the moon are calculated under the assumption that a pre-main-sequence T-Tauri-like solar wind excites both transverse magnetic and transverse electric induction while the moon is accreting. A substantial initial temperature rise occurs, possibly of sufficient magnitude to cause subsequent early extensive melting throughout the moon in conjunction with nominal long-lived radioactives. In these models, accretion is an unimportant direct source of thermal energy but is important because even small temperature rises from accretion cause significant changes in bulk electrical conductivity. Induction depends upon the radius of the moon, which we take to be accumulating while it is being heated electrically. The 'zero-age' profiles calculated in this paper are proposed as initial conditions for long-term thermal evolution of the moon.

Understanding changes in cellulose crystalline structure of lignocellulosic biomass during ionic liquid pretreatment by XRD.

PubMed

Zhang, Jiafu; Wang, Yixun; Zhang, Liye; Zhang, Ruihong; Liu, Guangqing; Cheng, Gang

2014-01-01

X-ray diffraction (XRD) was used to understand the interactions of cellulose in lignocellulosic biomass with ionic liquids (ILs). The experiment was designed in such a way that the process of swelling and solubilization of crystalline cellulose in plant cell walls was followed by XRD. Three different feedstocks, switchgrass, corn stover and rice husk, were pretreated using 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) at temperatures of 50-130°C for 6h. At a 5 wt.% biomass loading, increasing pretreatment temperature led to a drop in biomass crystallinity index (CrI), which was due to swelling of crystalline cellulose. After most of the crystalline cellulose was swollen with IL molecules, a low-order structure was found in the pretreated samples. Upon further increasing temperature, cellulose II structure started to form in the pretreated biomass samples as a result of solubilization of cellulose in [C4mim][OAc] and subsequent regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.

PubMed

Yao, Zhi-Jiang; Dong, Jie; Che, Yu-Jing; Zhu, Min-Feng; Wen, Ming; Wang, Ning-Ning; Wang, Shan; Lu, Ai-Ping; Cao, Dong-Sheng

2016-05-01

Drug-target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug-drug interactions, and drug mode of actions. Therefore, it is of high importance to reliably and fast predict DTI profiling of the drugs on a genome-scale level. Here, we develop the TargetNet server, which can make real-time DTI predictions based only on molecular structures, following the spirit of multi-target SAR methodology. Naïve Bayes models together with various molecular fingerprints were employed to construct prediction models. Ensemble learning from these fingerprints was also provided to improve the prediction ability. When the user submits a molecule, the server will predict the activity of the user's molecule across 623 human proteins by the established high quality SAR model, thus generating a DTI profiling that can be used as a feature vector of chemicals for wide applications. The 623 SAR models related to 623 human proteins were strictly evaluated and validated by several model validation strategies, resulting in the AUC scores of 75-100 %. We applied the generated DTI profiling to successfully predict potential targets, toxicity classification, drug-drug interactions, and drug mode of action, which sufficiently demonstrated the wide application value of the potential DTI profiling. The TargetNet webserver is designed based on the Django framework in Python, and is freely accessible at http://targetnet.scbdd.com .

TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models

NASA Astrophysics Data System (ADS)

Yao, Zhi-Jiang; Dong, Jie; Che, Yu-Jing; Zhu, Min-Feng; Wen, Ming; Wang, Ning-Ning; Wang, Shan; Lu, Ai-Ping; Cao, Dong-Sheng

2016-05-01

Drug-target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug-drug interactions, and drug mode of actions. Therefore, it is of high importance to reliably and fast predict DTI profiling of the drugs on a genome-scale level. Here, we develop the TargetNet server, which can make real-time DTI predictions based only on molecular structures, following the spirit of multi-target SAR methodology. Naïve Bayes models together with various molecular fingerprints were employed to construct prediction models. Ensemble learning from these fingerprints was also provided to improve the prediction ability. When the user submits a molecule, the server will predict the activity of the user's molecule across 623 human proteins by the established high quality SAR model, thus generating a DTI profiling that can be used as a feature vector of chemicals for wide applications. The 623 SAR models related to 623 human proteins were strictly evaluated and validated by several model validation strategies, resulting in the AUC scores of 75-100 %. We applied the generated DTI profiling to successfully predict potential targets, toxicity classification, drug-drug interactions, and drug mode of action, which sufficiently demonstrated the wide application value of the potential DTI profiling. The TargetNet webserver is designed based on the Django framework in Python, and is freely accessible at http://targetnet.scbdd.com.

Version 8 SBUV Ozone Profile Trends Compared with Trends from a Zonally Averaged Chemical Model

NASA Technical Reports Server (NTRS)

Rosenfield, Joan E.; Frith, Stacey; Stolarski, Richard

2004-01-01

Linear regression trends for the years 1979-2003 were computed using the new Version 8 merged Solar Backscatter Ultraviolet (SBUV) data set of ozone profiles. These trends were compared to trends computed using ozone profiles from the Goddard Space Flight Center (GSFC) zonally averaged coupled model. Observed and modeled annual trends between 50 N and 50 S were a maximum in the higher latitudes of the upper stratosphere, with southern hemisphere (SH) trends greater than northern hemisphere (NH) trends. The observed upper stratospheric maximum annual trend is -5.5 +/- 0.9 % per decade (1 sigma) at 47.5 S and -3.8 +/- 0.5 % per decade at 47.5 N, to be compared with the modeled trends of -4.5 +/- 0.3 % per decade in the SH and -4.0 +/- 0.2% per decade in the NH. Both observed and modeled trends are most negative in winter and least negative in summer, although the modeled seasonal difference is less than observed. Model trends are shown to be greatest in winter due to a repartitioning of chlorine species and the increasing abundance of chlorine with time. The model results show that trend differences can occur depending on whether ozone profiles are in mixing ratio or number density coordinates, and on whether they are recorded on pressure or altitude levels.

Powder-XRD and (14) N magic angle-spinning solid-state NMR spectroscopy of some metal nitrides.

PubMed

Kempgens, Pierre; Britton, Jonathan

2016-05-01

Some metal nitrides (TiN, ZrN, InN, GaN, Ca3 N2 , Mg3 N2 , and Ge3 N4 ) have been studied by powder X-ray diffraction (XRD) and (14) N magic angle-spinning (MAS) solid-state NMR spectroscopy. For Ca3 N2 , Mg3 N2 , and Ge3 N4 , no (14) N NMR signal was observed. Low speed (νr  = 2 kHz for TiN, ZrN, and GaN; νr  = 1 kHz for InN) and 'high speed' (νr  = 15 kHz for TiN; νr  = 5 kHz for ZrN; νr  = 10 kHz for InN and GaN) MAS NMR experiments were performed. For TiN, ZrN, InN, and GaN, powder-XRD was used to identify the phases present in each sample. The number of peaks observed for each sample in their (14) N MAS solid-state NMR spectrum matches perfectly well with the number of nitrogen-containing phases identified by powder-XRD. The (14) N MAS solid-state NMR spectra are symmetric and dominated by the quadrupolar interaction. The envelopes of the spinning sidebands manifold are Lorentzian, and it is concluded that there is a distribution of the quadrupolar coupling constants Qcc 's arising from structural defects in the compounds studied. Copyright © 2015 John Wiley & Sons, Ltd.

Laser range profile of cones

NASA Astrophysics Data System (ADS)

Zhou, Wenzhen; Gong, Yanjun; Wang, Mingjun; Gong, Lei

2016-10-01

technology. Laser one-dimensional range profile can reflect the characteristics of the target shape and surface material. These techniques were motivated by applications of laser radar to target discrimination in ballistic missile defense. The radar equation of pulse laser about cone is given in this paper. This paper demonstrates the analytical model of laser one-dimensional range profile of cone based on the radar equation of the pulse laser. Simulations results of laser one-dimensional range profiles of some cones are given. Laser one-dimensional range profiles of cone, whose surface material with diffuse lambertian reflectance, is given in this paper. Laser one-dimensional range profiles of cone, whose surface mater with diffuse materials whose retroreflectance can be modeled closely with an exponential term that decays with increasing incidence angles, is given in this paper. Laser one-dimensional range profiles of different pulse width of cone is given in this paper. The influences of surface material, pulse width, attitude on the one-dimensional range are analyzed. The laser two-dimensional range profile is two-dimensional scattering imaging of pulse laser of target. The two-dimensional range profile of roughness target can provide range resolved information. An analytical model of two-dimensional laser range profile of cone is proposed. The simulations of two-dimensional laser range profiles of some cones are given. Laser two-dimensional range profiles of cone, whose surface mater with diffuse lambertian reflectance, is given in this paper. Laser two-dimensional range profiles of cone, whose surface mater with diffuse materials whose retroreflectance can be modeled closely with an exponential term that decays with increasing incidence angles, is given in this paper. The influence of pulse width, surface material on laser two-dimensional range profile is analyzed. Laser one-dimensional range profile and laser two-dimensional range profile are called as laser

Profile modifications in laser-driven temperature fronts using flux-limiters and delocalization models

NASA Astrophysics Data System (ADS)

Colombant, Denis; Manheimer, Wallace; Busquet, Michel

2004-11-01

A simple steady-state model using flux-limiters by Day et al [1] showed that temperature profiles could formally be double-valued. Stability of temperature profiles in laser-driven temperature fronts using delocalization models was also discussed by Prasad and Kershaw [2]. We have observed steepening of the front and flattening of the maximum temperature in laser-driven implosions [3]. Following the simple model first proposed in [1], we solve for a two-boundary value steady-state heat flow problem for various non-local heat transport models. For the more complicated models [4,5], we obtain the steady-state solution as the asymptotic limit of the time-dependent solution. Solutions will be shown and compared for these various models. 1.M.Day, B.Merriman, F.Najmabadi and R.W.Conn, Contrib. Plasma Phys. 36, 419 (1996) 2.M.K.Prasad and D.S.Kershaw, Phys. Fluids B3, 3087 (1991) 3.D.Colombant, W.Manheimer and M.Busquet, Bull. Amer. Phys. Soc. 48, 326 (2003) 4.E.M.Epperlein and R.W.Short, Phys. Fluids B3, 3092 (1991) 5.W.Manheimer and D.Colombant, Phys. Plasmas 11, 260 (2004)

Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

NASA Astrophysics Data System (ADS)

Nguyen, Hung T.; Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois; Case, David A.

2014-12-01

A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb+ and Sr2+) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein-Zernike equations, with results from the Kovalenko-Hirata closure being closest to experiment for the cases studied here.

Spatiotemporal Analysis of Coronal Loops Using Seismology of Damped Kink Oscillations and Forward Modeling of EUV Intensity Profiles

NASA Astrophysics Data System (ADS)

Pascoe, D. J.; Anfinogentov, S. A.; Goddard, C. R.; Nakariakov, V. M.

2018-06-01

The shape of the damping profile of kink oscillations in coronal loops has recently allowed the transverse density profile of the loop to be estimated. This requires accurate measurement of the damping profile that can distinguish the Gaussian and exponential damping regimes, otherwise there are more unknowns than observables. Forward modeling of the transverse intensity profile may also be used to estimate the width of the inhomogeneous layer of a loop, providing an independent estimate of one of these unknowns. We analyze an oscillating loop for which the seismological determination of the transverse structure is inconclusive except when supplemented by additional spatial information from the transverse intensity profile. Our temporal analysis describes the motion of a coronal loop as a kink oscillation damped by resonant absorption, and our spatial analysis is based on forward modeling the transverse EUV intensity profile of the loop under the isothermal and optically thin approximations. We use Bayesian analysis and Markov chain Monte Carlo sampling to apply our spatial and temporal models both individually and simultaneously to our data and compare the results with numerical simulations. Combining the two methods allows both the inhomogeneous layer width and density contrast to be calculated, which is not possible for the same data when each method is applied individually. We demonstrate that the assumption of an exponential damping profile leads to a significantly larger error in the inferred density contrast ratio compared with a Gaussian damping profile.

Genome-Wide Expression Profiling of Five Mouse Models Identifies Similarities and Differences with Human Psoriasis

PubMed Central

Swindell, William R.; Johnston, Andrew; Carbajal, Steve; Han, Gangwen; Wohn, Christian; Lu, Jun; Xing, Xianying; Nair, Rajan P.; Voorhees, John J.; Elder, James T.; Wang, Xiao-Jing; Sano, Shigetoshi; Prens, Errol P.; DiGiovanni, John; Pittelkow, Mark R.; Ward, Nicole L.; Gudjonsson, Johann E.

2011-01-01

Development of a suitable mouse model would facilitate the investigation of pathomechanisms underlying human psoriasis and would also assist in development of therapeutic treatments. However, while many psoriasis mouse models have been proposed, no single model recapitulates all features of the human disease, and standardized validation criteria for psoriasis mouse models have not been widely applied. In this study, whole-genome transcriptional profiling is used to compare gene expression patterns manifested by human psoriatic skin lesions with those that occur in five psoriasis mouse models (K5-Tie2, imiquimod, K14-AREG, K5-Stat3C and K5-TGFbeta1). While the cutaneous gene expression profiles associated with each mouse phenotype exhibited statistically significant similarity to the expression profile of psoriasis in humans, each model displayed distinctive sets of similarities and differences in comparison to human psoriasis. For all five models, correspondence to the human disease was strong with respect to genes involved in epidermal development and keratinization. Immune and inflammation-associated gene expression, in contrast, was more variable between models as compared to the human disease. These findings support the value of all five models as research tools, each with identifiable areas of convergence to and divergence from the human disease. Additionally, the approach used in this paper provides an objective and quantitative method for evaluation of proposed mouse models of psoriasis, which can be strategically applied in future studies to score strengths of mouse phenotypes relative to specific aspects of human psoriasis. PMID:21483750

The XRD Amorphous Component in John Klein Drill Fines at Yellowknife Bay, Gale Crater, Mars

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Ming,, Douglas W.; Blake, David; Vaniman, David; Bish, David L; Chipera, Steve; Downs, Robert; Morrison, Shaunna; Gellert, Ralf; Campbell, Iain;

XRD measurement of mean thickness, thickness distribution and strain for illite and illite-smectite crystallites by the Bertaut-Warren-Averbach technique

USGS Publications Warehouse

Drits, Victor A.; Eberl, Dennis D.; Środoń, Jan

1998-01-01

A modified version of the Bertaut-Warren-Averbach (BWA) technique (Bertaut 1949, 1950; Warren and Averbach 1950) has been developed to measure coherent scattering domain (CSD) sizes and strains in minerals by analysis of X-ray diffraction (XRD) data. This method is used to measure CSD thickness distributions for calculated and experimental XRD patterns of illites and illite-smectites (I-S). The method almost exactly recovers CSD thickness distributions for calculated illite XRD patterns. Natural I-S samples contain swelling layers that lead to nonperiodic structures in the c* direction and to XRD peaks that are broadened and made asymmetric by mixed layering. Therefore, these peaks cannot be analyzed by the BWA method. These difficulties are overcome by K-saturation and heating prior to X-ray analysis in order to form 10-Å periodic structures. BWA analysis yields the thickness distribution of mixed-layer crystals (coherently diffracting stacks of fundamental illite particles). For most I-S samples, CSD thickness distributions can be approximated by lognormal functions. Mixed-layer crystal mean thickness and expandability then can be used to calculate fundamental illite particle mean thickness. Analyses of the dehydrated, K-saturated samples indicate that basal XRD reflections are broadened by symmetrical strain that may be related to local variations in smectite interlayers caused by dehydration, and that the standard deviation of the strain increases regularly with expandability. The 001 and 002 reflections are affected only slightly by this strain and therefore are suited for CSD thickness analysis. Mean mixed-layer crystal thicknesses for dehydrated I-S measured by the BWA method are very close to those measured by an integral peak width method.

Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions.

PubMed

Sedykh, Alexander; Fourches, Denis; Duan, Jianmin; Hucke, Oliver; Garneau, Michel; Zhu, Hao; Bonneau, Pierre; Tropsha, Alexander

2013-04-01

Membrane transporters mediate many biological effects of chemicals and play a major role in pharmacokinetics and drug resistance. The selection of viable drug candidates among biologically active compounds requires the assessment of their transporter interaction profiles. Using public sources, we have assembled and curated the largest, to our knowledge, human intestinal transporter database (>5,000 interaction entries for >3,700 molecules). This data was used to develop thoroughly validated classification Quantitative Structure-Activity Relationship (QSAR) models of transport and/or inhibition of several major transporters including MDR1, BCRP, MRP1-4, PEPT1, ASBT, OATP2B1, OCT1, and MCT1. QSAR models have been developed with advanced machine learning techniques such as Support Vector Machines, Random Forest, and k Nearest Neighbors using Dragon and MOE chemical descriptors. These models afforded high external prediction accuracies of 71-100% estimated by 5-fold external validation, and showed hit retrieval rates with up to 20-fold enrichment in the virtual screening of DrugBank compounds. The compendium of predictive QSAR models developed in this study can be used for virtual profiling of drug candidates and/or environmental agents with the optimal transporter profiles.

Process-based modeling of temperature and water profiles in the seedling recruitment zone: Part I. Model validation

USDA-ARS?s Scientific Manuscript database

Process-based modeling provides detailed spatial and temporal information of the soil environment in the shallow seedling recruitment zone across field topography where measurements of soil temperature and water may not sufficiently describe the zone. Hourly temperature and water profiles within the...

Evidential evaluation of DNA profiles using a discrete statistical model implemented in the DNA LiRa software.

PubMed

Puch-Solis, Roberto; Clayton, Tim

2014-07-01

The high sensitivity of the technology for producing profiles means that it has become routine to produce profiles from relatively small quantities of DNA. The profiles obtained from low template DNA (LTDNA) are affected by several phenomena which must be taken into consideration when interpreting and evaluating this evidence. Furthermore, many of the same phenomena affect profiles from higher amounts of DNA (e.g. where complex mixtures has been revealed). In this article we present a statistical model, which forms the basis of software DNA LiRa, and that is able to calculate likelihood ratios where one to four donors are postulated and for any number of replicates. The model can take into account dropin and allelic dropout for different contributors, template degradation and uncertain allele designations. In this statistical model unknown parameters are treated following the Empirical Bayesian paradigm. The performance of LiRa is tested using examples and the outputs are compared with those generated using two other statistical software packages likeLTD and LRmix. The concept of ban efficiency is introduced as a measure for assessing model sensitivity. Copyright © 2014. Published by Elsevier Ireland Ltd.

MODELLING OF POLYCHLORINATED-DIOXIN AND -FURAN CONGENER PROFILES FROM MUNICIPAL WASTE COMBUSTION

EPA Science Inventory

The paper discusses a model, based on experimental data, that was developed to describe the profile of polychlorinated dibenzo-p-dioxin (PCDD) and polychlorinated dibenzofuran (PCDF) congeners formed in the duct region of a pilot-scale combustor simulating large-scale municipal w...

A stochastic model for optimizing composite predictors based on gene expression profiles.

PubMed

Ramanathan, Murali

2003-07-01

This project was done to develop a mathematical model for optimizing composite predictors based on gene expression profiles from DNA arrays and proteomics. The problem was amenable to a formulation and solution analogous to the portfolio optimization problem in mathematical finance: it requires the optimization of a quadratic function subject to linear constraints. The performance of the approach was compared to that of neighborhood analysis using a data set containing cDNA array-derived gene expression profiles from 14 multiple sclerosis patients receiving intramuscular inteferon-beta1a. The Markowitz portfolio model predicts that the covariance between genes can be exploited to construct an efficient composite. The model predicts that a composite is not needed for maximizing the mean value of a treatment effect: only a single gene is needed, but the usefulness of the effect measure may be compromised by high variability. The model optimized the composite to yield the highest mean for a given level of variability or the least variability for a given mean level. The choices that meet this optimization criteria lie on a curve of composite mean vs. composite variability plot referred to as the "efficient frontier." When a composite is constructed using the model, it outperforms the composite constructed using the neighborhood analysis method. The Markowitz portfolio model may find potential applications in constructing composite biomarkers and in the pharmacogenomic modeling of treatment effects derived from gene expression endpoints.

Exploration of geo-mineral compounds in granite mining soils using XRD pattern data analysis

NASA Astrophysics Data System (ADS)

Koteswara Reddy, G.; Yarakkula, Kiran

2017-11-01

The purpose of the study was to investigate the major minerals present in granite mining waste and agricultural soils near and away from mining areas. The mineral exploration of representative sub-soil samples are identified by X-Ray Diffractometer (XRD) pattern data analysis. The morphological features and quantitative elementary analysis was performed by Scanning Electron Microscopy-Energy Dispersed Spectroscopy (SEM-EDS).The XRD pattern data revealed that the major minerals are identified as Quartz, Albite, Anorthite, K-Feldspars, Muscovite, Annite, Lepidolite, Illite, Enstatite and Ferrosilite in granite waste. However, in case of agricultural farm soils the major minerals are identified as Gypsum, Calcite, Magnetite, Hematite, Muscovite, K-Feldspars and Quartz. Moreover, the agricultural soils neighbouring mining areas, the minerals are found that, the enriched Mica group minerals (Lepidolite and Illite) the enriched Orthopyroxene group minerals (Ferrosilite and Enstatite). It is observed that the Mica and Orthopyroxene group minerals are present in agricultural farm soils neighbouring mining areas and absent in agricultural farm soils away from mining areas. The study demonstrated that the chemical migration takes place at agricultural farm lands in the vicinity of the granite mining areas.

Synchrotron-based XRD from rat bone of different age groups.

PubMed

Rao, D V; Gigante, G E; Cesareo, R; Brunetti, A; Schiavon, N; Akatsuka, T; Yuasa, T; Takeda, T

2017-05-01

Synchrotron-based XRD spectra from rat bone of different age groups (w, 56 w and 78w), lumber vertebra at early stages of bone formation, Calcium hydroxyapatite (HAp) [Ca 10 (PO 4 ) 6 (OH) 2 ] bone fill with varying composition (60% and 70%) and bone cream (35-48%), has been acquired with 15keV synchrotron X-rays. Experiments were performed at Desy, Hamburg, Germany, utilizing the Resonant and Diffraction beamline (P9), with 15keV X-rays (λ=0.82666 A 0 ). Diffraction data were quantitatively analyzed using the Rietveld refinement approach, which allowed us to characterize the structure of these samples in their early stages. Hydroxyapatite, received considerable attention in medical and materials sciences, since these materials are the hard tissues, such as bone and teeth. Higher bioactivity of these samples gained reasonable interest for biological application and for bone tissue repair in oral surgery and orthopedics. The results obtained from these samples, such as phase data, crystalline size of the phases, as well as the degree of crystallinity, confirm the apatite family crystallizing in a hexagonal system, space group P6 3 /m with the lattice parameters of a=9.4328Å and c=6.8842Å (JCPDS card #09-0432). Synchrotron-based XRD patterns are relatively sharp and well resolved and can be attributed to the hexagonal crystal form of hydroxyapatite. All the samples were examined with scanning electron microscope at an accelerating voltage of 15kV. The presence of large globules of different sizes is observed, in small age groups of the rat bone (8w) and lumber vertebra (LV), as distinguished from, large age groups (56 and 78w) in all samples with different magnification, reflects an amorphous phase without significant traces of crystalline phases. Scanning electron microscopy (SEM) was used to characterize the morphology and crystalline properties of Hap, for all the samples, from 2 to 100μm resolution. Copyright © 2017 Elsevier B.V. All rights reserved.

On the Development of Models for Height Profiles of the Wind Speed in the Atmospheric Surface Layer

NASA Astrophysics Data System (ADS)

Nikolaev, V. G.; Ganaga, S. V.; Kudryashov, Yu. I.; Nikolaev, V. V.

2018-03-01

The reliability of the known models of a height profile of the wind speed V( h) in the atmospheric boundary layer (ABL) and near-surface layer (NSL) is analyzed using the data of long-term ABL measurements accumulated in Russia in the state network of meteorological and aerological stations and the data of multilevel measurements at mast wind-measuring complexes. A new multilayer semiempirical model of V( h) is proposed which is based on aerodynamic and physical representations of the ABL vertical structure and relies on the hypothesis that wind-speed profiles providing the minimum wind friction on the ground and satisfying the conditions of profile smoothness are feasible in the ABL. This model ensures the best agreement with the data of meteorological, aerological, and mast wind measurements.

Incorporating additional tree and environmental variables in a lodgepole pine stem profile model

Treesearch

John C. Byrne

1993-01-01

A new variable-form segmented stem profile model is developed for lodgepole pine (Pinus contorta) trees from the northern Rocky Mountains of the United States. I improved estimates of stem diameter by predicting two of the model coefficients with linear equations using a measure of tree form, defined as a ratio of dbh and total height. Additional improvements were...

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

DOE PAGES

Iamsasri, Thanakorn; Guerrier, Jonathon; Esteves, Giovanni; ...

2017-02-01

A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr 0.3Ti 0.7O 3and a bulk commercial PZT polycrystalline ferroelectric. Here, the new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.

Influence of smectite suspension structure on sheet orientation in dry sediments: XRD and AFM applications.

PubMed

Zbik, Marek S; Frost, Ray L

2010-06-15

The structure-building phenomena within clay aggregates are governed by forces acting between clay particles. Measurements of such forces are important to understand in order to manipulate the aggregate structure for applications such as dewatering of mineral processing tailings. A parallel particle orientation is required when conducting XRD investigation on the oriented samples and conduct force measurements acting between basal planes of clay mineral platelets using atomic force microscopy (AFM). To investigate how smectite clay platelets were oriented on silicon wafer substrate when dried from suspension range of methods like SEM, XRD and AFM were employed. From these investigations, we conclude that high clay concentrations and larger particle diameters (up to 5 microm) in suspension result in random orientation of platelets in the substrate. The best possible laminar orientation in the clay dry film, represented in the XRD 001/020 intensity ratio of 47 was obtained by drying thin layers from 0.02 wt.% clay suspensions of the natural pH. Conducted AFM investigations show that smectite studied in water based electrolytes show very long-range repulsive forces lower in strength than electrostatic forces from double-layer repulsion. It was suggested that these forces may have structural nature. Smectite surface layers rehydrate in water environment forms surface gel with spongy and cellular texture which cushion approaching AFM probe. This structural effect can be measured in distances larger than 1000 nm from substrate surface and when probe penetrate this gel layer, structural linkages are forming between substrate and clay covered probe. These linkages prevent subsequently smooth detachments of AFM probe on way back when retrieval. This effect of tearing new formed structure apart involves larger adhesion-like forces measured in retrieval. It is also suggested that these effect may be enhanced by the nano-clay particles interaction. 2010 Elsevier Inc. All

A Tool for Model-Based Generation of Scenario-driven Electric Power Load Profiles

NASA Technical Reports Server (NTRS)

Rozek, Matthew L.; Donahue, Kenneth M.; Ingham, Michel D.; Kaderka, Justin D.

2015-01-01

Power consumption during all phases of spacecraft flight is of great interest to the aerospace community. As a result, significant analysis effort is exerted to understand the rates of electrical energy generation and consumption under many operational scenarios of the system. Previously, no standard tool existed for creating and maintaining a power equipment list (PEL) of spacecraft components that consume power, and no standard tool existed for generating power load profiles based on this PEL information during mission design phases. This paper presents the Scenario Power Load Analysis Tool (SPLAT) as a model-based systems engineering tool aiming to solve those problems. SPLAT is a plugin for MagicDraw (No Magic, Inc.) that aids in creating and maintaining a PEL, and also generates a power and temporal variable constraint set, in Maple language syntax, based on specified operational scenarios. The constraint set can be solved in Maple to show electric load profiles (i.e. power consumption from loads over time). SPLAT creates these load profiles from three modeled inputs: 1) a list of system components and their respective power modes, 2) a decomposition hierarchy of the system into these components, and 3) the specification of at least one scenario, which consists of temporal constraints on component power modes. In order to demonstrate how this information is represented in a system model, a notional example of a spacecraft planetary flyby is introduced. This example is also used to explain the overall functionality of SPLAT, and how this is used to generate electric power load profiles. Lastly, a cursory review of the usage of SPLAT on the Cold Atom Laboratory project is presented to show how the tool was used in an actual space hardware design application.

O-star parameters from line profiles of wind-blanketed model atmospheres

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

Voels, S.A.

1989-01-01

The basic stellar parameters (i.e. effective temperature, gravity, helium content, bolometric correction, etc...) of several O-stars are determined by matching high signal-to-noise observed line profiles of optical hydrogen and helium line transitions with theoretical line profiles from a core-halo model of the stellar atmosphere. The core-halo atmosphere includes the effect of radiation backscattered from a stellar wind by incorporating the stellar wind model of Abbott and Lucy as a reflective upper boundary condition in the Mihalas atmosphere model. Three of the four supergiants analyzed showed an enhanced surface abundance of helium. Using a large sample of equivalent width data frommore » Conti a simple argument is made that surface enhancement of helium may be a common property of the most luminous supergiants. The stellar atmosphere theory is sufficient to determine the stellar parameters only if careful attention is paid to the detection and exclusion of lines which are not accurately modeled by the physical processes included. It was found that some strong lines which form entirely below the sonic point are not well modeled due to effects of atmospheric extension. For spectral class 09.5, one of these lines is the classification line He I {lambda}4471{angstrom}. For supergiant, the gravity determined could be systematically low by up to 0.05 dex as the radiation pressure due to lines is neglected. Within the error ranges, the stellar parameters determined, including helium abundance, agree with those from the stellar evolution calculations of Maeder and Maynet.« less

Investigation of irradiation effects induced by self-ion in 6H-SiC combining RBS/C, Raman and XRD

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

Chaabane, Nihed; Debelle, Aurelien; Sattonnay, Gael

2012-01-01

Single crystals of 6H-SiC were irradiated at room temperature and 670 K with 4 MeV C ions at two fluences: 1015 and 1016 cm2 (0.16 and 1.6 dpa at the damage peak). Damage accumulation was studied by a combination of X-ray diffraction (XRD), Raman spectroscopy and Rutherford backscattering spectrometry in channelling geometry (RBS/C) along the [0001] direction. The irradiated layer is found to be composed of a low damage region up to 1.5 lm followed by a region where the disorder level is higher, consistent with SRIM predictions. At room temperature and low fluence, typically 1015 cm2, the strain depthmore » profile follows the dpa depth distribution (with a maximum value of 2%). The disorder is most likely due to small defect clusters. When increasing the fluence up to 1016 cm2, a buried amorphous layer forms, as indicated by e.g. Raman results where the Si C bands become broader or even disappear. At a higher irradiation temperature of 670 K, amorphization is not observed at the same fluence, revealing a dynamic annealing process. However, results tend to suggest that the irradiated layer is highly heterogeneous and composed of different types of defects.« less

XRD, TEM, and thermal analysis of Arizona Ca-montmorillonites modified with didodecyldimethylammonium bromide.

PubMed

Sun, Zhiming; Park, Yuri; Zheng, Shuilin; Ayoko, Godwin A; Frost, Ray L

2013-10-15

An Arizona SAz-2 calcium montmorillonite was modified by a typical dialkyl cationic surfactant (didodecyldimethylammonium bromide, abbreviated to DDDMA) through direct ion exchange. The obtained organoclays were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), high-resolution thermogravimetric analysis (HR-TG), and infrared emission spectroscopy (IES). The intercalation of surfactants greatly increased the basal spacing of the interlayers and the conformation arrangement of the loaded surfactant were assessed based on the XRD and TEM measurements. This work shows that the dialkyl surfactant can be directly intercalated into the montmorillonite without first undergoing Na(+) exchange. Moreover, the thermal stability of organoclays and the different arrangements of the surfactant molecules intercalated in the SAz-2 Ca-montmorillonite were determined by a combination of TG and IES techniques. The detailed conformational ordering of different intercalated surfactants under different conditions was also studied. The surfactant molecule DDDMA has proved to be thermally stable even at 400°C which indicates that the prepared organoclay is stable to significantly high temperatures. This study offers new insights into the structure and thermal stabilities of SAz-2 Ca-montmorillonite modified with DDDMA. The experimental results also confirm the potential applications of organic SAz-2 Ca-montmorillonites as adsorbents and polymer-clay nanocomposites. Copyright © 2013 Elsevier Inc. All rights reserved.

Transcriptional profile of a myotube starvation model of atrophy

NASA Technical Reports Server (NTRS)

Stevenson, Eric J.; Koncarevic, Alan; Giresi, Paul G.; Jackman, Robert W.; Kandarian, Susan C.

2005-01-01

Skeletal muscle wasting is a pervasive phenomenon that can result from a wide range of pathological conditions as well as from habitual muscular inactivity. The present work describes a cell-culture condition that induces significant atrophy in skeletal muscle C2C12 myotubes. The failure to replenish differentiation media in mature myotubes leads to rapid atrophy (53% in diameter), which is referred to here as starvation. Affymetrix microarrays were used to develop a transcriptional profile of control (fed) vs. atrophied (nonfed) myotubes. Myotube starvation was characterized by an upregulation of genes involved in translational inhibition, amino acid biosynthesis and transport, and cell cycle arrest/apoptosis, among others. Downregulated genes included several structural and regulatory elements of the extracellular matrix as well as several elements of Wnt/frizzled and TGF-beta signaling pathways. Interestingly, the characteristic transcriptional upregulation of the ubiquitin-proteasome system, calpains, and cathepsins known to occur in multiple in vivo models of atrophy were not seen during myotube starvation. With the exception of the downregulation of extracellular matrix genes, serine protease inhibitor genes, and the upregulation of the translation initiation factor PHAS-I, this model of atrophy in cell culture has a transcriptional profile quite distinct from any study published to date with atrophy in whole muscle. These data show that, although the gross morphology of atrophied muscle fibers may be similar in whole muscle vs. myotube culture, the processes by which this phenotype is achieved differ markedly.

Constraints on the Profiles of Total Water PDF in AGCMs from AIRS and a High-Resolution Model

NASA Technical Reports Server (NTRS)

Molod, Andrea

2012-01-01

Atmospheric general circulation model (AGCM) cloud parameterizations generally include an assumption about the subgrid-scale probability distribution function (PDF) of total water and its vertical profile. In the present study, the Atmospheric Infrared Sounder (AIRS) monthly-mean cloud amount and relative humidity fields are used to compute a proxy for the second moment of an AGCM total water PDF called the RH01 diagnostic, which is the AIRS mean relative humidity for cloud fractions of 0.1 or less. The dependence of the second moment on horizontal grid resolution is analyzed using results from a high-resolution global model simulation.The AIRS-derived RH01 diagnostic is generally larger near the surface than aloft, indicating a narrower PDF near the surface, and varies with the type of underlying surface. High-resolution model results show that the vertical structure of profiles of the AGCM PDF second moment is unchanged as the grid resolution changes from 200 to 100 to 50 km, and that the second-moment profiles shift toward higher values with decreasing grid spacing.Several Goddard Earth Observing System, version 5 (GEOS-5), AGCM simulations were performed with several choices for the profile of the PDF second moment. The resulting cloud and relative humidity fields were shown to be quite sensitive to the prescribed profile, and the use of a profile based on the AIRS-derived proxy results in improvements relative to observational estimates. The AIRS-guided total water PDF profiles, including their dependence on underlying surface type and on horizontal resolution, have been implemented in the version of the GEOS-5 AGCM used for publicly released simulations.

Estimating merchantable tree volume in Oregon and Washington using stem profile models

Treesearch

Raymond L. Czaplewski; Amy S. Brown; Dale G. Guenther

1989-01-01

The profile model of Max and Burkhart was fit to eight tree species in the Pacific Northwest Region (Oregon and Washington) of the Forest Service. Most estimates of merchantable volume had an average error less than 10% when applied to independent test data for three national forests.

Model-based Optimization and Feedback Control of the Current Density Profile Evolution in NSTX-U

NASA Astrophysics Data System (ADS)

Ilhan, Zeki Okan

Nuclear fusion research is a highly challenging, multidisciplinary field seeking contributions from both plasma physics and multiple engineering areas. As an application of plasma control engineering, this dissertation mainly explores methods to control the current density profile evolution within the National Spherical Torus eXperiment-Upgrade (NSTX-U), which is a substantial upgrade based on the NSTX device, which is located in Princeton Plasma Physics Laboratory (PPPL), Princeton, NJ. Active control of the toroidal current density profile is among those plasma control milestones that the NSTX-U program must achieve to realize its next-step operational goals, which are characterized by high-performance, long-pulse, MHD-stable plasma operation with neutral beam heating. Therefore, the aim of this work is to develop model-based, feedforward and feedback controllers that can enable time regulation of the current density profile in NSTX-U by actuating the total plasma current, electron density, and the powers of the individual neutral beam injectors. Motivated by the coupled, nonlinear, multivariable, distributed-parameter plasma dynamics, the first step towards control design is the development of a physics-based, control-oriented model for the current profile evolution in NSTX-U in response to non-inductive current drives and heating systems. Numerical simulations of the proposed control-oriented model show qualitative agreement with the high-fidelity physics code TRANSP. The next step is to utilize the proposed control-oriented model to design an open-loop actuator trajectory optimizer. Given a desired operating state, the optimizer produces the actuator trajectories that can steer the plasma to such state. The objective of the feedforward control design is to provide a more systematic approach to advanced scenario planning in NSTX-U since the development of such scenarios is conventionally carried out experimentally by modifying the tokamak's actuator

Sensitivity of a Chemical Mass Balance model for PM2.5 to source profiles for differing styles of cooking

NASA Astrophysics Data System (ADS)

Abdullahi, K. L.; Delgado-Saborit, J. M.; Harrison, Roy M.

2018-04-01

Use of a Chemical Mass Balance model is one of the two most commonly used approaches to estimating atmospheric concentrations of cooking aerosol. Such models require the input of chemical profiles for each of the main sources contributing to particulate matter mass and there is appreciable evidence from the literature that not only the mass emission but also the chemical composition of particulate matter varies according to the food being prepared and the style of cooking. In this study, aerosol has been sampled in the laboratory from four different styles of cooking, i.e. Indian, Chinese, Western and African cooking. The chemical profiles of molecular markers have been quantified and are used individually within a Chemical Mass Balance model applied to air samples collected in a multi-ethnic area of Birmingham, UK. The model results give a source contribution estimate for cooking aerosol which is consistent with other comparable UK studies, but also shows a very low sensitivity of the model to the cooking aerosol profile utilised. A survey of local restaurants suggested a wide range of cooking styles taking place which may explain why no one profile gives an appreciably better fit in the CMB model.

Hardness depth profile of lattice strained cemented carbide modified by high-energy boron ion implantation

NASA Astrophysics Data System (ADS)

Yoshida, Y.; Matsumura, A.; Higeta, K.; Inoue, T.; Shimizu, S.; Motonami, Y.; Sato, M.; Sadahiro, T.; Fujii, K.

1991-07-01

The hardness depth profiles of cemented carbides which were implanted with high-energy B + ions have been estimated using a dynamic microhardness tester. The B + implantations into (16% Co)-cemented WC alloys were carried out under conditions where the implantation energies were 1-3 MeV and the fluences 1 × 10 17-1 × 10 18ions/cm 2. The profiles show that the implanted layer becomes harder as fluences are chosen at higher values and there is a peak at a certain depth which depends on the implantation energy. In X-ray diffraction (XRD) studies of the implanted surface the broadened refraction peaks of only WC and Co are detected and the increments of lattice strain and of residual stress in the near-surface region are observed. It is supposed that the hardening effect should be induced by an increase in residual stress produced by lattice strain. The hardness depth profile in successive implantation of ions with different energies agrees with the compounded profile of each one of the implantations. It is concluded that the hardness depth profile can be controlled under adequate conditions of implantation.

The high - low-p clinoenstatite transition: in situ xrd and ultrasonic study

NASA Astrophysics Data System (ADS)

Müller, H. J.; Wunder, B.; Lathe, C.; Schilling, F. R.

2003-04-01

Using single-crystal X-ray diffraction analyses in a diamond anvil cell Angel et al. (1992) published the transformation of MgSiO_3 from LCEn to a C2/c-polymorph (HCEn) at around 5.5 - 8.0 GPa and room-T (RT)conditions. This LCEn - HCEn-transition is not quenchable. However, the knowledge of the exact phase boundary positions for the MgSiO_3-transitions is essential as pyroxene is an important component of the Earth's mantle and will significantly influence elastic properties (e.g. v_p, v_s) of the mantle. We determined the HCEn - LCEn-transition by in-situ XRD experiments under high P, T using the multi-anvil appar atus MAX80 at the synchrotron facility HASYLAB, Hamburg. Our preliminary results only represent the minimum P-conditions of the HCEn - LCEn phase boundary, which is approximated by equation P (GPa) = 0.0021T (/C) + 6.06. Nevertheless, our results are in good agreement to data published by Angel & Hugh-Jones (1994). The invariant point defined by the intersection of the HCEn - LCEn equilibrium determined within this study and the OEn - LCEn reaction after Angel &Hugh-Jones (1994) lies at about 7.9 GPa and 875/C. This is in contrast to earlier experimental results of Kanzaki (1991) and Ulmer &Stalder (2001). The samples for the ultrasonic interferometry experiments were prepared by hot-isostatic pressing also using the MAX80. Adjacent XRD ruled out any phase transition during the hip-process. For the ultrasonic measurements one of the six anvils of MAX80 were exchanged by an anvil equipped with lithium niobate p- and s-wave transducers of 33.3 MHz natural frequency (Mueller et al., 2002). Corresponding to the XRD experiments HCEn was formed by increasing the pressure at RT. The velocities of elastic compressional and shear waves were measured under in situ conditions using the classical digital sweep technique. After the phase transition to LCEn as a result of rising the temperature at given pressure the measurements were repeated. The newly developed

Modeling and prediction of extraction profile for microwave-assisted extraction based on absorbed microwave energy.

PubMed

Chan, Chung-Hung; Yusoff, Rozita; Ngoh, Gek-Cheng

2013-09-01

A modeling technique based on absorbed microwave energy was proposed to model microwave-assisted extraction (MAE) of antioxidant compounds from cocoa (Theobroma cacao L.) leaves. By adapting suitable extraction model at the basis of microwave energy absorbed during extraction, the model can be developed to predict extraction profile of MAE at various microwave irradiation power (100-600 W) and solvent loading (100-300 ml). Verification with experimental data confirmed that the prediction was accurate in capturing the extraction profile of MAE (R-square value greater than 0.87). Besides, the predicted yields from the model showed good agreement with the experimental results with less than 10% deviation observed. Furthermore, suitable extraction times to ensure high extraction yield at various MAE conditions can be estimated based on absorbed microwave energy. The estimation is feasible as more than 85% of active compounds can be extracted when compared with the conventional extraction technique. Copyright © 2013 Elsevier Ltd. All rights reserved.

Seasonal ozone vertical profiles over North America using the AQMEII group of air quality models: model inter-comparison and stratospheric intrusion

EPA Science Inventory

This study utilizes simulations for the North American domain from four modeling groups that participated in the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3) to evaluate seasonal ozone vertical profiles simulated for the year 2010 against ozo...

Structural investigations in helium implanted cubic zirconia using grazing incidence XRD and EXAFS spectroscopy

NASA Astrophysics Data System (ADS)

Kuri, G.; Degueldre, C.; Bertsch, J.; Döbeli, M.

2010-06-01

The crystal structure and local atom arrangements surrounding Zr atoms were determined for a helium implanted cubic stabilized zirconia (CSZ) using X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively, measured at glancing angles. The implanted specimen was prepared at a helium fluence of 2 × 10 16 cm -2 using He + beams at two energies (2.54 and 2.74 MeV) passing through a 8.0 μm Al absorber foil. XRD results identified the formation of a new rhombohedral phase in the helium embedded layer, attributed to internal stress as a result of expansion of the CSZ-lattice. Zr K-edge EXAFS data suggested loss of crystallinity in the implanted lattice and disorder of the Zr atoms environment. EXAFS Fourier transforms analysis showed that the average first-shell radius of the Zr sbnd O pair in the implanted sample was slightly larger than that of the CSZ standard. Common general disorder features were explained by rhombohedral type short-range ordered clusters. The average structural parameters estimated from the EXAFS data of unimplanted and implanted CSZ are compared and discussed. Potential of EXAFS as a local probe of atomic-scale structural modifications induced by helium implantation in CSZ is demonstrated.

Behavioral profiling as a translational approach in an animal model of posttraumatic stress disorder.

PubMed

Ardi, Ziv; Albrecht, Anne; Richter-Levin, Alon; Saha, Rinki; Richter-Levin, Gal

2016-04-01

Diagnosis of psychiatric disorders in humans is based on comparing individuals to the normal population. However, many animal models analyze averaged group effects, thus compromising their translational power. This discrepancy is particularly relevant in posttraumatic stress disorder (PTSD), where only a minority develop the disorder following a traumatic experience. In our PTSD rat model, we utilize a novel behavioral profiling approach that allows the classification of affected and unaffected individuals in a trauma-exposed population. Rats were exposed to underwater trauma (UWT) and four weeks later their individual performances in the open field and elevated plus maze were compared to those of the control group, allowing the identification of affected and resilient UWT-exposed rats. Behavioral profiling revealed that only a subset of the UWT-exposed rats developed long-lasting behavioral symptoms. The proportion of affected rats was further enhanced by pre-exposure to juvenile stress, a well-described risk factor of PTSD. For a biochemical proof of concept we analyzed the expression levels of the GABAA receptor subunits α1 and α2 in the ventral, dorsal hippocampus and basolateral amygdala. Increased expression, mainly of α1, was observed in ventral but not dorsal hippocampus of exposed animals, which would traditionally be interpreted as being associated with the exposure-resultant psychopathology. However, behavioral profiling revealed that this increased expression was confined to exposed-unaffected individuals, suggesting a resilience-associated expression regulation. The results provide evidence for the importance of employing behavioral profiling in animal models of PTSD, in order to better understand the neural basis of stress vulnerability and resilience. Copyright © 2016 Elsevier Inc. All rights reserved.

Microbial community dynamics in soil aggregates shape biogeochemical gas fluxes from soil profiles - upscaling an aggregate biophysical model.

PubMed

Ebrahimi, Ali; Or, Dani

2016-09-01

Microbial communities inhabiting soil aggregates dynamically adjust their activity and composition in response to variations in hydration and other external conditions. These rapid dynamics shape signatures of biogeochemical activity and gas fluxes emitted from soil profiles. Recent mechanistic models of microbial processes in unsaturated aggregate-like pore networks revealed a highly dynamic interplay between oxic and anoxic microsites jointly shaped by hydration conditions and by aerobic and anaerobic microbial community abundance and self-organization. The spatial extent of anoxic niches (hotspots) flicker in time (hot moments) and support substantial anaerobic microbial activity even in aerated soil profiles. We employed an individual-based model for microbial community life in soil aggregate assemblies represented by 3D angular pore networks. Model aggregates of different sizes were subjected to variable water, carbon and oxygen contents that varied with soil depth as boundary conditions. The study integrates microbial activity within aggregates of different sizes and soil depth to obtain estimates of biogeochemical fluxes from the soil profile. The results quantify impacts of dynamic shifts in microbial community composition on CO2 and N2 O production rates in soil profiles in good agreement with experimental data. Aggregate size distribution and the shape of resource profiles in a soil determine how hydration dynamics shape denitrification and carbon utilization rates. Results from the mechanistic model for microbial activity in aggregates of different sizes were used to derive parameters for analytical representation of soil biogeochemical processes across large scales of practical interest for hydrological and climate models. © 2016 John Wiley & Sons Ltd.

X-Ray Diffraction Profile Analysis for Characterizing Isothermal Aging Behavior of M250 Grade Maraging Steel

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Jayakumar, T.; Rao, B. P. C.; Kumar, Anish; Rajkumar, K. V.; Raj, Baldev

2008-08-01

X-ray diffraction (XRD) studies were carried out to characterize aging behavior of M250 grade maraging steel samples subjected to isothermal aging at 755 K for varying durations of 0.25, 1, 3, 10, 40, 70, and 100 hours. Earlier studies had shown typical features of precipitation hardening, wherein the hardness increased to a peak value due to precipitation of intermetallics and decreased upon further aging (overaging) due to reversion of martensite to austenite. Intermetallic precipitates, while coherent, are expected to increase the microstrain in the matrix. Hence, an attempt has been made in the present study to understand the microstructural changes in these samples using XRD line profile analysis. The anisotropic broadening with diffraction angle observed in the simple Williamson Hall (WH) plot has been addressed using the modified WH (mWH) approach, which takes into account the contrast caused by dislocations on line profiles, leading to new scaling factors in the WH plot. The normalized mean square strain and crystallite size estimated from mWH have been used to infer early precipitation and to characterize aging behavior. The normalized mean square strain has been used to determine the Avrami exponent in the Johnson Mehl Avrami (JMA) equation, which deals with the kinetics of precipitation. The Avrami exponent thus determined has matched well with values found by other methods, as reported in literature.

Modeling Electrokinetic Flows by the Smoothed Profile Method

PubMed Central

Luo, Xian; Beskok, Ali; Karniadakis, George Em

2010-01-01

We propose an efficient modeling method for electrokinetic flows based on the Smoothed Profile Method (SPM) [1–4] and spectral element discretizations. The new method allows for arbitrary differences in the electrical conductivities between the charged surfaces and the the surrounding electrolyte solution. The electrokinetic forces are included into the flow equations so that the Poisson-Boltzmann and electric charge continuity equations are cast into forms suitable for SPM. The method is validated by benchmark problems of electroosmotic flow in straight channels and electrophoresis of charged cylinders. We also present simulation results of electrophoresis of charged microtubules, and show that the simulated electrophoretic mobility and anisotropy agree with the experimental values. PMID:20352076

Pressure and velocity profiles in a static mechanical hemilarynx model

NASA Astrophysics Data System (ADS)

Alipour, Fariborz; Scherer, Ronald C.

2002-12-01

This study examined pressure and velocity profiles in a hemilarynx mechanical model of phonation. The glottal section had parallel walls and was fabricated from hard plastic. Twelve pressure taps were created in the vocal fold surface and connected to a differential pressure transducer through a pressure switch. The glottal gap was measured with feeler gauges and the uniform glottal duct was verified by use of a laser system. Eight pressure transducers were placed in the flat wall opposite the vocal fold. Hot-wire anemometry was used to obtain velocity profiles upstream and downstream of the glottis. The results indicate that the pressure distribution on the vocal fold surface was consistent with pressure change along a parallel duct, whereas the pressures on the opposite flat wall typically were lower (by 8%-40% of the transglottal pressure just past mid-glottis). The upstream velocity profiles were symmetric regardless of the constriction shape and size. The jet flow downstream of the glottis was turbulent even for laminar upstream conditions. The front of the jet was consistently approximately 1.5 mm from the flat wall for glottal gaps of 0.4, 0.8 and 1.2 mm. The turbulence intensity also remained approximately at the same location of about 4 mm from the flat wall for the two larger gaps.

Pressure and velocity profiles in a static mechanical hemilarynx model.

PubMed

Alipour, Fariborz; Scherer, Ronald C

2002-12-01

This study examined pressure and velocity profiles in a hemilarynx mechanical model of phonation. The glottal section had parallel walls and was fabricated from hard plastic. Twelve pressure taps were created in the vocal fold surface and connected to a differential pressure transducer through a pressure switch. The glottal gap was measured with feeler gauges and the uniform glottal duct was verified by use of a laser system. Eight pressure transducers were placed in the flat wall opposite the vocal fold. Hot-wire anemometry was used to obtain velocity profiles upstream and downstream of the glottis. The results indicate that the pressure distribution on the vocal fold surface was consistent with pressure change along a parallel duct, whereas the pressures on the opposite flat wall typically were lower (by 8%-40% of the transglottal pressure just past mid-glottis). The upstream velocity profiles were symmetric regardless of the constriction shape and size. The jet flow downstream of the glottis was turbulent even for laminar upstream conditions. The front of the jet was consistently approximately 1.5 mm from the flat wall for glottal gaps of 0.4, 0.8 and 1.2 mm. The turbulence intensity also remained approximately at the same location of about 4 mm from the flat wall for the two larger gaps.

Transposon identification using profile HMMs

PubMed Central

2010-01-01

Background Transposons are "jumping genes" that account for large quantities of repetitive content in genomes. They are known to affect transcriptional regulation in several different ways, and are implicated in many human diseases. Transposons are related to microRNAs and viruses, and many genes, pseudogenes, and gene promoters are derived from transposons or have origins in transposon-induced duplication. Modeling transposon-derived genomic content is difficult because they are poorly conserved. Profile hidden Markov models (profile HMMs), widely used for protein sequence family modeling, are rarely used for modeling DNA sequence families. The algorithm commonly used to estimate the parameters of profile HMMs, Baum-Welch, is prone to prematurely converge to local optima. The DNA domain is especially problematic for the Baum-Welch algorithm, since it has only four letters as opposed to the twenty residues of the amino acid alphabet. Results We demonstrate with a simulation study and with an application to modeling the MIR family of transposons that two recently introduced methods, Conditional Baum-Welch and Dynamic Model Surgery, achieve better estimates of the parameters of profile HMMs across a range of conditions. Conclusions We argue that these new algorithms expand the range of potential applications of profile HMMs to many important DNA sequence family modeling problems, including that of searching for and modeling the virus-like transposons that are found in all known genomes. PMID:20158867

Cold-Cap Temperature Profile Comparison between the Laboratory and Mathematical Model

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

Dixon, Derek R.; Schweiger, Michael J.; Riley, Brian J.

2015-06-01

The rate of waste vitrification in an electric melter is connected to the feed-to-glass conversion process, which occurs in the cold cap, a layer of reacting feed on top of molten glass. The cold cap consists of two layers: a low temperature (~100°C – ~800°C) region of unconnected feed and a high temperature (~800°C – ~1100°C) region of foam with gas bubbles and cavities mixed in the connected glass melt. A recently developed mathematical model describes the effect of the cold cap on glass production. For verification of the mathematical model, a laboratory-scale melter was used to produce a coldmore » cap that could be cross-sectioned and polished in order to determine the temperature profile related to position in the cold cap. The cold cap from the laboratory-scale melter exhibited an accumulation of feed ~400°C due to radiant heat from the molten glass creating dry feed conditions in the melter, which was not the case in the mathematical model where wet feed conditions were calculated. Through the temperature range from ~500°C – ~1100°C, there was good agreement between the model and the laboratory cold cap. Differences were observed between the two temperature profiles due to the temperature of the glass melts and the lack of secondary foam, large cavities, and shrinkage of the primary foam bubbles upon the cooling of the laboratory-scale cold cap.« less

Performance modeling of ultraviolet Raman lidar systems for daytime profiling of atmospheric water vapor

NASA Technical Reports Server (NTRS)

Ferrare, R. A.; Whiteman, D. N.; Melfi, S. H.; Goldsmith, J. E. M.; Bisson, S. E.; Lapp, M.

1991-01-01

We describe preliminary results from a comprehensive computer model developed to guide optimization of a Raman lidar system for measuring daytime profiles of atmospheric water vapor, emphasizing an ultraviolet, solar-blind approach.

Reduction of mixed Mn-Zr oxides: in situ XPS and XRD studies.

PubMed

Bulavchenko, O A; Vinokurov, Z S; Afonasenko, T N; Tsyrul'nikov, P G; Tsybulya, S V; Saraev, A A; Kaichev, V V

2015-09-21

A series of mixed Mn-Zr oxides with different molar ratios Mn/Zr (0.1-9) have been prepared by coprecipitation of manganese and zirconium nitrates and characterized by X-ray diffraction (XRD) and BET methods. It has been found that at concentrations of Mn below 30 at%, the samples are single-phase solid solutions (MnxZr1-xO2-δ) based on a ZrO2 structure. X-ray photoelectron spectroscopy (XPS) measurements showed that manganese in these solutions exists mainly in the Mn(4+) state on the surface. An increase in Mn content mostly leads to an increase in the number of Mn cations in the structure of solid solutions; however, a part of the manganese cations form Mn2O3 and Mn3O4 in the crystalline and amorphous states. The reduction of these oxides with hydrogen was studied by a temperature-programmed reduction technique, in situ XRD, and near ambient pressure XPS in the temperature range from 100 to 650 °C. It was shown that the reduction of the solid solutions MnxZr1-xO2-δ proceeds via two stages. During the first stage, at temperatures between 100 and 500 °C, the Mn cations incorporated into the solid solutions MnxZr1-xO2-δ undergo partial reduction. During the second stage, at temperatures between 500 and 700 °C, Mn cations segregate on the surface of the solid solution. In the samples with more than 30 at% Mn, the reduction of manganese oxides was observed: Mn2O3 → Mn3O4 → MnO.

Leonardo da Vinci's drapery studies: characterization of lead white pigments by µ-XRD and 2D scanning XRF

NASA Astrophysics Data System (ADS)

Gonzalez, Victor; Calligaro, Thomas; Pichon, Laurent; Wallez, Gilles; Mottin, Bruno

2015-11-01

This work focuses on the composition and microstructure of the lead white pigment employed in a set of paintworks, using a combination of µ-XRD and 2D scanning XRF, directly applied on five drapery studies attributed to Leonardo da Vinci (1452-1519) and conserved in the Département des Arts Graphiques, Musée du Louvre and in the Musée des Beaux- Arts de Rennes. Trace elements present in the composition as well as in the lead white highlights were imaged by 2D scanning XRF. Mineral phases were determined in a fully noninvasive way using a special µ-XRD diffractometer. Phase proportions were estimated by Rietveld refinement. The analytical results obtained will contribute to differentiate lead white qualities and to highlight the artist's technique.

An exploratory method to detect tephras from quantitative XRD scans: Examples from Iceland and east Greenland marine sediments

USGS Publications Warehouse

Andrews, John T.; Eberl, D.D.; Kristjansdottir, G.B.

2006-01-01

Tephras, mainly from Iceland, are becoming increasingly important in interpreting leads and lags in the Holocene climate system across NW Europe. Here we demonstrate that Quantitative Phase Analysis of x-ray diffractograms of the 150 um fraction and identify these same peaks in XRD scans - two of these correlate geochemically and chronologically with Hekla 1104 and 3. At a distal site to the WNW of Iceland, on the East Greenland margin (core MD99-2317), the weight% of volcanic glass reaches values of 11% at about the time of the Saksunarvatn tephra. The XRD method identifies the presence of volcanic glass but not its elemental composition; hence it will assist in focusing attention on specific sections of sediment cores for subsequent geochemical fingerprinting of tephras. ?? 2006 SAGE Publications.

Physics-model-based nonlinear actuator trajectory optimization and safety factor profile feedback control for advanced scenario development in DIII-D

DOE PAGES

Barton, Justin E.; Boyer, Mark D.; Shi, Wenyu; ...

2015-07-30

DIII-D experimental results are reported to demonstrate the potential of physics-model-based safety factor profile control for robust and reproducible sustainment of advanced scenarios. In the absence of feedback control, variability in wall conditions and plasma impurities, as well as drifts due to external disturbances, can limit the reproducibility of discharges with simple pre-programmed scenario trajectories. The control architecture utilized is a feedforward + feedback scheme where the feedforward commands are computed off-line and the feedback commands are computed on-line. In this work, firstly a first-principles-driven (FPD), physics-based model of the q profile and normalized beta (β N) dynamics is embeddedmore » into a numerical optimization algorithm to design feedforward actuator trajectories that sheer the plasma through the tokamak operating space to reach a desired stationary target state that is characterized by the achieved q profile and β N. Good agreement between experimental results and simulations demonstrates the accuracy of the models employed for physics-model-based control design. Secondly, a feedback algorithm for q profile control is designed following a FPD approach, and the ability of the controller to achieve and maintain a target q profile evolution is tested in DIII-D high confinement (H-mode) experiments. The controller is shown to be able to effectively control the q profile when β N is relatively close to the target, indicating the need for integrated q profile and β N control to further enhance the ability to achieve robust scenario execution. Furthermore, the ability of an integrated q profile + β N feedback controller to track a desired target is demonstrated through simulation.« less

[Research on characteristics of soil clay mineral evolution in paddy field and dry land by XRD spectrum].

PubMed

Zhang, Zhi-dan; Li, Qiao; Luo, Xiang-li; Jiang, Hai-chao; Zheng, Qing-fu; Zhao, Lan-po; Wang, Ji-hong

2014-08-01

The present paper took the typical saline-alkali soil in Jilin province as study object, and determinated the soil clay mineral composition characteristics of soil in paddy field and dry land. Then XRD spectrum was used to analyze the evolutionary mechanism of clay mineral in the two kinds of soil. The results showed that the physical and chemical properties of soil in paddy field were better than those in dry land, and paddy field would promote the weathering of mineral particles in saline-alkali soil and enhance the silt content. Paddy field soil showed a strong potassium-removal process, with a higher degree of clay mineral hydration and lower degree of illite crystallinity. Analysis of XRD spectrum showed that the clay mineral composition was similar in two kinds of soil, while the intensity and position of diffraction peak showed difference. The evolution process of clay mineral in dry land was S/I mixture-->vermiculite, while in paddy field it was S/I mixture-->vermiculite-->kaolinite. One kind of hydroxylated 'chlorite' mineral would appear in saline-alkali soil in long-term cultivated paddy field. Taking into account that the physical and chemical properties of soil in paddy field were better then those in dry land, we could know that paddy field could help much improve soil structure, cultivate high-fertility soil and improve saline-alkali soil. This paper used XRD spectrum to determine the characteristics of clay minerals comprehensively, and analyzed two'kinds of land use comparatively, and was a new perspective of soil minerals study.

Profile modification computations for LHCD experiments on PBX-M using the TSC/LSC model

NASA Astrophysics Data System (ADS)

Kaita, R.; Ignat, D. W.; Jardin, S. C.; Okabayashi, M.; Sun, Y. C.

1996-02-01

The TSC-LSC computational model of the dynamics of lower hybrid current drive has been exercised extensively in comparison with data from a Princeton Beta Experiment-Modification (PBX-M) discharge where the measured q(0) attained values slightly above unity. Several significant, but plausible, assumptions had to be introduced to keep the computation from behaving pathologically over time, producing singular profiles of plasma current density and q. Addition of a heuristic current diffusion estimate, or more exactly, a smoothing of the rf-driven current with a diffusion-like equation, greatly improved the behavior of the computation, and brought theory and measurement into reasonable agreement. The model was then extended to longer pulse lengths and higher powers to investigate performance to be expected in future PBX-M current profile modification experiments.

Synthesis of line profiles from models of structured winds

NASA Technical Reports Server (NTRS)

Puls, J.; Feldmeier, A.; Springmann, U. W. E.; Owocki, S. P.; Fullerton, A. W.

1994-01-01

On the basis of a careful analysis of resonance line formation (both for singlets and doublets) in structured winds, present time dependent models of the line driven winds of hot stars are shown to be able to explain a number of observational features with respect to variability and structure: they are (in principle) able to reproduce the black and broad troughs (without any artificial 'turbulence velocity') and the 'blue edge variability' observed in saturate resonance lines: they might explain the 'long lived narrow absorption components' often observed in unsaturated lines at high velocities; they predict a relation between the 'edge velocity' of UV-lines and the radiation temperature of the observed X-ray emission. As a first example of the extent to which theoretical models can be constrained by comparisons between observations and profiles calculated by spectrum synthesis from structured winds, we show here that models with deep-seated onset of structure formation (approximately greater than 1.1 R(sub *)) produce resonance lines which agree qualitatively with observational findings; in contrast, the here presented models with structure formation only well out in the wind (approximately greater than 1.6 R(sub *) fail in this respect.

Modeling Diurnal and Seasonal 3D Light Profiles in Amazon Forests

NASA Astrophysics Data System (ADS)

Morton, D. C.; Rubio, J.; Gastellu-Etchegorry, J.; Cook, B. D.; Hunter, M. O.; Yin, T.; Nagol, J. R.; Keller, M. M.

2013-12-01

The complex horizontal and vertical structure in tropical forests generates a diversity of light environments for canopy and understory trees. These 3D light profiles are dynamic on diurnal and seasonal time scales based on changes in solar illumination and the fraction of diffuse light. Understanding this variability is critical for improving ecosystem models and interpreting optical and LiDAR remote sensing data from tropical forests. Here, we initialized the Discrete Anisotropic Radiative Transfer (DART) model using dense airborne LiDAR data (>20 returns m2) from three forest sites in the central and eastern Amazon. Forest scenes derived from airborne LiDAR data were tested using modeled and observed large-footprint LiDAR data from the ICESat-GLAS sensor. Next, diurnal and seasonal profiles of photosynthetically active radiation (PAR) for each forest site were simulated under clear sky and cloudy conditions using DART. Incident PAR was summarized for canopy, understory, and ground levels. Our study illustrates the importance of realistic canopy models for accurate representation of LiDAR and optical radiative transfer. In particular, canopy rugosity and ground topography information from airborne LiDAR data provided critical 3D information that cannot be recreated using stem maps and allometric relationships for crown dimensions. The spatial arrangement of canopy trees altered PAR availability, even for dominant individuals, compared to downwelling measurements from nearby eddy flux towers. Pseudo-realistic branch and leaf architecture was also essential for recreating multiple scattering within canopies at near-infrared wavelengths commonly used for LiDAR remote sensing and quantifying PAR attenuation from shading within and between canopies. These findings point to the need for more spatial information on forest structure to improve the representation of light availability in models of tropical forest productivity.

Campus Profile 98.

ERIC Educational Resources Information Center

Glendale Community Coll., CA. Planning and Research Office.

Glendale Community College's Campus Profile is designed to assist faculty, staff, and students in understanding the college's diverse operations. Organized around an outline from the state accountability model, this statistical report focuses on the academic years 1995-1997. "Campus Profile '98" includes more accountability performance…

XRF, μ-XRD and μ-spectroscopic techniques for revealing the composition and structure of paint layers on polychrome sculptures after multiple restorations.

PubMed

Franquelo, M L; Duran, A; Castaing, J; Arquillo, D; Perez-Rodriguez, J L

2012-01-30

This paper presents the novel application of recently developed analytical techniques to the study of paint layers on sculptures that have been restored/repainted several times across centuries. Analyses were performed using portable XRF, μ-XRD and μ-Raman instruments. Other techniques, such as optical microscopy, SEM-EDX and μ-FTIR, were also used. Pigments and other materials including vermilion, minium, red lac, ivory black, lead white, barium white, zinc white (zincite), titanium white (rutile and anatase), lithopone, gold and brass were detected. Pigments from both ancient and modern times were found due to the different restorations/repaintings carried out. μ-Raman was very useful to characterise some pigments that were difficult to determine by μ-XRD. In some cases, pigments identification was only possible by combining results from the different analytical techniques used in this work. This work is the first article devoted to the study of sculpture cross-section samples using laboratory-made μ-XRD systems. Copyright © 2011 Elsevier B.V. All rights reserved.

Using airborne laser scanning profiles to validate marine geoid models

NASA Astrophysics Data System (ADS)

Julge, Kalev; Gruno, Anti; Ellmann, Artu; Liibusk, Aive; Oja, Tõnis

2014-05-01

Airborne laser scanning (ALS) is a remote sensing method which utilizes LiDAR (Light Detection And Ranging) technology. The datasets collected are important sources for large range of scientific and engineering applications. Mostly the ALS is used to measure terrain surfaces for compilation of Digital Elevation Models but it can also be used in other applications. This contribution focuses on usage of ALS system for measuring sea surface heights and validating gravimetric geoid models over marine areas. This is based on the ALS ability to register echoes of LiDAR pulse from the water surface. A case study was carried out to analyse the possibilities for validating marine geoid models by using ALS profiles. A test area at the southern shores of the Gulf of Finland was selected for regional geoid validation. ALS measurements were carried out by the Estonian Land Board in spring 2013 at different altitudes and using different scan rates. The one wavelength Leica ALS50-II laser scanner on board of a small aircraft was used to determine the sea level (with respect to the GRS80 reference ellipsoid), which follows roughly the equipotential surface of the Earth's gravity field. For the validation a high-resolution (1'x2') regional gravimetric GRAV-GEOID2011 model was used. This geoid model covers the entire area of Estonia and surrounding waters of the Baltic Sea. The fit between the geoid model and GNSS/levelling data within the Estonian dry land revealed RMS of residuals ±1… ±2 cm. Note that such fitting validation cannot proceed over marine areas. Therefore, an ALS observation-based methodology was developed to evaluate the GRAV-GEOID2011 quality over marine areas. The accuracy of acquired ALS dataset were analyzed, also an optimal width of nadir-corridor containing good quality ALS data was determined. Impact of ALS scan angle range and flight altitude to obtainable vertical accuracy were investigated as well. The quality of point cloud is analysed by cross

Mössbauer, TEM/SAED and XRD investigation on waste dumps of the Valea lui Stan gold mines

NASA Astrophysics Data System (ADS)

Constantinescu, Serban Grigore; Udubasa, Sorin S.; Udubasa, Gheorghe; Kuncser, Victor; Popescu-Pogrion, Nicoleta; Mercioniu, Ionel; Feder, Marcel

2012-03-01

The complementary investigation techniques, Mössbauer spectroscopy, transmission electron microscopy with selected area electron diffraction (TEM/SAED), X-ray diffraction (XRD) have been used to investigate the fate of the Valea lui Stan, Romania, gold-ore nanoscale-minerals during the long time of residence in the waste dumps. The preliminary investigations showed such waste dumps to contain significant amount of metals which cannot be identified by conventional methods. An intense research activity started up in order to evaluate the possibilities to recycle Valea lui Stan waste dumps and to recover metals by chemical or phytoextraction procedures. The waste dumps naturally show different mineral constituents with clay minerals as major phases, observed by XRD-technique. Although the waste dumps materials have whitish-yellowish colours, MÖSSBAUER technique evidences the presence of the finely dispersed iron bearing minerals. The authors are focusing to inspect and analyze Fe-compounds in the samples collected from Valea lui Stan's waste dumps in order to identify the magnetic phases by Mössbauer technique.

Investigation of composition and structure of spongy and hard bone tissue using FTIR spectroscopy, XRD and SEM

NASA Astrophysics Data System (ADS)

Al-Akhras, M.-Ali H.; Hasan Qaseer, M. K.; Albiss, B. A.; Alebrhim, M. Anwar; Gezawa, Umar S.

2018-02-01

Valuable structural and chemical features can be obtained for spongy and hard bone by infrared spectroscopy and X-ray diffraction. A better understanding of chemical and structural differences between spongy and hard bone is a very important contributor to bone quality. Our data according to IR data showed that the collagen cross-links occurred to be higher in spongy bone, and crystallinity was lower in spongy bone. Deconvolution of the infrared band near 870 cm-1 reveals evidence for A2-type carbonate substitution on hydroxyapatite of spongy bone in addition to the A and B type carbonate substitution that are also found in hard bone. IR and XRD data confirmed the results of each other since full width at half maximum of 002-apatite pattern of XRD showed that the crystallinity was lower in spongy bone. The microstructure was examined by using scanning electron microscope and the result showed that the lattice of thin threads in spongy bone and is less dense than hard bone.

Hydrometallurgical Extraction of Zinc and Copper A 57Fe-Mössbauer and XRD Approach

NASA Astrophysics Data System (ADS)

Mulaba-Bafubiandi, A. F.; Waanders, F. B.

2005-02-01

The most commonly used route in the hydrometallurgical extraction of zinc and copper from a sulphide ore is the concentrate roast leach electro winning process. In the present investigation a zinc copper ore from the Maranda mine, located in the Murchison Greenstone Belt, South Africa, containing sphalerite (ZnS) and chalcopyrite (CuFeS2), was studied. The 57Fe-Mössbauer spectrum of the concentrate yielded pyrite, chalcopyrite and clinochlore, consistent with XRD data. Optimal roasting conditions were found to be 900°C for 3 h and the calcine produced contained according to X-ray diffractometry equal amounts of franklinite (ZnFe2O4) and zinc oxide (ZnO) and half the amount of willemite (Zn2SiO4). The Mössbauer spectrum showed predominantly franklinite (59%), hematite (6%) and other Zn- or Cu-depleted ferrites (35%). The latter could not be detected by XRD analyses as peak overlapping with other species occurred. Leaching was done with HCl, H2SO4 and HNO3, to determine which process would result in maximum recovery of Zn and Cu. More than 80% of both were recovered by using either one of the three techniques. From the residue of the leaching, the Fe-compounds were precipitated and <1% of the Zn and Cu was not recovered.

Comparison of modeled and experimental PV array temperature profiles for accurate interpretation of module performance and degradation

NASA Astrophysics Data System (ADS)

Elwood, Teri; Simmons-Potter, Kelly

2017-08-01

Quantification of the effect of temperature on photovoltaic (PV) module efficiency is vital to the correct interpretation of PV module performance under varied environmental conditions. However, previous work has demonstrated that PV module arrays in the field are subject to significant location-based temperature variations associated with, for example, local heating/cooling and array edge effects. Such thermal non-uniformity can potentially lead to under-prediction or over-prediction of PV array performance due to an incorrect interpretation of individual module temperature de-rating. In the current work, a simulated method for modeling the thermal profile of an extended PV array has been investigated through extensive computational modeling utilizing ANSYS, a high-performance computational fluid dynamics (CFD) software tool. Using the local wind speed as an input, simulations were run to determine the velocity at particular points along modular strings corresponding to the locations of temperature sensors along strings in the field. The point velocities were utilized along with laminar flow theories in order to calculate Nusselt's number for each point. These calculations produced a heat flux profile which, when combined with local thermal and solar radiation profiles, were used as inputs in an ANSYS Thermal Transient model that generated a solar string operating temperature profile. A comparison of the data collected during field testing, and the data fabricated by ANSYS simulations, will be discussed in order to authenticate the accuracy of the model.

New geometric design consistency model based on operating speed profiles for road safety evaluation.

PubMed

Camacho-Torregrosa, Francisco J; Pérez-Zuriaga, Ana M; Campoy-Ungría, J Manuel; García-García, Alfredo

2013-12-01

To assist in the on-going effort to reduce road fatalities as much as possible, this paper presents a new methodology to evaluate road safety in both the design and redesign stages of two-lane rural highways. This methodology is based on the analysis of road geometric design consistency, a value which will be a surrogate measure of the safety level of the two-lane rural road segment. The consistency model presented in this paper is based on the consideration of continuous operating speed profiles. The models used for their construction were obtained by using an innovative GPS-data collection method that is based on continuous operating speed profiles recorded from individual drivers. This new methodology allowed the researchers to observe the actual behavior of drivers and to develop more accurate operating speed models than was previously possible with spot-speed data collection, thereby enabling a more accurate approximation to the real phenomenon and thus a better consistency measurement. Operating speed profiles were built for 33 Spanish two-lane rural road segments, and several consistency measurements based on the global and local operating speed were checked. The final consistency model takes into account not only the global dispersion of the operating speed, but also some indexes that consider both local speed decelerations and speeds over posted speeds as well. For the development of the consistency model, the crash frequency for each study site was considered, which allowed estimating the number of crashes on a road segment by means of the calculation of its geometric design consistency. Consequently, the presented consistency evaluation method is a promising innovative tool that can be used as a surrogate measure to estimate the safety of a road segment. Copyright © 2012 Elsevier Ltd. All rights reserved.

A Context-Aware-Based Audio Guidance System for Blind People Using a Multimodal Profile Model

PubMed Central

Lin, Qing; Han, Youngjoon

2014-01-01

A wearable guidance system is designed to provide context-dependent guidance messages to blind people while they traverse local pathways. The system is composed of three parts: moving scene analysis, walking context estimation and audio message delivery. The combination of a downward-pointing laser scanner and a camera is used to solve the challenging problem of moving scene analysis. By integrating laser data profiles and image edge profiles, a multimodal profile model is constructed to estimate jointly the ground plane, object locations and object types, by using a Bayesian network. The outputs of the moving scene analysis are further employed to estimate the walking context, which is defined as a fuzzy safety level that is inferred through a fuzzy logic model. Depending on the estimated walking context, the audio messages that best suit the current context are delivered to the user in a flexible manner. The proposed system is tested under various local pathway scenes, and the results confirm its efficiency in assisting blind people to attain autonomous mobility. PMID:25302812

Profile-likelihood Confidence Intervals in Item Response Theory Models.

PubMed

Chalmers, R Philip; Pek, Jolynn; Liu, Yang

2017-01-01

Confidence intervals (CIs) are fundamental inferential devices which quantify the sampling variability of parameter estimates. In item response theory, CIs have been primarily obtained from large-sample Wald-type approaches based on standard error estimates, derived from the observed or expected information matrix, after parameters have been estimated via maximum likelihood. An alternative approach to constructing CIs is to quantify sampling variability directly from the likelihood function with a technique known as profile-likelihood confidence intervals (PL CIs). In this article, we introduce PL CIs for item response theory models, compare PL CIs to classical large-sample Wald-type CIs, and demonstrate important distinctions among these CIs. CIs are then constructed for parameters directly estimated in the specified model and for transformed parameters which are often obtained post-estimation. Monte Carlo simulation results suggest that PL CIs perform consistently better than Wald-type CIs for both non-transformed and transformed parameters.

Effect of interparticle interactions on size determination of zirconia and silica based systems – A comparison of SAXS, DLS, BET, XRD and TEM

PubMed Central

Pabisch, Silvia; Feichtenschlager, Bernhard; Kickelbick, Guido; Peterlik, Herwig

2012-01-01

The aim of this work is a systematic comparison of size characterisation methods for two completely different model systems of oxide nanoparticles, i.e. amorphous spherical silica and anisotropic facet-shaped crystalline zirconia. Size and/or size distribution were determined in a wide range from 5 to 70 nm using small-angle X-ray scattering (SAXS), dynamic light scattering (DLS), nitrogen sorption (BET), X-ray diffraction (XRD) and transmission electron microscopy (TEM). A nearly perfect coincidence was observed only for SAXS and TEM for both types of particles. For zirconia nanoparticles considerable differences between different measurement methods were observed. PMID:22347721

Assimilation of temperature and salinity profile data in the Norwegian Climate Prediction Model

NASA Astrophysics Data System (ADS)

Wang, Yiguo; Counillon, Francois; Bertino, Laurent; Bethke, Ingo; Keenlyside, Noel

2016-04-01

Assimilating temperature and salinity profile data is promising to constrain the ocean component of Earth system models for the purpose of seasonal-to-dedacal climate predictions. However, assimilating temperature and salinity profiles that are measured in standard depth coordinate (z-coordinate) into isopycnic coordinate ocean models that are discretised by water densities is challenging. Prior studies (Thacker and Esenkov, 2002; Xie and Zhu, 2010) suggested that converting observations to the model coordinate (i.e. innovations in isopycnic coordinate) performs better than interpolating model state to observation coordinate (i.e. innovations in z-coordinate). This problem is revisited here with the Norwegian Climate Prediction Model, which applies the ensemble Kalman filter (EnKF) into the ocean isopycnic model (MICOM) of the Norwegian Earth System Model. We perform Observing System Simulation Experiments (OSSEs) to compare two schemes (the EnKF-z and EnKF-ρ). In OSSEs, the truth is set to the EN4 objective analyses and observations are perturbations of the truth with white noises. Unlike in previous studies, it is found that EnKF-z outperforms EnKF-ρ for different observed vertical resolution, inhomogeneous sampling (e.g. upper 1000 meter observations only), or lack of salinity measurements. That is mostly because the operator converting observations into isopycnic coordinate is strongly non-linear. We also study the horizontal localisation radius at certain arbitrary grid points. Finally, we perform the EnKF-z with the chosen localisation radius in a realistic framework with NorCPM over a 5-year analysis period. The analysis is validated by different independent datasets.

XRD and mineralogical analysis of gypsum dunes at White Sands National Monument, New Mexico and applications to gypsum detection on Mars

NASA Astrophysics Data System (ADS)

Lafuente, B.; Bishop, J. L.; Fenton, L. K.; King, S. J.; Blake, D.; Sarrazin, P.; Downs, R.; Horgan, B. H.

2013-12-01

A field portable X-ray Diffraction (XRD) instrument was used at White Sands National Monument to perform in-situ measurements followed by laboratory analyses of the gypsum-rich dunes and to determine its modal mineralogy. The field instrument is a Terra XRD (Olympus NDT) based on the technology of the CheMin (Chemistry and Mineralogy) instrument onboard the Mars Science Laboratory (MSL) rover Curiosity which is providing the mineralogical and chemical composition of scooped soil samples and drilled rock powders collected at Gale Crater [1]. Using Terra at White Sands will contribute to 'ground truth' for gypsum-bearing environments on Mars. Together with data provided by VNIR spectra [2], this study clarifies our understanding of the origin and history of gypsum-rich sand dunes discovered near the northern polar region of Mars [3]. The results obtained from the field analyses performed by XRD and VNIR spectroscopy in four dunes at White Sands revealed the presence of quartz and dolomite. Their relative abundance has been estimated using the Reference Intensity Ratio (RIR) method. For this study, particulate samples of pure natural gypsum, quartz and dolomite were used to prepare calibration mixtures of gypsum-quartz and gypsum-dolomite with the 90-150μm size fractions. All single phases and mixtures were analyzed by XRD and RIR factors were calculated. Using this method, the relative abundance of quartz and dolomite has been estimated from the data collected in the field. Quartz appears to be present in low amounts (2-5 wt.%) while dolomite is present at percentages up to 80 wt.%. Samples from four dunes were collected and prepared for subsequent XRD analysis in the lab to estimate their composition and illustrate the changes in mineralogy with respect to location and grain size. Gypsum-dolomite mixtures: The dolomite XRD pattern is dominated by an intense diffraction peak at 2θ≈36 deg. which overlaps a peak of gypsum, This makes low concentrations of dolomite

ADPROCLUS: a graphical user interface for fitting additive profile clustering models to object by variable data matrices.

PubMed

Wilderjans, Tom F; Ceulemans, Eva; Van Mechelen, Iven; Depril, Dirk

2011-03-01

In many areas of psychology, one is interested in disclosing the underlying structural mechanisms that generated an object by variable data set. Often, based on theoretical or empirical arguments, it may be expected that these underlying mechanisms imply that the objects are grouped into clusters that are allowed to overlap (i.e., an object may belong to more than one cluster). In such cases, analyzing the data with Mirkin's additive profile clustering model may be appropriate. In this model: (1) each object may belong to no, one or several clusters, (2) there is a specific variable profile associated with each cluster, and (3) the scores of the objects on the variables can be reconstructed by adding the cluster-specific variable profiles of the clusters the object in question belongs to. Until now, however, no software program has been publicly available to perform an additive profile clustering analysis. For this purpose, in this article, the ADPROCLUS program, steered by a graphical user interface, is presented. We further illustrate its use by means of the analysis of a patient by symptom data matrix.

Effect of practical training on the learning motivation profile of Japanese pharmacy students using structural equation modeling.

PubMed

Yamamura, Shigeo; Takehira, Rieko

2017-01-01

To establish a model of Japanese pharmacy students' learning motivation profile and investigate the effects of pharmaceutical practical training programs on their learning motivation. The Science Motivation Questionnaire II was administered to pharmacy students in their 4th (before practical training), 5th (before practical training at clinical sites), and 6th (after all practical training) years of study at Josai International University in April, 2016. Factor analysis and multiple-group structural equation modeling were conducted for data analysis. A total of 165 students participated. The learning motivation profile was modeled with 4 factors (intrinsic, career, self-determination, and grade motivation), and the most effective learning motivation was grade motivation. In the multiple-group analysis, the fit of the model with the data was acceptable, and the estimated mean value of the factor of 'self-determination' in the learning motivation profile increased after the practical training programs (P= 0.048, Cohen's d = 0.43). Practical training programs in a 6-year course were effective for increasing learning motivation, based on 'self-determination' among Japanese pharmacy students. The results suggest that practical training programs are meaningful not only for providing clinical experience but also for raising learning motivation.

Assimilation of Remotely Sensed Soil Moisture Profiles into a Crop Modeling Framework for Reliable Yield Estimations

NASA Astrophysics Data System (ADS)

Mishra, V.; Cruise, J.; Mecikalski, J. R.

2017-12-01

Much effort has been expended recently on the assimilation of remotely sensed soil moisture into operational land surface models (LSM). These efforts have normally been focused on the use of data derived from the microwave bands and results have often shown that improvements to model simulations have been limited due to the fact that microwave signals only penetrate the top 2-5 cm of the soil surface. It is possible that model simulations could be further improved through the introduction of geostationary satellite thermal infrared (TIR) based root zone soil moisture in addition to the microwave deduced surface estimates. In this study, root zone soil moisture estimates from the TIR based Atmospheric Land Exchange Inverse (ALEXI) model were merged with NASA Soil Moisture Active Passive (SMAP) based surface estimates through the application of informational entropy. Entropy can be used to characterize the movement of moisture within the vadose zone and accounts for both advection and diffusion processes. The Principle of Maximum Entropy (POME) can be used to derive complete soil moisture profiles and, fortuitously, only requires a surface boundary condition as well as the overall mean moisture content of the soil column. A lower boundary can be considered a soil parameter or obtained from the LSM itself. In this study, SMAP provided the surface boundary while ALEXI supplied the mean and the entropy integral was used to tie the two together and produce the vertical profile. However, prior to the merging, the coarse resolution (9 km) SMAP data were downscaled to the finer resolution (4.7 km) ALEXI grid. The disaggregation scheme followed the Soil Evaporative Efficiency approach and again, all necessary inputs were available from the TIR model. The profiles were then assimilated into a standard agricultural crop model (Decision Support System for Agrotechnology, DSSAT) via the ensemble Kalman Filter. The study was conducted over the Southeastern United States for the

Characterization using XRD of puzzolanic materials from residual sludge from water treatment

NASA Astrophysics Data System (ADS)

Barón, G.; Montaño, A. M.; González, C. P.

2017-12-01

The goal of this work is to do mechanical and chemical characterization of puzzolanic materials using compressive strength measurements and X-Ray Diffraction (XRD). These materials are composed of red clay and aluminous sludge produced by the treatment of potable water at Planta Algodonal, Ocaña, Norte de Santander, Colombia. Ceramic bricks were sintered to 1100°C and ten were characterized in their physically, mechanically and chemically properties. The results showed that the relationships with which the Colombian standards according to NTC 4017 (100KGF/cm2) for non-structural bricks are maintained for those containing 10% (105Kgf/cm2) and 20% (102.9Kgf/cm2) of sludge with respect to clay.

Modeling of the endosperm crush response profile of hard red spring wheat using a single kernel characterization system

USDA-ARS?s Scientific Manuscript database

When a wheat endosperm is crushed the force profile shows viscoelastic response and the modulus of elasticity is an important parameter that might have substantial influence on wheat milling. An experiment was performed to model endosperm crush response profile (ECRP) and to determine the modulus o...

Tractable flux-driven temperature, density, and rotation profile evolution with the quasilinear gyrokinetic transport model QuaLiKiz

NASA Astrophysics Data System (ADS)

Citrin, J.; Bourdelle, C.; Casson, F. J.; Angioni, C.; Bonanomi, N.; Camenen, Y.; Garbet, X.; Garzotti, L.; Görler, T.; Gürcan, O.; Koechl, F.; Imbeaux, F.; Linder, O.; van de Plassche, K.; Strand, P.; Szepesi, G.; Contributors, JET

2017-12-01

Quasilinear turbulent transport models are a successful tool for prediction of core tokamak plasma profiles in many regimes. Their success hinges on the reproduction of local nonlinear gyrokinetic fluxes. We focus on significant progress in the quasilinear gyrokinetic transport model QuaLiKiz (Bourdelle et al 2016 Plasma Phys. Control. Fusion 58 014036), which employs an approximated solution of the mode structures to significantly speed up computation time compared to full linear gyrokinetic solvers. Optimisation of the dispersion relation solution algorithm within integrated modelling applications leads to flux calculations × {10}6-7 faster than local nonlinear simulations. This allows tractable simulation of flux-driven dynamic profile evolution including all transport channels: ion and electron heat, main particles, impurities, and momentum. Furthermore, QuaLiKiz now includes the impact of rotation and temperature anisotropy induced poloidal asymmetry on heavy impurity transport, important for W-transport applications. Application within the JETTO integrated modelling code results in 1 s of JET plasma simulation within 10 h using 10 CPUs. Simultaneous predictions of core density, temperature, and toroidal rotation profiles for both JET hybrid and baseline experiments are presented, covering both ion and electron turbulence scales. The simulations are successfully compared to measured profiles, with agreement mostly in the 5%-25% range according to standard figures of merit. QuaLiKiz is now open source and available at www.qualikiz.com.

FTIR, XRD and DSC studies of nanochitosan, cellulose acetate and polyethylene glycol blend ultrafiltration membranes.

PubMed

Vinodhini, P Angelin; K, Sangeetha; Thandapani, Gomathi; P N, Sudha; Jayachandran, Venkatesan; Sukumaran, Anil

2017-11-01

In the present work, a series of novel nanochitosan/cellulose acetate/polyethylene glycol (NCS/CA/PEG) blend flat sheet membranes were fabricated in different ratios (1:1:1, 1:1:2, 2:1:1, 2:1:2, 1:2:1, 2:2:1) in a polar solvent of N,N'-dimethylformamide (DMF) using the most popular phase inversion method. Nanochitosan was prepared by the ionotropic gelation method and its average particle size has been analyzed using Dynamic Light Scattering (DLS) method. The effect of blending of the three polymers was investigated using FTIR and XRD studies. FTIR results confirmed the formation of well-blended membranes and the XRD analysis revealed enhanced amorphous nature of the membrane ratio 2:1:2. DSC study was conducted to find out the thermal behavior of the blend membranes and the results clearly indicated good thermal stability and single glass transition temperature (T g ) of all the prepared membranes. Asymmetric nature and rough surface morphology was confirmed using SEM analysis. From the results it was evident that the blending of the polymers with higher concentration of nanochitosan can alter the nature of the resulting membranes to a greater extent and thus amorphous membranes were obtained with good miscibility and compatibility. Copyright © 2017 Elsevier B.V. All rights reserved.

Raman Lidar Profiling of Aerosols Over the Central US; Diurnal Variability and Comparisons with the GOCART Model

NASA Technical Reports Server (NTRS)

Ferrare, R. A.; Chin, M.; Clayton, M.; Turner, D.

2002-01-01

We use profiles of aerosol extinction, water vapor mixing ratio, and relative humidity measured by the ARM SGP Raman lidar in northern Oklahoma to show how the vertical distributions of aerosol extinction and water vapor vary throughout the diurnal cycle. While significant (20-30%) variations in aerosol extinction occurred near the surface as well as aloft, smaller (approximately 10%) variations were observed in the diurnal variability of aerosol optical thickness (AOT). The diurnal variations in aerosol extinction profiles are well correlated with corresponding variations in the average relative humidity profiles. The water vapor mixing ratio profiles and integrated water vapor amounts generally show less diurnal variability. The Raman lidar profiles are also used to evaluate the aerosol optical thickness and aerosol extinction profiles simulated by the GOCART global aerosol model. Initial comparisons show that the AOT simulated by GOCART was in closer agreement with the AOT derived from the Raman lidar and Sun photometer measurements during November 2000 than during September 2000. For both months, the vertical variability in average aerosol extinction profiles simulated by GOCART is less than the variability in the corresponding Raman lidar profiles.

Use of an Ultrasonic/Sonic Driller/Corer to Obtain Sample Powder for CHEMIN, a Combined XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Chipera, S. J.; Bish, D. L.; Vaniman, D. T.; Sherrit, S.; Bar-Cohen, Y.; Sarrazin, P.; Blake, D. F.

2003-01-01

A miniature CHEMIN XRD/XRF (X-Ray Diffraction/X-Ray Fluourescence) instrument is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed in order to enable XRD analysis on an extraterrestrial body is how best to obtain a representative sample powder for analysis. For XRD powder diffraction analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a 2-dimensional detector as used in the CHEMIN instrument will produce good results with poorly prepared powders, the quality of the data will improve if the sample is fine-grained and randomly oriented. An Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL is an effective mechanism of sampling rock to produce cores and powdered cuttings. It requires low axial load (< 5N) and thus offers significant advantages for operation from lightweight platforms and in low gravity environments. The USDC is lightweight (<0.5kg), and can be driven at low power (<5W) using duty cycling. It consists of an actuator with a piezoelectric stack, ultrasonic horn, free-mass, and drill bit. The stack is driven with a 20 kHz AC voltage at resonance. The strain generated by the piezoelectric is amplified by the horn by a factor of up to 10 times the displacement amplitude. The tip impacts the free-mass and drives it into the drill bit in a hammering action. The free-mass rebounds to interact with the horn tip leading to a cyclic rebound at frequencies in the range of 60-1000 Hz. It does not require lubricants, drilling fluid or bit sharpening and it has the potential to operate at high and low temperatures using a suitable choice of piezoelectric material. To assess whether the powder from an ultrasonic drill would be adequate for analyses by an XRD/XRF spectrometer such as CHEMIN, powders obtained from the JPL

Modeling pedestrian crossing speed profiles considering speed change behavior for the safety assessment of signalized intersections.

PubMed

Iryo-Asano, Miho; Alhajyaseen, Wael K M

2017-11-01

Pedestrian safety is one of the most challenging issues in road networks. Understanding how pedestrians maneuver across an intersection is the key to applying countermeasures against traffic crashes. It is known that the behaviors of pedestrians at signalized crosswalks are significantly different from those in ordinary walking spaces, and they are highly influenced by signal indication, potential conflicts with vehicles, and intersection geometries. One of the most important characteristics of pedestrian behavior at crosswalks is the possible sudden speed change while crossing. Such sudden behavioral change may not be expected by conflicting vehicles, which may lead to hazardous situations. This study aims to quantitatively model the sudden speed changes of pedestrians as they cross signalized crosswalks under uncongested conditions. Pedestrian speed profiles are collected from empirical data and speed change events are extracted assuming that the speed profiles are stepwise functions. The occurrence of speed change events is described by a discrete choice model as a function of the necessary walking speed to complete crossing before the red interval ends, current speed, and the presence of turning vehicles in the conflict area. The amount of speed change before and after the event is modeled using regression analysis. A Monte Carlo simulation is applied for the entire speed profile of the pedestrians. The results show that the model can represent the pedestrian travel time distribution more accurately than the constant speed model. Copyright © 2017 Elsevier Ltd. All rights reserved.

MicroRNA Profiling Reveals Marker of Motor Neuron Disease in ALS Models.

PubMed

Hoye, Mariah L; Koval, Erica D; Wegener, Amy J; Hyman, Theodore S; Yang, Chengran; O'Brien, David R; Miller, Rebecca L; Cole, Tracy; Schoch, Kathleen M; Shen, Tao; Kunikata, Tomonori; Richard, Jean-Philippe; Gutmann, David H; Maragakis, Nicholas J; Kordasiewicz, Holly B; Dougherty, Joseph D; Miller, Timothy M

2017-05-31

Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disorder marked by the loss of motor neurons (MNs) in the brain and spinal cord, leading to fatally debilitating weakness. Because this disease predominantly affects MNs, we aimed to characterize the distinct expression profile of that cell type to elucidate underlying disease mechanisms and to identify novel targets that inform on MN health during ALS disease time course. microRNAs (miRNAs) are short, noncoding RNAs that can shape the expression profile of a cell and thus often exhibit cell-type-enriched expression. To determine MN-enriched miRNA expression, we used Cre recombinase-dependent miRNA tagging and affinity purification in mice. By defining the in vivo miRNA expression of MNs, all neurons, astrocytes, and microglia, we then focused on MN-enriched miRNAs via a comparative analysis and found that they may functionally distinguish MNs postnatally from other spinal neurons. Characterizing the levels of the MN-enriched miRNAs in CSF harvested from ALS models of MN disease demonstrated that one miRNA (miR-218) tracked with MN loss and was responsive to an ALS therapy in rodent models. Therefore, we have used cellular expression profiling tools to define the distinct miRNA expression of MNs, which is likely to enrich future studies of MN disease. This approach enabled the development of a novel, drug-responsive marker of MN disease in ALS rodents. SIGNIFICANCE STATEMENT Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease in which motor neurons (MNs) in the brain and spinal cord are selectively lost. To develop tools to aid in our understanding of the distinct expression profiles of MNs and, ultimately, to monitor MN disease progression, we identified small regulatory microRNAs (miRNAs) that were highly enriched or exclusive in MNs. The signal for one of these MN-enriched miRNAs is detectable in spinal tap biofluid from an ALS rat model, where its levels change as disease

Should nutrient profile models be 'category specific' or 'across-the-board'? A comparison of the two systems using diets of British adults.

PubMed

Scarborough, P; Arambepola, C; Kaur, A; Bhatnagar, P; Rayner, M

2010-06-01

Nutrient profile models have the potential to help promote healthier diets. Some models treat all foods equally (across-the-board), some consider different categories of foods separately (category specific). This paper assesses whether across-the-board or category-specific nutrient profile models are more appropriate tools for improving diets. Adult respondents to a British dietary survey were split into four groups using a diet quality index. Fifteen food categories were identified. A nutrient profile model provided a measure of the healthiness of all foods consumed. The four diet quality groups were compared for differences in (a) the calories consumed from each food category and (b) the healthiness of foods consumed in each category. Evidence of healthier diet quality groups consuming more of healthy food categories than unhealthy diet quality groups supported the adoption of across-the-board nutrient profile models. Evidence of healthier diet quality groups consuming healthier versions of foods within food categories supported adoption of category-specific nutrient profile models. A significantly greater percentage of the healthiest diet quality group's diet consisted of fruit and vegetables (21 vs 16%), fish (3 vs 2%) and breakfast cereals (7 vs 2%), and significantly less meat and meat products (7 vs 14%) than the least healthy diet quality group. The foods from the meat, dairy and cereals categories consumed by the healthy diet quality groups were healthier versions than those consumed by the unhealthy diet quality groups. All other things being equal, nutrient profile models designed to promote an achievable healthy diet should be category specific but with a limited number of categories. However models which use a large number of categories are unhelpful for promoting a healthy diet.

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

PubMed

Thibault, Christelle; Hassan, Sajida; Miles, Michael

2005-03-01

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

The inconsistency in adsorption properties and powder XRD data of MOF-5 is rationalized by framework interpenetration and the presence of organic and inorganic species in the nanocavities.

PubMed

Hafizovic, Jasmina; Bjørgen, Morten; Olsbye, Unni; Dietzel, Pascal D C; Bordiga, Silvia; Prestipino, Carmelo; Lamberti, Carlo; Lillerud, Karl Petter

2007-03-28

MOF-5 is the archetype metal-organic framework and has been subjected to numerous studies the past few years. The focal point of this report is the pitfalls related to the MOF-5 phase identification based on powder XRD data. A broad set of conditions and procedures have been reported for MOF-5 synthesis. These variations have led to materials with substantially different adsorption properties (specific surface areas in the range 700 to 3400 m(2)/g). The relatively low weight loss observed for some as synthesized samples upon solvent removal is also indicative of a low pore volume. Regrettably, these materials have all been described as MOF-5 without any further comments. Furthermore, the reported powder XRD patterns hint at structural differences: The variations in surface area are accompanied by peak splitting phenomena and rather pronounced changes in the relative peak intensities in the powder XRD patterns. In this work, we use single-crystal XRD to investigate structural differences between low and high surface area MOF-5. The low surface area MOF-5 sample had two different classes of crystals. For the dominant phase, Zn(OH)2 species partly occupied the cavities. The presence of Zn species makes the hosting cavity and possibly also adjacent cavities inaccessible and thus efficiently reduces the pore volume of the material. Furthermore, the minor phase consisted of doubly interpenetrated MOF-5 networks, which lowers the adsorption capacity. The presence of Zn species and lattice interpenetration changes the symmetry from cubic to trigonal and explains the peak splitting observed in the powder XRD patterns. Pore-filling effects from the Zn species (and partly the solvent molecules) are also responsible for the pronounced variations in powder XRD peak intensities. This latter conclusion is particularly useful for predicting the adsorption properties of a MOF-5-type material from powder XRD.

Modeling the effect of lithium-induced pedestal profiles on scrape-off-layer turbulence and the heat flux width

DOE PAGES

Russell, David A.; D'Ippolito, Daniel A.; Myra, James R.; ...

2015-09-01

The effect of lithium (Li) wall coatings on scrape-off-layer (SOL) turbulence in the National Spherical Torus Experiment (NSTX) is modeled with the Lodestar SOLT (“SOL Turbulence”) code. Specifically, the implications for the SOL heat flux width of experimentally observed, Li-induced changes in the pedestal profiles are considered. The SOLT code used in the modeling has been expanded recently to include ion temperature evolution and ion diamagnetic drift effects. This work focuses on two NSTX discharges occurring pre- and with-Li deposition. The simulation density and temperature profiles are constrained, inside the last closed flux surface only, to match those measured inmore » the two experiments, and the resulting drift-interchange-driven turbulence is explored. The effect of Li enters the simulation only through the pedestal profile constraint: Li modifies the experimental density and temperature profiles in the pedestal, and these profiles affect the simulated SOL turbulence. The power entering the SOL measured in the experiments is matched in the simulations by adjusting “free” dissipation parameters (e.g., diffusion coefficients) that are not measured directly in the experiments. With power-matching, (a) the heat flux SOL width is smaller, as observed experimentally by infra-red thermography, and (b) the simulated density fluctuation amplitudes are reduced with Li, as inferred for the experiments as well from reflectometry analysis. The instabilities and saturation mechanisms that underlie the SOLT model equilibria are also discussed.« less

Diffusion of Super-Gaussian Profiles

ERIC Educational Resources Information Center

Rosenberg, C.-J.; Anderson, D.; Desaix, M.; Johannisson, P.; Lisak, M.

2007-01-01

The present analysis describes an analytically simple and systematic approximation procedure for modelling the free diffusive spreading of initially super-Gaussian profiles. The approach is based on a self-similar ansatz for the evolution of the diffusion profile, and the parameter functions involved in the modelling are determined by suitable…

Performance Assessment of Model-Based Optimal Feedforward and Feedback Current Profile Control in NSTX-U using the TRANSP Code

NASA Astrophysics Data System (ADS)

Ilhan, Z.; Wehner, W. P.; Schuster, E.; Boyer, M. D.; Gates, D. A.; Gerhardt, S.; Menard, J.

2015-11-01

Active control of the toroidal current density profile is crucial to achieve and maintain high-performance, MHD-stable plasma operation in NSTX-U. A first-principles-driven, control-oriented model describing the temporal evolution of the current profile has been proposed earlier by combining the magnetic diffusion equation with empirical correlations obtained at NSTX-U for the electron density, electron temperature, and non-inductive current drives. A feedforward + feedback control scheme for the requlation of the current profile is constructed by embedding the proposed nonlinear, physics-based model into the control design process. Firstly, nonlinear optimization techniques are used to design feedforward actuator trajectories that steer the plasma to a desired operating state with the objective of supporting the traditional trial-and-error experimental process of advanced scenario planning. Secondly, a feedback control algorithm to track a desired current profile evolution is developed with the goal of adding robustness to the overall control scheme. The effectiveness of the combined feedforward + feedback control algorithm for current profile regulation is tested in predictive simulations carried out in TRANSP. Supported by PPPL.

XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.

PubMed

Mohanraj, J; Capria, E; Benevoli, L; Perucchi, A; Demitri, N; Fraleoni-Morgera, A

2018-01-17

The anisotropic thermal expansion properties of an organic semiconducting single crystal constituted by 4-hydroxycyanobenzene (4HCB) have been probed by XRD in the range 120-300 K. The anisotropic thermal expansion coefficients for the three crystallographic axes and for the crystal volume have been determined. A careful analysis of the crystal structure revealed that the two different H-bonds stemming from the two independent, differently oriented 4HCB molecules composing the unit cell have different rearrangement patterns upon temperature variations, in terms of both bond length and bond angle. Linearly Polarized Mid InfraRed (LP-MIR) measurements carried out in the same temperature range, focused on the O-H bond spectral region, confirm this finding. The same LP-MIR measurements, on the basis of a semi-empirical relation and of geometrical considerations and assumptions, allowed calculation of the -CNH-O- hydrogen bond length along the a and b axes of the crystal. In turn, the so-calculated -CNH-O- bond lengths were used to derive the thermal expansion coefficients along the corresponding crystal axes, as well as the volumetric one, using just the LP-MIR data. Reasonable to good agreement with the same values obtained from XRD measurements was obtained. This proof-of-principle opens interesting perspectives about the possible development of a rapid, low cost and industry-friendly assessment of the thermal expansion properties of organic semiconducting single crystals (OSSCs) involving hydrogen bonds.

The {sech}( {\\hat{ξ }} ) -Type Profiles: A Swiss-Army Knife for Exact Analytical Modeling of Thermal Diffusion and Wave Propagation in Graded Media

NASA Astrophysics Data System (ADS)

Krapez, J.-C.

2018-07-01

This work deals with the exact analytical modeling of transfer phenomena in heterogeneous materials exhibiting one-dimensional continuous variations of their properties. Regarding heat transfer, it has recently been shown that by applying a Liouville transformation and multiple Darboux transformations, infinite sequences of solvable profiles of thermal effusivity can be constructed together with the associated temperature (exact) solutions, all in closed-form expressions (vs. the diffusion-time variable and with a growing number of parameters). In addition, a particular class of profiles, the so-called {sech}( {\\hat{ξ }} ) -type profiles, exhibit high agility and at the same time parsimony. In this paper we delve further into the description of these solvable profiles and their properties. Most importantly, their quadrupole formulation is provided, enabling smooth synthetic profiles of effusivity of arbitrary complexity to be built, and allowing the corresponding temperature dynamic response to be obtained very easily thereafter. Examples are given with increasing variability of the effusivity and an increasing number of elementary profiles. These highly flexible profiles are equally relevant to providing an exact analytical solution to wave propagation problems in 1D graded media (i.e., Maxwell's equations, the acoustic equation, the telegraph equation, etc.). From now on, whether it be for diffusion-like or wave-like problems, when the leading properties present (possibly piecewise-) continuously heterogeneous profiles, the classical staircase model can be advantageously replaced by a "high-level" quadrupole model consisting of one or more {sech}( {\\hat{ξ }} ) -type profiles, which makes the latter a true Swiss-Army knife for analytical modeling.

Effect of practical training on the learning motivation profile of Japanese pharmacy students using structural equation modeling

PubMed Central

2017-01-01

Purpose To establish a model of Japanese pharmacy students’ learning motivation profile and investigate the effects of pharmaceutical practical training programs on their learning motivation. Methods The Science Motivation Questionnaire II was administered to pharmacy students in their 4th (before practical training), 5th (before practical training at clinical sites), and 6th (after all practical training) years of study at Josai International University in April, 2016. Factor analysis and multiple-group structural equation modeling were conducted for data analysis. Results A total of 165 students participated. The learning motivation profile was modeled with 4 factors (intrinsic, career, self-determination, and grade motivation), and the most effective learning motivation was grade motivation. In the multiple-group analysis, the fit of the model with the data was acceptable, and the estimated mean value of the factor of ‘self-determination’ in the learning motivation profile increased after the practical training programs (P= 0.048, Cohen’s d= 0.43). Conclusion Practical training programs in a 6-year course were effective for increasing learning motivation, based on ‘self-determination’ among Japanese pharmacy students. The results suggest that practical training programs are meaningful not only for providing clinical experience but also for raising learning motivation. PMID:28167812

Driving profile modeling and recognition based on soft computing approach.

PubMed

Wahab, Abdul; Quek, Chai; Tan, Chin Keong; Takeda, Kazuya

2009-04-01

Advancements in biometrics-based authentication have led to its increasing prominence and are being incorporated into everyday tasks. Existing vehicle security systems rely only on alarms or smart card as forms of protection. A biometric driver recognition system utilizing driving behaviors is a highly novel and personalized approach and could be incorporated into existing vehicle security system to form a multimodal identification system and offer a greater degree of multilevel protection. In this paper, detailed studies have been conducted to model individual driving behavior in order to identify features that may be efficiently and effectively used to profile each driver. Feature extraction techniques based on Gaussian mixture models (GMMs) are proposed and implemented. Features extracted from the accelerator and brake pedal pressure were then used as inputs to a fuzzy neural network (FNN) system to ascertain the identity of the driver. Two fuzzy neural networks, namely, the evolving fuzzy neural network (EFuNN) and the adaptive network-based fuzzy inference system (ANFIS), are used to demonstrate the viability of the two proposed feature extraction techniques. The performances were compared against an artificial neural network (NN) implementation using the multilayer perceptron (MLP) network and a statistical method based on the GMM. Extensive testing was conducted and the results show great potential in the use of the FNN for real-time driver identification and verification. In addition, the profiling of driver behaviors has numerous other potential applications for use by law enforcement and companies dealing with buses and truck drivers.

Shifts of radiocesium vertical profiles in sediments and their modelling in Japanese lakes.

PubMed

Fukushima, Takehiko; Komatsu, Eiji; Arai, Hiroyuki; Kamiya, Koichi; Onda, Yuichi

2018-02-15

Vertical profiles of radiocesium concentrations were measured in sediment cores collected at various times after the 2011 Fukushima nuclear accident in five Japanese lakes (Hinuma, Kasumigaura, Kitaura, Onogawa and Sohara) with different morphological and trophic characteristics in order to investigate the sedimentation-diffusion processes. In lakes where sediments had high porosities and experienced considerable wave action due to shallowness, we observed rapid penetration of radiocesium to a certain depth just after the accident, followed by downward movement of the peak depths. In contrast, gradual downward transfers of distinct peaks were found in other types of lakes. A one-dimensional differential sediment model with water-sediments interaction processes was constructed to describe the vertical shift of radiocesium profiles. Our proposed submodels relating to the length scales of the mixing using wind-induced stress and porosity of sediments were constructed based on one measurement of the vertical distribution of radiocesium in three lakes (Hinuma, Kasumigaura and Sohara). This model was then validated using samples from those lakes in different years, as well as from two other lakes. Good agreement was obtained. We discuss our findings, the limits of model application, and future research targets. Copyright © 2017 Elsevier B.V. All rights reserved.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO4:Dy TL material

NASA Astrophysics Data System (ADS)

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Hamid, Muhammad Azmi Abdul; Dollah, Mohd Taufik

2014-09-01

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO4) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO4 with average crystallite size of 74 nm with orthorhombic crystal system. The TL behavior of produced CaSO4:Dy was studied using a TLD reader after exposure to gamma ray by Co60 source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.

Some critical aspects of FT-IR, TGA, powder XRD, EDAX and SEM studies of calcium oxalate urinary calculi.

PubMed

Joshi, Vimal S; Vasant, Sonal R; Bhatt, J G; Joshi, Mihir J

2014-06-01

Urinary calculi constitute one of the oldest afflictions of humans as well as animals, which are occurring globally. The calculi vary in shape, size and composition, which influence their clinical course. They are usually of the mixed-type with varying percentages of the ingredients. In medical management of urinary calculi, either the nature of calculi is to be known or the exact composition of calculi is required. In the present study, two selected calculi were recovered after surgery from two different patients for detailed examination and investigated by using Fourier-Transform infrared spectroscopy (FT-IR), thermo-gravimetric analysis (TGA), powder X-ray diffraction (XRD), scanning electron microscopy and energy dispersive analysis of X-rays (EDAX) techniques. The study demonstrated that the nature of urinary calculi and presence of major phase in mixed calculi could be identified by FT-IR, TGA and powder XRD, however, the exact content of various elements could be found by EDAX only.

Effects of uniformities of deposition of respirable particles on filters on determining their quartz contents by using the direct on-filter X-ray diffraction (DOF XRD) method.

PubMed

Chen, Ching-Hwa; Tsaia, Perng-Jy; Lai, Chane-Yu; Peng, Ya-Lian; Soo, Jhy-Charm; Chen, Cheng-Yao; Shih, Tung-Sheng

2010-04-15

In this study, field samplings were conducted in three workplaces of a foundry plant, including the molding, demolding, and bead blasting, respectively. Three respirable aerosol samplers (including a 25-mm aluminum cyclone, nylon cyclone, and IOSH cyclone) were used side-by-side to collect samples from each selected workplace. For each collected sample, the uniformity of the deposition of respirable dusts on the filter was measured and its free silica content was determined by both the DOF XRD method and NIOSH 7500 XRD method (i.e., the reference method). A same trend in measured uniformities can be found in all selected workplaces: 25-mm aluminum cyclone>nylon cyclone>IOSH cyclone. Even for samples collected by the sampler with the highest uniformity (i.e., 25-mm aluminum cyclone), the use of the DOF XRD method would lead to the measured free silica concentrations 1.15-2.89 times in magnitude higher than that of the reference method. A new filter holder should be developed with the minimum uniformity comparable to that of NIOSH 7500 XRD method (=0.78) in the future. The use of conversion factors for correcting quartz concentrations obtained from the DOF XRD method based on the measured uniformities could be suitable for the foundry industry at this stage. 2009 Elsevier B.V. All rights reserved.

XRD monitoring of α self-irradiation in uranium-americium mixed oxides.

PubMed

Horlait, Denis; Lebreton, Florent; Roussel, Pascal; Delahaye, Thibaud

2013-12-16

The structural evolution under (241)Am self-irradiation of U(1-x)Am(x)O(2±δ) transmutation fuels (with x ≤ 0.5) was studied by X-ray diffraction (XRD). Samples first underwent a preliminary heat treatment performed under a reducing atmosphere (Ar/H2(4%)) aiming to recover the previously accumulated structural defects. Over all measurements (carried out over up to a full year and for integrated doses up to 1.5 × 10(18) α-decay events·g(-1)), only fluorite U(1-x)Am(x)O(2±δ) solid solutions were observed. Within a few days after the end of the heat treatment, each of the five studied samples was slowly oxidized as a consequence of their move to air atmosphere, which is evidenced by XRD by an initial sharp decrease of the unit cell parameter. For the compounds with x ≤ 0.15, this oxidation occurred without any phase transitions, but for U0.6Am0.4O(2±δ) and U0.5Am0.5O(2±δ), this process is accompanied by a transition from a first fluorite solid solution to a second oxidized one, as the latter is thermodynamically stable in ambient conditions. In the meantime and after the oxidation process, (241)Am α self-irradiation caused a structural swelling up to ∼0.8 vol %, independently of the sample composition. The kinetic constants of swelling were also determined by regression of experimental data and are, as expected, dependent on x and thus on the dose rate. The normalization of these kinetic constants by sample α-activity, however, leads to very close swelling rates among the samples. Finally, evolutions of microstrain and crystallite size were also monitored, but for the considered dose rates and cumulated doses, α self-irradiation was found, within the limits of the diffractometer used, to have almost no impact on these characteristics. Microstrain was found to be influenced instead by the americium content in the materials (i.e., by the impurities associated with americium starting material and the increase of cationic charge heterogeneity with

Data from the Mars Science Laboratory CheMin XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Vaniman, David; Blake, David; Bristow, Tom; DesMarais, David; Achilles, Cherie; Anderson, Robert; Crips, Joy; Morookian, John Michael; Spanovich, Nicole; Vasavada, Ashwin;

Mechanism Profiling of Hepatotoxicity Caused by Oxidative Stress Using Antioxidant Response Element Reporter Gene Assay Models and Big Data.

PubMed

Kim, Marlene Thai; Huang, Ruili; Sedykh, Alexander; Wang, Wenyi; Xia, Menghang; Zhu, Hao

2016-05-01

Hepatotoxicity accounts for a substantial number of drugs being withdrawn from the market. Using traditional animal models to detect hepatotoxicity is expensive and time-consuming. Alternative in vitro methods, in particular cell-based high-throughput screening (HTS) studies, have provided the research community with a large amount of data from toxicity assays. Among the various assays used to screen potential toxicants is the antioxidant response element beta lactamase reporter gene assay (ARE-bla), which identifies chemicals that have the potential to induce oxidative stress and was used to test > 10,000 compounds from the Tox21 program. The ARE-bla computational model and HTS data from a big data source (PubChem) were used to profile environmental and pharmaceutical compounds with hepatotoxicity data. Quantitative structure-activity relationship (QSAR) models were developed based on ARE-bla data. The models predicted the potential oxidative stress response for known liver toxicants when no ARE-bla data were available. Liver toxicants were used as probe compounds to search PubChem Bioassay and generate a response profile, which contained thousands of bioassays (> 10 million data points). By ranking the in vitro-in vivo correlations (IVIVCs), the most relevant bioassay(s) related to hepatotoxicity were identified. The liver toxicants profile contained the ARE-bla and relevant PubChem assays. Potential toxicophores for well-known toxicants were created by identifying chemical features that existed only in compounds with high IVIVCs. Profiling chemical IVIVCs created an opportunity to fully explore the source-to-outcome continuum of modern experimental toxicology using cheminformatics approaches and big data sources. Kim MT, Huang R, Sedykh A, Wang W, Xia M, Zhu H. 2016. Mechanism profiling of hepatotoxicity caused by oxidative stress using antioxidant response element reporter gene assay models and big data. Environ Health Perspect 124:634-641;�

Etch Profile Simulation Using Level Set Methods

NASA Technical Reports Server (NTRS)

Hwang, Helen H.; Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

1997-01-01

Etching and deposition of materials are critical steps in semiconductor processing for device manufacturing. Both etching and deposition may have isotropic and anisotropic components, due to directional sputtering and redeposition of materials, for example. Previous attempts at modeling profile evolution have used so-called "string theory" to simulate the moving solid-gas interface between the semiconductor and the plasma. One complication of this method is that extensive de-looping schemes are required at the profile corners. We will present a 2D profile evolution simulation using level set theory to model the surface. (1) By embedding the location of the interface in a field variable, the need for de-looping schemes is eliminated and profile corners are more accurately modeled. This level set profile evolution model will calculate both isotropic and anisotropic etch and deposition rates of a substrate in low pressure (10s mTorr) plasmas, considering the incident ion energy angular distribution functions and neutral fluxes. We will present etching profiles of Si substrates in Ar/Cl2 discharges for various incident ion energies and trench geometries.

Injury Profile SIMulator, a Qualitative Aggregative Modelling Framework to Predict Crop Injury Profile as a Function of Cropping Practices, and the Abiotic and Biotic Environment. I. Conceptual Bases

PubMed Central

Aubertot, Jean-Noël; Robin, Marie-Hélène

2013-01-01

The limitation of damage caused by pests (plant pathogens, weeds, and animal pests) in any agricultural crop requires integrated management strategies. Although significant efforts have been made to i) develop, and to a lesser extent ii) combine genetic, biological, cultural, physical and chemical control methods in Integrated Pest Management (IPM) strategies (vertical integration), there is a need for tools to help manage Injury Profiles (horizontal integration). Farmers design cropping systems according to their goals, knowledge, cognition and perception of socio-economic and technological drivers as well as their physical, biological, and chemical environment. In return, a given cropping system, in a given production situation will exhibit a unique injury profile, defined as a dynamic vector of the main injuries affecting the crop. This simple description of agroecosystems has been used to develop IPSIM (Injury Profile SIMulator), a modelling framework to predict injury profiles as a function of cropping practices, abiotic and biotic environment. Due to the tremendous complexity of agroecosystems, a simple holistic aggregative approach was chosen instead of attempting to couple detailed models. This paper describes the conceptual bases of IPSIM, an aggregative hierarchical framework and a method to help specify IPSIM for a given crop. A companion paper presents a proof of concept of the proposed approach for a single disease of a major crop (eyespot on wheat). In the future, IPSIM could be used as a tool to help design ex-ante IPM strategies at the field scale if coupled with a damage sub-model, and a multicriteria sub-model that assesses the social, environmental, and economic performances of simulated agroecosystems. In addition, IPSIM could also be used to help make diagnoses on commercial fields. It is important to point out that the presented concepts are not crop- or pest-specific and that IPSIM can be used on any crop. PMID:24019908

Injury Profile SIMulator, a qualitative aggregative modelling framework to predict crop injury profile as a function of cropping practices, and the abiotic and biotic environment. I. Conceptual bases.

PubMed

Aubertot, Jean-Noël; Robin, Marie-Hélène

2013-01-01

The limitation of damage caused by pests (plant pathogens, weeds, and animal pests) in any agricultural crop requires integrated management strategies. Although significant efforts have been made to i) develop, and to a lesser extent ii) combine genetic, biological, cultural, physical and chemical control methods in Integrated Pest Management (IPM) strategies (vertical integration), there is a need for tools to help manage Injury Profiles (horizontal integration). Farmers design cropping systems according to their goals, knowledge, cognition and perception of socio-economic and technological drivers as well as their physical, biological, and chemical environment. In return, a given cropping system, in a given production situation will exhibit a unique injury profile, defined as a dynamic vector of the main injuries affecting the crop. This simple description of agroecosystems has been used to develop IPSIM (Injury Profile SIMulator), a modelling framework to predict injury profiles as a function of cropping practices, abiotic and biotic environment. Due to the tremendous complexity of agroecosystems, a simple holistic aggregative approach was chosen instead of attempting to couple detailed models. This paper describes the conceptual bases of IPSIM, an aggregative hierarchical framework and a method to help specify IPSIM for a given crop. A companion paper presents a proof of concept of the proposed approach for a single disease of a major crop (eyespot on wheat). In the future, IPSIM could be used as a tool to help design ex-ante IPM strategies at the field scale if coupled with a damage sub-model, and a multicriteria sub-model that assesses the social, environmental, and economic performances of simulated agroecosystems. In addition, IPSIM could also be used to help make diagnoses on commercial fields. It is important to point out that the presented concepts are not crop- or pest-specific and that IPSIM can be used on any crop.

Morphological, chemical and structural characterisation of deciduous enamel: SEM, EDS, XRD, FTIR and XPS analysis.

PubMed

Zamudio-Ortega, C M; Contreras-Bulnes, R; Scougall-Vilchis, R J; Morales-Luckie, R A; Olea-Mejía, O F; Rodríguez-Vilchis, L E

2014-09-01

The purpose of this study was to characterise the enamel surface of sound deciduous teeth in terms of morphology, chemical composition, structure and crystalline phases. The enamel of 30 human deciduous teeth was examined by: Scanning Electron Microscopy (SEM), Energy Dispersive X-Ray Spectroscopy (EDS), X-ray Powder Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and X-ray Photoelectron Spectroscopy (XPS). Chemical differences between incisors and canines were statistically evaluated using the Mann-Whitney U test (p ≤ 0.05). Three enamel patterns were observed by SEM: 'mostly smooth with some groves', 'abundant microporosities' and 'exposed prisms'. The average Ca/P molar ratios were 1.37 and 1.03 by EDS and XPS, respectively. The crystallite size determined by XRD was 210.82 ± 16.78 Å. The mean ratio between Ca bonded to phosphate and Ca bonded to hydroxyl was approximately 10:1. The enamel of sound deciduous teeth showed two main patterns: 'mostly smooth with some groves' and 'abundant microporosities'. 'Exposed prisms' was a secondary pattern. There were slight variations among the Ca/P molar ratios found by EDS and XPS, suggesting differences in the mineral content from the enamel surface to the interior. The crystalline phases found in enamel were hydroxyapatite and carbonate apatite, with major type B than type A carbonate incorporation.

High temperature XRD of Cu{sub 2}GeSe{sub 3}

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

Premkumar, D. S.; Malar, P.; Chetty, Raju

2015-06-24

The Cu{sub 2}GeSe{sub 3} is prepared by solid state synthesis method. The high temperature XRD has been done at different temperature from 30 °C to 450 °C. The reitveld refinement confirms Cu{sub 2}GeSe{sub 3} phase and orthorhombic crystal structure. The lattice constants are increasing with increase in the temperature and their rate of increase with respect to temperature are used for finding the thermal expansion coefficient. The calculation of the linear and volume coefficient of thermal expansion is done from 30 °C to 400 °C. Decrease in the values of linear expansion coefficients with temperature are observed along a andmore » c axis. Since thermal expansion coefficient is the consequence of the distortion of atoms in the lattice; this can be further used to find the minimum lattice thermal conductivity at given temperature.« less

Assessment of Important SPECIATE Profiles in EPA’s Emissions Modeling Platform and Current Data Gaps

EPA Science Inventory

The US Environmental Protection Agency (EPA)’s SPECIATE database contains speciation profiles for both particulate matter (PM) and volatile organic compounds (VOCs) that are key inputs for creating speciated emission inventories for air quality modeling. The objective of th...

An empirical model for dissolution profile and its application to floating dosage forms.

PubMed

Weiss, Michael; Kriangkrai, Worawut; Sungthongjeen, Srisagul

2014-06-02

A sum of two inverse Gaussian functions is proposed as a highly flexible empirical model for fitting of in vitro dissolution profiles. The model was applied to quantitatively describe theophylline release from effervescent multi-layer coated floating tablets containing different amounts of the anti-tacking agents talc or glyceryl monostearate. Model parameters were estimated by nonlinear regression (mixed-effects modeling). The estimated parameters were used to determine the mean dissolution time, as well as to reconstruct the time course of release rate for each formulation, whereby the fractional release rate can serve as a diagnostic tool for classification of dissolution processes. The approach allows quantification of dissolution behavior and could provide additional insights into the underlying processes. Copyright © 2014 Elsevier B.V. All rights reserved.

Mean-velocity profile of smooth channel flow explained by a cospectral budget model with wall-blockage

DOE PAGES

McColl, Kaighin A.; Katul, Gabriel G.; Gentine, Pierre; ...

2016-03-16

A series of recent studies has shown that a model of the turbulent vertical velocity variance spectrum (F vv) combined with a simplified cospectral budget can reproduce many macroscopic flow properties of turbulent wall-bounded flows, including various features of the mean-velocity profile (MVP), i.e., the "law of the wall". While the approach reasonably models the MVP's logarithmic layer, the buffer layer displays insufficient curvature compared to measurements. The assumptions are re-examined here using a direct numerical simulation (DNS) dataset at moderate Reynolds number that includes all the requisite spectral and co-spectral information. Starting with several hypotheses for the cause ofmore » the "missing" curvature in the buffer layer, it is shown that the curvature deficit is mainly due to mismatches between (i) the modelled and DNS-observed pressure-strain terms in the cospectral budget and (ii) the DNS-observed F vv and the idealized form used in previous models. By replacing the current parameterization for the pressure-strain term with an expansive version that directly accounts for wall-blocking effects, the modelled and DNS reported pressure-strain profiles match each other in the buffer and logarithmic layers. Forcing the new model with DNS-reported F vv rather than the idealized form previously used reproduces the missing buffer layer curvature to high fidelity thereby confirming the "spectral link" between F vv and the MVP across the full profile. A broad implication of this work is that much of the macroscopic properties of the flow (such as the MVP) may be derived from the energy distribution in turbulent eddies (i.e., F vv) representing the microstate of the flow, provided the link between them accounts for wall-blocking.« less

Investigating the quality of modeled aerosol profiles based on combined lidar and sunphotometer data

NASA Astrophysics Data System (ADS)

Siomos, Nikolaos; Balis, Dimitris S.; Poupkou, Anastasia; Liora, Natalia; Dimopoulos, Spyridon; Melas, Dimitris; Giannakaki, Eleni; Filioglou, Maria; Basart, Sara; Chaikovsky, Anatoli

2017-06-01

In this study we present an evaluation of the Comprehensive Air Quality Model with extensions (CAMx) for Thessaloniki using radiometric and lidar data. The aerosol mass concentration profiles of CAMx are compared against the PM2.5 and PM2. 5-10 concentration profiles retrieved by the Lidar-Radiometer Inversion Code (LIRIC). The CAMx model and the LIRIC algorithm results were compared in terms of mean mass concentration profiles, center of mass and integrated mass concentration in the boundary layer and the free troposphere. The mean mass concentration comparison resulted in profiles within the same order of magnitude and similar vertical structure for the PM2. 5 particles. The mean centers of mass values are also close, with a mean bias of 0.57 km. On the opposite side, there are larger differences for the PM2. 5-10 mode, both in the boundary layer and in the free troposphere. In order to grasp the reasons behind the discrepancies, we investigate the effect of aerosol sources that are not properly included in the model's emission inventory and in the boundary conditions such as the wildfires and the desert dust component. The identification of the cases that are affected by wildfires is performed using wind backward trajectories from the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model in conjunction with satellite fire pixel data from MODerate-resolution Imaging Spectroradiometer (MODIS) Terra and Aqua global monthly fire location product MCD14ML. By removing those cases the correlation coefficient improves from 0.69 to 0.87 for the PM2. 5 integrated mass in the boundary layer and from 0.72 to 0.89 in the free troposphere. The PM2.5 center of mass fractional bias also decreases to 0.38 km. Concerning the analysis of the desert dust component, the simulations from the Dust Regional Atmospheric Model (BSC-DREAM8b) were deployed. When only the Saharan dust cases are taken into account, BSC-DREAM8b generally outperforms CAMx when compared with

3D Hydrodynamic & Radiative Transfer Models of HETG Line Profiles from Colliding Winds

NASA Astrophysics Data System (ADS)

Russell, Christopher

2016-09-01

Chandra has invested 2.52 Ms of HETG observations into 4 colliding-wind binary (CWB) systems. WR140 and eta Car are massive-star binaries with long periods that produce X-rays in a 3D, warped shock cone, while delta Ori A and HD150136 are short-period systems that show line profile changes due to embedded-wind-shock emission in the primary wind being partially evacuated by the secondary wind. HETG observations resolve the velocity structure in both types of systems. We propose 3D line-profile radiative-transfer calculations on existing 3D hydrodynamic simulations of these 4 CWBs. This is the first confrontation of these data with this level of modeling, and will provide greater understanding of their stellar, wind, and orbital properties, as well as the underlying CWB shock physics.

Nondestructive strain depth profiling with high energy X-ray diffraction: System capabilities and limitations

NASA Astrophysics Data System (ADS)

Zhang, Zhan; Wendt, Scott; Cosentino, Nicholas; Bond, Leonard J.

2018-04-01

Limited by photon energy, and penetration capability, traditional X-ray diffraction (XRD) strain measurements are only capable of achieving a few microns depth due to the use of copper (Cu Kα1) or molybdenum (Mo Kα1) characteristic radiation. For deeper strain depth profiling, destructive methods are commonly necessary to access layers of interest by removing material. To investigate deeper depth profiles nondestructively, a laboratory bench-top high-energy X-ray diffraction (HEXRD) system was previously developed. This HEXRD method uses an industrial 320 kVp X-Ray tube and the Kα1 characteristic peak of tungsten, to produces a higher intensity X-ray beam which enables depth profiling measurement of lattice strain. An aluminum sample was investigated with deformation/load provided using a bending rig. It was shown that the HEXRD method is capable of strain depth profiling to 2.5 mm. The method was validated using an aluminum sample where both the HEXRD method and the traditional X-ray diffraction method gave data compared with that obtained using destructive etching layer removal, performed by a commercial provider. The results demonstrate comparable accuracy up to 0.8 mm depth. Nevertheless, higher attenuation capabilities in heavier metals limit the applications in other materials. Simulations predict that HEXRD works for steel and nickel in material up to 200 µm, but experiment results indicate that the HEXRD strain profile is not practical for steel and nickel material, and the measured diffraction signals are undetectable when compared to the noise.

Laser one-dimensional range profile and the laser two-dimensional range profile of cylinders

NASA Astrophysics Data System (ADS)

Gong, Yanjun; Wang, Mingjun; Gong, Lei

2015-10-01

Laser one-dimensional range profile, that is scattering power from pulse laser scattering of target, is a radar imaging technology. The laser two-dimensional range profile is two-dimensional scattering imaging of pulse laser of target. Laser one-dimensional range profile and laser two-dimensional range profile are called laser range profile(LRP). The laser range profile can reflect the characteristics of the target shape and surface material. These techniques were motivated by applications of laser radar to target discrimination in ballistic missile defense. The radar equation of pulse laser is given in this paper. This paper demonstrates the analytical model of laser range profile of cylinder based on the radar equation of the pulse laser. Simulations results of laser one-dimensional range profiles of some cylinders are given. Laser range profiles of cylinder, whose surface material with diffuse lambertian reflectance, is given in this paper. Laser range profiles of different pulse width of cylinder are given in this paper. The influences of geometric parameters, pulse width, attitude on the range profiles are analyzed.

Analysis and high resolution modelling of black carbon vertical profiles measured over three Italian valleys

NASA Astrophysics Data System (ADS)

Gandolfi, Ilaria; Curci, Gabriele; Falasca, Serena; Ferrero, Luca

2017-04-01

Analysis and high resolution modelling of black carbon vertical profiles measured over three Italian valleys Ilaria Gandolfi1,2, Gabriele Curci1,2, Serena Falasca1,2, Luca Ferrero3 1 Department of Physical and Chemical Sciences, University of L'Aquila, L'Aquila, Italy 2 Center of Excellence CETEMPS, University of L'Aquila, L'Aquila, Italy 3 POLARIS Research Centre, Department of Earth and Environmental Sciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126, Milan, Italy Last decades were characterized by a growing interest in aerosols: mainly for their effect on human health and on the energy balance of solar and planetary radiation, thus their role in climate change. In this study, we analyze the evolution of vertical profile of black carbon (BC) through tethered balloon observations and chemistry-transport modelling. Black carbon is regarded as the second most important anthropogenic climate forcing agent and its concentration varies significantly depending on the altitude and the sources on the territory. In winter of 2010 University Of Milan Bicocca conducted three intensive measurements campaigns over three Italian basin valleys (Terni, Po Valley, Passiria Valley). The choice of the valleys was made taking into consideration the orography and the river basin structure. The measurement campaign was based on a helium-filled tethered balloon, on which the instrumentation for the analysis has been mounted; the instrumentation consisted on a meteorological station, an OPC, a cascade impactor and a micro-Aethalometer. Subsequently, at University of L'Aquila simulations were produced to help interpretation of these vertical aerosol profiles (mass, composition and distribution) and related optical properties (scattering, absorption) using a chemistry-transport model (WRF-CHIMERE) at high horizontal resolution (1 km). The analysis focused primarily on the calculation of the heating rate and of the Direct Radiative Effect (DRE), and on the analysis of the

Powder XRD and dielectric studies of gel grown calcium pyrophosphate crystals

NASA Astrophysics Data System (ADS)

Parekh, Bharat; Parikh, Ketan; Joshi, Mihir

2013-06-01

Formation of calcium pyrophosphate dihydrate (CPPD) crystals in soft tissues such as cartilage, meniscus and synovial tissue leads to CPPD deposition diseases. The appearance of these crystals in the synovial fluid can give rise to an acute arthritic attack with pain and inflammation of the joints, a condition called pseudo-gout. The growth of CPP crystals has been carried out, in the present study, using the single diffusion gel growth technique, which can broadly mimic in vitro the condition in soft tissues. The crystals were characterized by different techniques. The FTIR study revealed the presence of various functional groups. Powder XRD study was also carried out to verify the crystal structure. The dielectric study was carried out at room temperature by applying field of different frequency from 500 Hz to 1 MHz. The dielectric constant, dielectric loss and a.c. resistivity decreased as frequency increased, whereas the a.c. conductivity increased as frequency increased.

A methodology to generate high-resolution digital elevation model (DEM) and surface water profile for a physical model using close range photogrammetric (CRP) technique

NASA Astrophysics Data System (ADS)

Mali, V. K.; Kuiry, S. N.

2015-12-01

Comprehensive understanding of the river flow dynamics with varying topography in a real field is very intricate and difficult. Conventional experimental methods based on manual data collection are time consuming and prone to many errors. Recently, remotely sensed satellite imageries are at the best to provide necessary information for large area provided the high resolution but which are very expensive and untimely, consequently, attaining accurate river bathymetry from relatively course resolution and untimely imageries are inaccurate and impractical. Despite of that, these data are often being used to calibrate the river flow models, though these models require highly accurate morpho-dynamic data in order to predict the flow field precisely. Under this circumstance, these data could be supplemented through experimental observations in a physical model with modern techniques. This paper proposes a methodology to generate highly accurate river bathymetry and water surface (WS) profile for a physical model of river network system using CRP technique. For the task accomplishment, a number of DSLR Nikon D5300 cameras (mounted at 3.5 m above the river bed) were used to capture the images of the physical model and the flooding scenarios during the experiments. During experiment, non-specular materials were introduced at the inlet and images were taken simultaneously from different orientations and altitudes with significant overlap of 80%. Ground control points were surveyed using two ultrasonic sensors with ±0.5 mm vertical accuracy. The captured images are, then processed in PhotoScan software to generate the DEM and WS profile. The generated data were then passed through statistical analysis to identify errors. Accuracy of WS profile was limited by extent and density of non-specular powder and stereo-matching discrepancies. Furthermore, several factors of camera including orientation, illumination and altitude of camera. The CRP technique for a large scale physical

A methodology to generate high-resolution digital elevation model (DEM) and surface water profile for a physical model using close range photogrammetric (CRP) technique

NASA Astrophysics Data System (ADS)

Méndez Incera, F. J.; Erikson, L. H.; Ruggiero, P.; Barnard, P.; Camus, P.; Rueda Zamora, A. C.

2014-12-01

Comprehensive understanding of the river flow dynamics with varying topography in a real field is very intricate and difficult. Conventional experimental methods based on manual data collection are time consuming and prone to many errors. Recently, remotely sensed satellite imageries are at the best to provide necessary information for large area provided the high resolution but which are very expensive and untimely, consequently, attaining accurate river bathymetry from relatively course resolution and untimely imageries are inaccurate and impractical. Despite of that, these data are often being used to calibrate the river flow models, though these models require highly accurate morpho-dynamic data in order to predict the flow field precisely. Under this circumstance, these data could be supplemented through experimental observations in a physical model with modern techniques. This paper proposes a methodology to generate highly accurate river bathymetry and water surface (WS) profile for a physical model of river network system using CRP technique. For the task accomplishment, a number of DSLR Nikon D5300 cameras (mounted at 3.5 m above the river bed) were used to capture the images of the physical model and the flooding scenarios during the experiments. During experiment, non-specular materials were introduced at the inlet and images were taken simultaneously from different orientations and altitudes with significant overlap of 80%. Ground control points were surveyed using two ultrasonic sensors with ±0.5 mm vertical accuracy. The captured images are, then processed in PhotoScan software to generate the DEM and WS profile. The generated data were then passed through statistical analysis to identify errors. Accuracy of WS profile was limited by extent and density of non-specular powder and stereo-matching discrepancies. Furthermore, several factors of camera including orientation, illumination and altitude of camera. The CRP technique for a large scale physical

MEASURING NEUTRON STAR RADII VIA PULSE PROFILE MODELING WITH NICER

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

Özel, Feryal; Psaltis, Dimitrios; Bauböck, Michi

2016-11-20

The Neutron-star Interior Composition Explorer is an X-ray astrophysics payload that will be placed on the International Space Station . Its primary science goal is to measure with high accuracy the pulse profiles that arise from the non-uniform thermal surface emission of rotation-powered pulsars. Modeling general relativistic effects on the profiles will lead to measuring the radii of these neutron stars and to constraining their equation of state. Achieving this goal will depend, among other things, on accurate knowledge of the source, sky, and instrument backgrounds. We use here simple analytic estimates to quantify the level at which these backgroundsmore » need to be known in order for the upcoming measurements to provide significant constraints on the properties of neutron stars. We show that, even in the minimal-information scenario, knowledge of the background at a few percent level for a background-to-source countrate ratio of 0.2 allows for a measurement of the neutron star compactness to better than 10% uncertainty for most of the parameter space. These constraints improve further when more realistic assumptions are made about the neutron star emission and spin, and when additional information about the source itself, such as its mass or distance, are incorporated.« less

Application of Physiologically Based Absorption Modeling to Characterize the Pharmacokinetic Profiles of Oral Extended Release Methylphenidate Products in Adults

PubMed Central

Yang, Xiaoxia; Duan, John; Fisher, Jeffrey

2016-01-01

A previously presented physiologically-based pharmacokinetic model for immediate release (IR) methylphenidate (MPH) was extended to characterize the pharmacokinetic behaviors of oral extended release (ER) MPH formulations in adults for the first time. Information on the anatomy and physiology of the gastrointestinal (GI) tract, together with the biopharmaceutical properties of MPH, was integrated into the original model, with model parameters representing hepatic metabolism and intestinal non-specific loss recalibrated against in vitro and in vivo kinetic data sets with IR MPH. A Weibull function was implemented to describe the dissolution of different ER formulations. A variety of mathematical functions can be utilized to account for the engineered release/dissolution technologies to achieve better model performance. The physiological absorption model tracked well the plasma concentration profiles in adults receiving a multilayer-release MPH formulation or Metadate CD, while some degree of discrepancy was observed between predicted and observed plasma concentration profiles for Ritalin LA and Medikinet Retard. A local sensitivity analysis demonstrated that model parameters associated with the GI tract significantly influenced model predicted plasma MPH concentrations, albeit to varying degrees, suggesting the importance of better understanding the GI tract physiology, along with the intestinal non-specific loss of MPH. The model provides a quantitative tool to predict the biphasic plasma time course data for ER MPH, helping elucidate factors responsible for the diverse plasma MPH concentration profiles following oral dosing of different ER formulations. PMID:27723791

High throughput profile-profile based fold recognition for the entire human proteome.

PubMed

McGuffin, Liam J; Smith, Richard T; Bryson, Kevin; Sørensen, Søren-Aksel; Jones, David T

2006-06-07

In order to maintain the most comprehensive structural annotation databases we must carry out regular updates for each proteome using the latest profile-profile fold recognition methods. The ability to carry out these updates on demand is necessary to keep pace with the regular updates of sequence and structure databases. Providing the highest quality structural models requires the most intensive profile-profile fold recognition methods running with the very latest available sequence databases and fold libraries. However, running these methods on such a regular basis for every sequenced proteome requires large amounts of processing power. In this paper we describe and benchmark the JYDE (Job Yield Distribution Environment) system, which is a meta-scheduler designed to work above cluster schedulers, such as Sun Grid Engine (SGE) or Condor. We demonstrate the ability of JYDE to distribute the load of genomic-scale fold recognition across multiple independent Grid domains. We use the most recent profile-profile version of our mGenTHREADER software in order to annotate the latest version of the Human proteome against the latest sequence and structure databases in as short a time as possible. We show that our JYDE system is able to scale to large numbers of intensive fold recognition jobs running across several independent computer clusters. Using our JYDE system we have been able to annotate 99.9% of the protein sequences within the Human proteome in less than 24 hours, by harnessing over 500 CPUs from 3 independent Grid domains. This study clearly demonstrates the feasibility of carrying out on demand high quality structural annotations for the proteomes of major eukaryotic organisms. Specifically, we have shown that it is now possible to provide complete regular updates of profile-profile based fold recognition models for entire eukaryotic proteomes, through the use of Grid middleware such as JYDE.

Validation of the k- ω turbulence model for the thermal boundary layer profile of effusive cooled walls

NASA Astrophysics Data System (ADS)

Hink, R.

2015-09-01

The choice of materials for rocket chamber walls is limited by its thermal resistance. The thermal loads can be reduced substantially by the blowing out of gases through a porous surface. The k- ω-based turbulence models for computational fluid dynamic simulations are designed for smooth, non-permeable walls and have to be adjusted to account for the influence of injected fluids. Wilcox proposed therefore an extension for the k- ω turbulence model for the correct prediction of turbulent boundary layer velocity profiles. In this study, this extension is validated against experimental thermal boundary layer data from the Thermosciences Division of the Department of Mechanical Engineering from the Stanford University. All simulations are performed with a finite volume-based in-house code of the German Aerospace Center. Several simulations with different blowing settings were conducted and discussed in comparison to the results of the original model and in comparison to an additional roughness implementation. This study has permitted to understand that velocity profile corrections are necessary in contrast to additional roughness corrections to predict the correct thermal boundary layer profile of effusive cooled walls. Finally, this approach is applied to a two-dimensional simulation of an effusive cooled rocket chamber wall.

Scopolamine-induced greater alterations in neurochemical profile and increased oxidative stress demonstrated a better model of dementia: A comparative study.

PubMed

Haider, Saida; Tabassum, Saiqa; Perveen, Tahira

2016-10-01

Cognitive decline is found to be a common feature of various neurological disorders like Alzheimer's disease (AD). In order to recapitulate AD associated cognitive deficits and to plan therapeutic strategies researchers have developed various preclinical dementia models to recapitulate different aspects of cognitive domains affected in AD brain. So, the present study was aimed to compare alterations in previously reported dementia models i.e. pharmacological (Scopolamine-induced and corticosterone-induced), Environmental (Aluminium-induced and noise-stress) and physiological (natural aging) models in rats in a single experimental study across three cognitive domains spatial, recognition, and associative memory and associated alterations in their oxidative status and neurochemical profile to select appropriate dementia model. All groups received their respective treatments for 14days after which behavioural analysis was performed including Open Field test to assess ambulatory activity, Novel Object Recognition test, Morris Water Maze test and Passive Avoidance test for the assessment of recognition, spatial and associative memory. After monitoring the behavioural activities, rats were decapitated and their brains and hippocampus samples were collected for analysis of oxidative status and neurochemical profile. Results showed significant decline in different aspects of memory function in all dementia models which was more significant in scopolamine-injected rats. A significant decline in levels of monoamines and acetylcholine was also observed. In addition, significant alterations were also seen in oxidative profile indicating that cognitive decline could be associated with increased oxidative stress. Therefore, present findings highlight that for planning therapeutic strategies against cognitive dysfunctions, scopolamine-induced dementia model is the most appropriate dementia model to reveal AD-related cognitive impairment profile. Copyright © 2016 Elsevier Inc

A social model based on customers' profiles for analyzing the churning process in the mobile market of data plans

NASA Astrophysics Data System (ADS)

Postigo-Boix, Marcos; Melús-Moreno, José L.

2018-04-01

Mobile Network Operators (MNOs) present wireless services of the same kind in identical zones, clients select the service taking into account any element they consider relevant. Churning hits on the design of the network and the method to assign prices by MNOs, and of course their earnings. Therefore, MNOs try to reduce churn detecting potential churners before they leave the service. Our approach to churn prediction considers each customer individually. Previous research shows that members of the social circle of a subscriber may influence churn. Thus, many scenarios that describe social relations, and in which churning processes could be expected, set an emerging challenge with practical implications. This paper uses the Agent-Based Modeling (ABM) technique to model customers. The model's parameters include demographic and psychographic features as well as usage profiles according to their social behavior considering their customers' profiles. Our model modifies and extends an existing real social network generator algorithm that considers customer's profiles and homophily considerations to create connections. We show that using our approach, groups of customers with greater tendency to churn due to the influence of their social networks can be identified better.

An Estimation of a Nonlinear Dynamic Process Using Latent Class Extended Mixed Models: Affect Profiles After Terrorist Attacks.

PubMed

Burro, Roberto; Raccanello, Daniela; Pasini, Margherita; Brondino, Margherita

2018-01-01

Conceptualizing affect as a complex nonlinear dynamic process, we used latent class extended mixed models (LCMM) to understand whether there were unobserved groupings in a dataset including longitudinal measures. Our aim was to identify affect profiles over time in people vicariously exposed to terrorism, studying their relations with personality traits. The participants were 193 university students who completed online measures of affect during the seven days following two terrorist attacks (Paris, November 13, 2015; Brussels, March 22, 2016); Big Five personality traits; and antecedents of affect. After selecting students whose negative affect was influenced by the two attacks (33%), we analysed the data with the LCMM package of R. We identified two affect profiles, characterized by different trends over time: The first profile comprised students with lower positive affect and higher negative affect compared to the second profile. Concerning personality traits, conscientious-ness was lower for the first profile compared to the second profile, and vice versa for neuroticism. Findings are discussed for both their theoretical and applied relevance.

Landed XRD/XRF analysis of prime targets in the search for past or present Martian life.

PubMed

Vaniman, D; Bish, D; Blake, D; Elliott, S T; Sarrazin, P; Collins, S A; Chipera, S

1998-12-25

Mars landers seeking evidence for past or present life will be guided by information from orbital mapping and from previous surface exploration. Several target options have been proposed, including sites that may harbor extant life and sites most likely to preserve evidence of past life These sites have specific mineralogic characteristics. Extant life might be gathered around the sinters and associated mineral deposits of rare active fumaroles, or held within brine pockets and inclusions in a few evaporite-mineral deposits. Possibilities for fossilization include deltaic and lake-bottom sediments of once-flooded craters, sinters formed by ancient hot-spring deposits, and the carbonate deposits associated with some evaporite systems. However, the highly varied mineralogy of fossil occurrences on Earth leads to the inference that Mars, an equally complex planet, could host a broad variety of potential fossilizing deposits. The abundance of volcanic systems on Mars and evidence for close associations between volcanism and water release suggest possibilities of organism entrapment and mineralization in volcaniclastic deposits, as found in some instances on Earth. Thus the targets being considered for exploration include a wide variety of unique deposits that would be characterized by silica or various nonsilicate minerals. Beyond these "special" deposits and in the most general case, an ability to distinguish mineralized from uncemented volcanic detritus may be the key to success in finding possible fossil-bearing authigenic mineralogies. A prototype miniaturized X ray diffraction/X ray fluorescence (XRD/XRF) instrument has been evaluated with silica, carbonate, and sulfate minerals and with a basalt, to examine the capabilities of this tool in mineralogic and petrologic exploration for exobiological goals. This instrument. CHEMIN (chemical and mineralogical analyzer), is based on an innovative low-power X ray tube, transmission geometry, and CCD collection and

Clinical profiles associated with influenza disease in the ferret model.

PubMed

Stark, Gregory V; Long, James P; Ortiz, Diana I; Gainey, Melicia; Carper, Benjamin A; Feng, Jingyu; Miller, Stephen M; Bigger, John E; Vela, Eric M

2013-01-01

Influenza A viruses continue to pose a threat to human health; thus, various vaccines and prophylaxis continue to be developed. Testing of these products requires various animal models including mice, guinea pigs, and ferrets. However, because ferrets are naturally susceptible to infection with human influenza viruses and because the disease state resembles that of human influenza, these animals have been widely used as a model to study influenza virus pathogenesis. In this report, a statistical analysis was performed to evaluate data involving 269 ferrets infected with seasonal influenza, swine influenza, and highly pathogenic avian influenza (HPAI) from 16 different studies over a five year period. The aim of the analyses was to better qualify the ferret model by identifying relationships among important animal model parameters (endpoints) and variables of interest, which include survival, time-to-death, changes in body temperature and weight, and nasal wash samples containing virus, in addition to significant changes from baseline in selected hematology and clinical chemistry parameters. The results demonstrate that a disease clinical profile, consisting of various changes in the biological parameters tested, is associated with various influenza A infections in ferrets. Additionally, the analysis yielded correlates of protection associated with HPAI disease in ferrets. In all, the results from this study further validate the use of the ferret as a model to study influenza A pathology and to evaluate product efficacy.

Mechanism Profiling of Hepatotoxicity Caused by Oxidative Stress Using Antioxidant Response Element Reporter Gene Assay Models and Big Data

PubMed Central

Kim, Marlene Thai; Huang, Ruili; Sedykh, Alexander; Wang, Wenyi; Xia, Menghang; Zhu, Hao

2015-01-01

Background: Hepatotoxicity accounts for a substantial number of drugs being withdrawn from the market. Using traditional animal models to detect hepatotoxicity is expensive and time-consuming. Alternative in vitro methods, in particular cell-based high-throughput screening (HTS) studies, have provided the research community with a large amount of data from toxicity assays. Among the various assays used to screen potential toxicants is the antioxidant response element beta lactamase reporter gene assay (ARE-bla), which identifies chemicals that have the potential to induce oxidative stress and was used to test > 10,000 compounds from the Tox21 program. Objective: The ARE-bla computational model and HTS data from a big data source (PubChem) were used to profile environmental and pharmaceutical compounds with hepatotoxicity data. Methods: Quantitative structure–activity relationship (QSAR) models were developed based on ARE-bla data. The models predicted the potential oxidative stress response for known liver toxicants when no ARE-bla data were available. Liver toxicants were used as probe compounds to search PubChem Bioassay and generate a response profile, which contained thousands of bioassays (> 10 million data points). By ranking the in vitro–in vivo correlations (IVIVCs), the most relevant bioassay(s) related to hepatotoxicity were identified. Results: The liver toxicants profile contained the ARE-bla and relevant PubChem assays. Potential toxicophores for well-known toxicants were created by identifying chemical features that existed only in compounds with high IVIVCs. Conclusion: Profiling chemical IVIVCs created an opportunity to fully explore the source-to-outcome continuum of modern experimental toxicology using cheminformatics approaches and big data sources. Citation: Kim MT, Huang R, Sedykh A, Wang W, Xia M, Zhu H. 2016. Mechanism profiling of hepatotoxicity caused by oxidative stress using antioxidant response element reporter gene assay models and

A model for prediction of profile and flatness of hot and cold rolled flat products in four-high mills

NASA Astrophysics Data System (ADS)

Overhagen, Christian; Mauk, Paul Josef

2018-05-01

For flat rolled products, the thickness profile in the transversal direction is one of the most important product properties. For further processing, a defined crown of the product is necessary. In the rolling process, several mechanical and thermal influences interact with each other to form the strip shape at the roll gap exit. In the present analysis, a process model for rolling of strip and sheet is presented. The core feature of the process model is a two-dimensional stress distribution model based on von Karman's differential equation. Sub models for the mechanical influences of work roll flattening as well as work and backup roll deflection and the thermal influence of work roll expansion have been developed or extended. The two-dimensional stress distribution serves as an input parameter for the roll deformation models. For work roll flattening, a three-dimensional model based on the Boussinesq problem is adopted, while the work and backup roll deflection, including contact flattening is calculated by means of finite beam elements. The thermal work roll crown is calculated with help of an axisymmetric numerical solution of the heat equation for the work roll, considering azimuthal averaging for the boundary conditions at the work roll surface. Results are presented for hot rolling of a strip in a seven-stand finishing train of a hot strip mill, showing the calculated evolution of the strip profile. A variation of the strip profile from the first to the 20th rolled strip is shown. This variation is addressed to the progressive increase of work roll temperature during the first 20 strips. It is shown that a CVC® system can lead to improvements in strip profile and therefore flatness.

Using Instruments as Applied Science, Multipurpose Tools During Human Exploration: An XRD/XRF Demonstration Strategy for the Deep Space Gateway

NASA Astrophysics Data System (ADS)

Bleacher, J. E.; Gendreau, K.; Arzoumanian, Z.; Young, K. E.; McAdam, A.

2018-02-01

Science instruments to be used during human exploration should be designed to serve as multipurpose tools that are of use throughout a mission. Here we discuss a multipurpose tool approach to using contact XRD/XRF onboard the Deep Space Gateway.

Development of Integrated Magnetic and Kinetic Control-oriented Transport Model for q-profile Response Prediction in EAST Discharges

NASA Astrophysics Data System (ADS)

Wang, Hexiang; Schuster, Eugenio; Rafiq, Tariq; Kritz, Arnold; Ding, Siye

2016-10-01

Extensive research has been conducted to find high-performance operating scenarios characterized by high fusion gain, good confinement, plasma stability and possible steady-state operation. A key plasma property that is related to both the stability and performance of these advanced plasma scenarios is the safety factor profile. A key component of the EAST research program is the exploration of non-inductively driven steady-state plasmas with the recently upgraded heating and current drive capabilities that include lower hybrid current drive and neutral beam injection. Anticipating the need for tight regulation of the safety factor profile in these plasma scenarios, a first-principles-driven (FPD)control-oriented model is proposed to describe the safety factor profile evolution in EAST in response to the different actuators. The TRANSP simulation code is employed to tailor the FPD model to the EAST tokamak geometry and to convert it into a form suitable for control design. The FPD control-oriented model's prediction capabilities are demonstrated by comparing predictions with experimental data from EAST. Supported by the US DOE under DE-SC0010537,DE-FG02-92ER54141 and DE-SC0013977.

Five factor model personality traits relate to adult attention-deficit/hyperactivity disorder but not to their distinct neurocognitive profiles.

PubMed

Van Dijk, Fiona E; Mostert, Jeannette; Glennon, Jeffrey; Onnink, Marten; Dammers, Janneke; Vasquez, Alejandro Arias; Kan, Cornelis; Verkes, Robbert Jan; Hoogman, Martine; Franke, Barbara; Buitelaar, Jan K

2017-12-01

Deficits in multiple neuropsychological domains and specific personality profiles have been observed in attention-deficit/hyperactivity disorder (ADHD). In this study we investigated whether personality traits are related to neurocognitive profiles in adults with ADHD. Neuropsychological performance and Five Factor Model (FFM) personality traits were measured in adults with ADHD (n = 133) and healthy controls (n = 132). Three neuropsychological profiles, derived from previous community detection analyses, were investigated for personality trait differences. Irrespective of cognitive profile, participants with ADHD showed significantly higher Neuroticism and lower Extraversion, Agreeableness, and Conscientiousness than healthy controls. Only the FFM personality factor Openness differed significantly between the three profiles. Higher Openness was more common in those with aberrant attention and inhibition than those with increased delay discounting and atypical working memory / verbal fluency. The results suggest that the personality trait Openness, but not any other FFM factor, is linked to neurocognitive profiles in ADHD. ADHD symptoms rather than profiles of cognitive impairment have associations with personality traits. Copyright © 2017 Elsevier B.V. All rights reserved.

Theoretical modeling of the MILES hit profiles in military weapon low-data rate simulators

NASA Astrophysics Data System (ADS)

Andrews, L. C.; Phillips, R. L.; Smith, C. A.; Belichki, S. B.; Crabbs, R.; Cofarro, J. T.; Fountain, W.; Tucker, F. M.; Parrish, B. J.

2016-09-01

Math modeling of a low-data-rate optical communication system is presented and compared with recent testing results over ranges up to 100 m in an indoor tunnel at Kennedy Space Center. Additional modeling of outdoor testing results at longer ranges in the open atmosphere is also presented. The system modeled is the Army's Multiple Integrated Laser Engagement System (MILES) that has been used as a tactical training system since the early 1980s. The objective of the current modeling and testing is to obtain target hit zone profiles for the M16A2/M4 rifles and establish a data baseline for MILES that will aid in its upgrade using more recently developed lasers and detectors.

Understanding GPU Power. A Survey of Profiling, Modeling, and Simulation Methods

DOE PAGES

Bridges, Robert A.; Imam, Neena; Mintz, Tiffany M.

2016-09-01

Modern graphics processing units (GPUs) have complex architectures that admit exceptional performance and energy efficiency for high throughput applications.Though GPUs consume large amounts of power, their use for high throughput applications facilitate state-of-the-art energy efficiency and performance. Consequently, continued development relies on understanding their power consumption. Our work is a survey of GPU power modeling and profiling methods with increased detail on noteworthy efforts. Moreover, as direct measurement of GPU power is necessary for model evaluation and parameter initiation, internal and external power sensors are discussed. Hardware counters, which are low-level tallies of hardware events, share strong correlation to powermore » use and performance. Statistical correlation between power and performance counters has yielded worthwhile GPU power models, yet the complexity inherent to GPU architectures presents new hurdles for power modeling. Developments and challenges of counter-based GPU power modeling is discussed. Often building on the counter-based models, research efforts for GPU power simulation, which make power predictions from input code and hardware knowledge, provide opportunities for optimization in programming or architectural design. Noteworthy strides in power simulations for GPUs are included along with their performance or functional simulator counterparts when appropriate. Lastly, possible directions for future research are discussed.« less

Understanding GPU Power. A Survey of Profiling, Modeling, and Simulation Methods

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

Bridges, Robert A.; Imam, Neena; Mintz, Tiffany M.

Modern graphics processing units (GPUs) have complex architectures that admit exceptional performance and energy efficiency for high throughput applications.Though GPUs consume large amounts of power, their use for high throughput applications facilitate state-of-the-art energy efficiency and performance. Consequently, continued development relies on understanding their power consumption. Our work is a survey of GPU power modeling and profiling methods with increased detail on noteworthy efforts. Moreover, as direct measurement of GPU power is necessary for model evaluation and parameter initiation, internal and external power sensors are discussed. Hardware counters, which are low-level tallies of hardware events, share strong correlation to powermore » use and performance. Statistical correlation between power and performance counters has yielded worthwhile GPU power models, yet the complexity inherent to GPU architectures presents new hurdles for power modeling. Developments and challenges of counter-based GPU power modeling is discussed. Often building on the counter-based models, research efforts for GPU power simulation, which make power predictions from input code and hardware knowledge, provide opportunities for optimization in programming or architectural design. Noteworthy strides in power simulations for GPUs are included along with their performance or functional simulator counterparts when appropriate. Lastly, possible directions for future research are discussed.« less

Defining stem profile model for wood valuation of red pine in Ontario and Michigan with consideration of stand density influence on tree taper

Treesearch

W. T. Zakrzewski; M. Penner; D. W. MacFarlane

2007-01-01

As part of the Canada-United States Great Lakes Stem Profile Modelling Project, established to support the local timber production process and to enable cross-border comparisons of timber volumes, here we present results of fitting Zakrzewski's (1999) stem profile model for red pine (Pinus resinosa Ait.) growing in Michigan, United States, and...

SPECIATE--EPA'S DATABASE OF SPECIATED EMISSION PROFILES

EPA Science Inventory

SPECIATE is EPA's repository of Total Organic Compound and Particulate Matter speciated profiles for a wide variety of sources. The profiles in this system are provided for air quality dispersion modeling and as a library for source-receptor and source apportionment type models. ...

Nonlinear mixed effects modeling of the diurnal blood pressure profile in a multiracial population.

PubMed

van Rijn-Bikker, Petra C; Snelder, Nelleke; Ackaert, Oliver; van Hest, Reinier M; Ploeger, Bart A; van Montfrans, Gert A; Koopmans, Richard P; Mathôt, Ron A

2013-09-01

Cardiac and cerebrovascular events in hypertensive patients are related to specific features of the 24-hour diurnal blood pressure (BP) profile (i.e., daytime and nighttime BP, nocturnal dip (ND), and morning surge (MS)). This investigation aimed to characterize 24-hour diurnal systolic BP (SBP) with parameters that correlate directly with daytime and nighttime SBP, ND, and MS using nonlinear mixed effects modeling. Ambulatory 24-hour SBP measurements (ABPM) of 196 nontreated subjects from three ethnic groups were available. A population model was parameterized in NONMEM to estimate and evaluate the parameters baseline SBP (BSL), nadir (minimum SBP during the night), and change (SBP difference between day and night). Associations were tested between these parameters and patient-related factors to explain interindividual variability. The diurnal SBP profile was adequately described as the sum of 2 cosine functions. The following typical values (interindividual variability) were found: BSL = 139 mm Hg (11%); nadir = 122 mm Hg (14%); change = 25 mm Hg (52%), and residual error = 12 mm Hg. The model parameters correlate well with daytime and nighttime SBP, ND, and MS (R (2) = 0.50-0.92). During covariate analysis, ethnicity was found to be associated with change; change was 40% higher in white Dutch subjects and 26.8% higher in South Asians than in blacks. The developed population model allows simultaneous estimation of BSL, nadir, and change for all individuals in the investigated population, regardless of individual number of SBP measurements. Ethnicity was associated with change. The model provides a tool to evaluate and optimize the sampling frequency for 24-hour ABPM.

Modelling supernova line profile asymmetries to determine ejecta dust masses: SN 1987A from days 714 to 3604

NASA Astrophysics Data System (ADS)

Bevan, Antonia; Barlow, M. J.

2016-02-01

The late-time optical and near-IR line profiles of many core-collapse supernovae exhibit a red-blue asymmetry as a result of greater extinction by internal dust of radiation emitted from the receding parts of the supernova ejecta. We present here a new code, DAMOCLES, that models the effects of dust on the line profiles of core-collapse supernovae in order to determine newly formed dust masses. We find that late-time dust-affected line profiles may exhibit an extended red scattering wing (as noted by Lucy et al. 1989) and that they need not be flux-biased towards the blue, although the profile peak will always be blueshifted. We have collated optical spectra of SN 1987A from a variety of archival sources and have modelled the Hα line from days 714 to 3604 and the [O I] 6300,6363 Å doublet between days 714 and 1478. Our line profile fits rule out day 714 dust masses >3 × 10-3 M⊙ for all grain types apart from pure magnesium silicates, for which no more than 0.07 M⊙ can be accommodated. Large grain radii ( ≥ 0.6 μm) are generally required to fit the line profiles even at the earlier epochs. We find that a large dust mass (≥0.1 M⊙) had formed by day 3604 and infer that the majority of the present dust mass must have formed after this epoch. Our findings agree with recent estimates from spectral energy distribution fits for the dust mass evolution of SN 1987A and support the inference that the majority of SN 1987A's dust formed many years after the initial explosion.

New seismic Vp- and Vp/Vs- models of HUKKA 2007 wide-angle reflection and refraction profile in northern Fennoscandian Shield

NASA Astrophysics Data System (ADS)

Tiira, T.; Janik, T.; Kozlovskaya, E.; Grad, M.; Korja, A.; Komminaho, K.; Hegedüs, E.; Kovács, C. A.; Silvennoinen, H.; Brückl, E.

2012-04-01

We study the block structure within accreationary orogens. We present an example from northern part of the Fennoscandian Shield transected by deep seismic sounding profile HUKKA 2007. The 455 km long profile runs in NNW-SSE direction from Kittilä in northwestern Finnish Lapland to Kostamush in Russia near central part of the border between Finland and Russia. We present 2-D seismic velocity model (Vp and Vp/Vs ratio in the crust, depth to the Moho and depth to the intracrustal reflectors) along HUKKA 2007 wide-angle reflection and refraction profile in northern Finland. Commercial and military chemical explosions at 7 shot points were used as sources of the seismic energy. The shots were recorded by 115 recording stations deployed along the profile with an average station spacing of 3.45 km. The field recordings were cut and sorted into shot gathers. The 2-D velocity model of the HUKKA 2007 profile was developed by SEIS83 forward raytracing package using arrivals of major refracted and reflected P- and S-wave phases. In general the velocities vary in the upper crust between 5.8 and 6.1 km/s. Interesting features are three high P wave velocity (6.30-6.35 km/s) bodies in the upper crust. Two small bodies lie close to surface at first 100 km and the third one can be followed from 200 to 350 km along the profile reaching depth of 5-10 km. The central part of the profile (between 120 and 220 km) has a zone of low (lower than 6 km/s) P-wave velocity in the uppermost crust. This zone is about 4 km thick. In addition, the velocity model along the HUKKA 2007 profile shows significant difference in crustal velocity structure between the northern (up to 120 km) and southern parts of the profile. The differences in P-wave velocities and Vp/Vs ratio can be followed throughout the crust down to the Moho boundary. This suggests that the HUKKA 2007 profile transects a major terrane boundary. However, the position of this boundary with respect to major crustal units is

Addendum: ``The Dynamics of M15: Observations of the Velocity Dispersion Profile and Fokker-Planck Models'' (ApJ, 481, 267 [1997])

NASA Astrophysics Data System (ADS)

Dull, J. D.; Cohn, H. N.; Lugger, P. M.; Murphy, B. W.; Seitzer, P. O.; Callanan, P. J.; Rutten, R. G. M.; Charles, P. A.

2003-03-01

It has recently come to our attention that there are axis scale errors in three of the figures presented in Dull et al. (1997, hereafter D97). This paper presented Fokker-Planck models for the collapsed-core globular cluster M15 that include a dense, centrally concentrated population of neutron stars and massive white dwarfs. These models do not include a central black hole. Figure 12 of D97, which presents the predicted mass-to-light profile, is of particular interest, since it was used by Gerssen et al. (2002) as an input to their Jeans equation analysis of the Hubble Space Telescope (HST) STIS velocity measurements reported by van der Marel et al. (2002). On the basis of the original, incorrect version of Figure 12, Gerssen et al. (2002) concluded that the D97 models can fit the new data only with the addition of an intermediate-mass black hole. However, this is counter to our previous finding, shown in Figure 6 of D97, that the Fokker-Planck models predict the sort of moderately rising velocity dispersion profile that Gerssen et al. (2002) infer from the new data. Baumgardt et al. (2003) have independently noted this apparent inconsistency. We appreciate the thoughtful cooperation of Roeland van der Marel in resolving this issue. Using our corrected version of Figure 12 (see below), Gerssen et al. (2003) now find that the velocity dispersion profile that they infer from the D97 mass-to-light ratio profile is entirely consistent with the velocity dispersion profile presented in Figure 6 of D97. Gerssen et al. (2003) further find that there is no statistically significant difference between the fit to the van der Marel et al. (2002) velocity measurements provided by the D97 intermediate-phase model and that provided by their model, which supplements this D97 model with a 1.7+2.7-1.7×103Msolar black hole. Thus, the choice between models with and without black holes will require additional model predictions and observational tests. We present corrected versions of

Identifying Developmental Zones in Maize Lateral Root Cell Length Profiles using Multiple Change-Point Models

PubMed Central

Moreno-Ortega, Beatriz; Fort, Guillaume; Muller, Bertrand; Guédon, Yann

2017-01-01

The identification of the limits between the cell division, elongation and mature zones in the root apex is still a matter of controversy when methods based on cellular features, molecular markers or kinematics are compared while methods based on cell length profiles have been comparatively underexplored. Segmentation models were developed to identify developmental zones within a root apex on the basis of epidermal cell length profiles. Heteroscedastic piecewise linear models were estimated for maize lateral roots of various lengths of both wild type and two mutants affected in auxin signaling (rtcs and rum-1). The outputs of these individual root analyses combined with morphological features (first root hair position and root diameter) were then globally analyzed using principal component analysis. Three zones corresponding to the division zone, the elongation zone and the mature zone were identified in most lateral roots while division zone and sometimes elongation zone were missing in arrested roots. Our results are consistent with an auxin-dependent coordination between cell flux, cell elongation and cell differentiation. The proposed segmentation models could extend our knowledge of developmental regulations in longitudinally organized plant organs such as roots, monocot leaves or internodes. PMID:29123533

Modeling Reef Island Morphodynamics in Profile and Plan View

NASA Astrophysics Data System (ADS)

Ashton, A. D.; Ortiz, A. C.; Lorenzo-Trueba, J.

2016-12-01

Reef islands are carbonate detrital landforms perched atop shallow reef flats of atolls and barrier reef systems. Often comprising the only subaerial, inhabitable land of many island chains and island nations, these low-lying, geomorphically active landforms face considerable hazards from climate change. While there hazards include wave overtopping and groundwater salinization, sea-level rise and wave climate change will affect sediment transport and shoreline dynamics, including the possibility for wholesale reorganization of the islands themselves. Here we present a simplified morphodynamic model that can spatially quantify the potential impacts of climate change on reef islands. Using parameterizations of sediment transport pathways and feedbacks from previously presented XBeach modeling results, we investigate how sea-level rise, change in storminess, and different carbonate production rates can affect the profile evolution of reef islands, including feedbacks with the shallow reef flat that bounds the islands offshore (and lagoonward). Model results demonstrate that during rising sea levels, the reef flat can serve as a sediment trap, starving reef islands of detrital sediment that could otherwise fortify the shore against sea-level-rise-driven erosion. On the other hand, if reef flats are currently shallow (likely due to geologic inheritance or biologic cementation processes) such that sea-level rise does not result in sediment accumulation on the flat, reef island shorelines may be more resilient to rising seas. We extend the model in plan view to examine how long-term (decadal) changes in wave approach direction could affect reef island shoreline orientation. We compare model results to historical and geologic change for different case studies on the Marshall Islands. This simplified modeling approach, focusing on boundary dynamics and mass fluxes, provides a quantitative tool to predict the response of reef island environments to climate change.

Multiscale structural characterizations of mixed U(iv)-An(iii) oxalates (An(iii) = Pu or Am) combining XAS and XRD measurements.

PubMed

Arab-Chapelet, B; Martin, P M; Costenoble, S; Delahaye, T; Scheinost, A C; Grandjean, S; Abraham, F

2016-04-28

Mixed actinide(III,IV) oxalates of the general formula M2.2UAn(C2O4)5·nH2O (An = Pu or Am and M = H3O(+) and N2H5(+)) have been quantitatively precipitated by oxalic precipitation in nitric acid medium (yield >99%). Thorough multiscale structural characterization using XRD and XAS measurements confirmed the existence of mixed actinide oxalate solid solutions. The XANES analysis confirmed that the oxidation states of the metallic cations, tetravalent for uranium and trivalent for plutonium and americium, are maintained during the precipitation step. EXAFS measurements show that the local environments around U(+IV), Pu(+III) and Am(+III) are comparable, and the actinides are surrounded by ten oxygen atoms from five bidentate oxalate anions. The mean metal-oxygen distances obtained by XAS measurements are in agreement with those calculated from XRD lattice parameters.

Atomistic minimal model for estimating profile of electrodeposited nanopatterns

NASA Astrophysics Data System (ADS)

Asgharpour Hassankiadeh, Somayeh; Sadeghi, Ali

2018-06-01

We develop a computationally efficient and methodologically simple approach to realize molecular dynamics simulations of electrodeposition. Our minimal model takes into account the nontrivial electric field due a sharp electrode tip to perform simulations of the controllable coating of a thin layer on a surface with an atomic precision. On the atomic scale a highly site-selective electrodeposition of ions and charged particles by means of the sharp tip of a scanning probe microscope is possible. A better understanding of the microscopic process, obtained mainly from atomistic simulations, helps us to enhance the quality of this nanopatterning technique and to make it applicable in fabrication of nanowires and nanocontacts. In the limit of screened inter-particle interactions, it is feasible to run very fast simulations of the electrodeposition process within the framework of the proposed model and thus to investigate how the shape of the overlayer depends on the tip-sample geometry and dielectric properties, electrolyte viscosity, etc. Our calculation results reveal that the sharpness of the profile of a nano-scale deposited overlayer is dictated by the normal-to-sample surface component of the electric field underneath the tip.

The Dynamics of M15: Observations of the Velocity Dispersion Profile and Fokker-Planck Models

NASA Astrophysics Data System (ADS)

Dull, J. D.; Cohn, H. N.; Lugger, P. M.; Murphy, B. W.; Seitzer, P. O.; Callanan, P. J.; Rutten, R. G. M.; Charles, P. A.

1997-05-01

We report a new measurement of the velocity dispersion profile within 1' (3 pc) of the center of the globular cluster M15 (NGC 7078), using long-slit spectra from the 4.2 m William Herschel Telescope at La Palma Observatory. We obtained spatially resolved spectra for a total of 23 slit positions during two observing runs. During each run, a set of parallel slit positions was used to map out the central region of the cluster; the position angle used during the second run was orthogonal to that used for the first. The spectra are centered in wavelength near the Ca II infrared triplet at 8650 Å, with a spectral range of about 450 Å. We determined radial velocities by cross-correlation techniques for 131 cluster members. A total of 32 stars were observed more than once. Internal and external comparisons indicate a velocity accuracy of about 4 km s-1. The velocity dispersion profile rises from about σ = 7.2 +/- 1.4 km s-1 near 1' from the center of the cluster to σ = 13.9 +/- 1.8 km s-1 at 20". Inside of 20", the dispersion remains approximately constant at about 10.2 +/- 1.4 km s-1 with no evidence for a sharp rise near the center. This last result stands in contrast with that of Peterson, Seitzer, & Cudworth who found a central velocity dispersion of 25 +/- 7 km s-1, based on a line-broadening measurement. Our velocity dispersion profile is in good agreement with those determined in the recent studies of Gebhardt et al. and Dubath & Meylan. We have developed a new set of Fokker-Planck models and have fitted these to the surface brightness and velocity dispersion profiles of M15. We also use the two measured millisecond pulsar accelerations as constraints. The best-fitting model has a mass function slope of x = 0.9 (where 1.35 is the slope of the Salpeter mass function) and a total mass of 4.9 × 105 M⊙. This model contains approximately 104 neutron stars (3% of the total mass), the majority of which lie within 6" (0.2 pc) of the cluster center. Since the

On the appropriate definition of soil profile configuration and initial conditions for land surface-hydrology models in cold regions

NASA Astrophysics Data System (ADS)

Sapriza-Azuri, Gonzalo; Gamazo, Pablo; Razavi, Saman; Wheater, Howard S.

2018-06-01

Arctic and subarctic regions are amongst the most susceptible regions on Earth to global warming and climate change. Understanding and predicting the impact of climate change in these regions require a proper process representation of the interactions between climate, carbon cycle, and hydrology in Earth system models. This study focuses on land surface models (LSMs) that represent the lower boundary condition of general circulation models (GCMs) and regional climate models (RCMs), which simulate climate change evolution at the global and regional scales, respectively. LSMs typically utilize a standard soil configuration with a depth of no more than 4 m, whereas for cold, permafrost regions, field experiments show that attention to deep soil profiles is needed to understand and close the water and energy balances, which are tightly coupled through the phase change. To address this gap, we design and run a series of model experiments with a one-dimensional LSM, called CLASS (Canadian Land Surface Scheme), as embedded in the MESH (Modélisation Environmentale Communautaire - Surface and Hydrology) modelling system, to (1) characterize the effect of soil profile depth under different climate conditions and in the presence of parameter uncertainty; (2) assess the effect of including or excluding the geothermal flux in the LSM at the bottom of the soil column; and (3) develop a methodology for temperature profile initialization in permafrost regions, where the system has an extended memory, by the use of paleo-records and bootstrapping. Our study area is in Norman Wells, Northwest Territories of Canada, where measurements of soil temperature profiles and historical reconstructed climate data are available. Our results demonstrate a dominant role for parameter uncertainty, that is often neglected in LSMs. Considering such high sensitivity to parameter values and dependency on the climate condition, we show that a minimum depth of 20 m is essential to adequately represent

Model predictions of wind and turbulence profiles associated with an ensemble of aircraft accidents

NASA Technical Reports Server (NTRS)

Williamson, G. G.; Lewellen, W. S.; Teske, M. E.

1977-01-01

The feasibility of predicting conditions under which wind/turbulence environments hazardous to aviation operations exist is studied by examining a number of different accidents in detail. A model of turbulent flow in the atmospheric boundary layer is used to reconstruct wind and turbulence profiles which may have existed at low altitudes at the time of the accidents. The predictions are consistent with available flight recorder data, but neither the input boundary conditions nor the flight recorder observations are sufficiently precise for these studies to be interpreted as verification tests of the model predictions.

Hierarchical kernel mixture models for the prediction of AIDS disease progression using HIV structural gp120 profiles

PubMed Central

2010-01-01

Changes to the glycosylation profile on HIV gp120 can influence viral pathogenesis and alter AIDS disease progression. The characterization of glycosylation differences at the sequence level is inadequate as the placement of carbohydrates is structurally complex. However, no structural framework is available to date for the study of HIV disease progression. In this study, we propose a novel machine-learning based framework for the prediction of AIDS disease progression in three stages (RP, SP, and LTNP) using the HIV structural gp120 profile. This new intelligent framework proves to be accurate and provides an important benchmark for predicting AIDS disease progression computationally. The model is trained using a novel HIV gp120 glycosylation structural profile to detect possible stages of AIDS disease progression for the target sequences of HIV+ individuals. The performance of the proposed model was compared to seven existing different machine-learning models on newly proposed gp120-Benchmark_1 dataset in terms of error-rate (MSE), accuracy (CCI), stability (STD), and complexity (TBM). The novel framework showed better predictive performance with 67.82% CCI, 30.21 MSE, 0.8 STD, and 2.62 TBM on the three stages of AIDS disease progression of 50 HIV+ individuals. This framework is an invaluable bioinformatics tool that will be useful to the clinical assessment of viral pathogenesis. PMID:21143806

Synchrotron Radiation XRD Analysis of Indialite in Y-82094 Ungrouped Carbonaceous Chondrite

NASA Technical Reports Server (NTRS)

Mikouchi, T.; Hagiya, K.; Sawa, N.; Kimura, M.; Ohsumi, K.; Komatsu, M.; Zolensky, M.

2016-01-01

Y-82094 is an ungrouped type 3.2 carbonaceous chondrite, with abundant chondrules making 78 vol.% of the rock. Among these chondrules, an unusual porphyritic Al-rich magnesian chondrule is reported that consists of a cordierite-like phase, Al-rich orthopyroxene, cristobalite, and spinel surrounded by an anorthitic mesostasis. The reported chemical formula of the cordierite-like phase is Na(0.19)Mg(1.95)Fe(0.02)Al(3.66)Si(5.19)O18, which is close to stoichiometric cordierite (Mg2Al3[AlSi5O18]). Although cordierite can be present in Al-rich chondrules, it has a high temperature polymorph (indialite) and it is therefore necessary to determine whether it is cordierite or indialite in order to better constrain its formation conditions. In this abstract we report on our synchrotron radiation X-ray diffraction (SR-XRD) study of the cordierite-like phase in Y-82094.

Thermal decomposition of dolomite under CO2: insights from TGA and in situ XRD analysis.

PubMed

Valverde, Jose Manuel; Perejon, Antonio; Medina, Santiago; Perez-Maqueda, Luis A

2015-11-28

Thermal decomposition of dolomite in the presence of CO2 in a calcination environment is investigated by means of in situ X-ray diffraction (XRD) and thermogravimetric analysis (TGA). The in situ XRD results suggest that dolomite decomposes directly at a temperature around 700 °C into MgO and CaO. Immediate carbonation of nascent CaO crystals leads to the formation of calcite as an intermediate product of decomposition. Subsequently, decarbonation of this poorly crystalline calcite occurs when the reaction is thermodynamically favorable and sufficiently fast at a temperature depending on the CO2 partial pressure in the calcination atmosphere. Decarbonation of this dolomitic calcite occurs at a lower temperature than limestone decarbonation due to the relatively low crystallinity of the former. Full decomposition of dolomite leads also to a relatively low crystalline CaO, which exhibits a high reactivity as compared to limestone derived CaO. Under CO2 capture conditions in the Calcium-Looping (CaL) process, MgO grains remain inert yet favor the carbonation reactivity of dolomitic CaO especially in the solid-state diffusion controlled phase. The fundamental mechanism that drives the crystallographic transformation of dolomite in the presence of CO2 is thus responsible for its fast calcination kinetics and the high carbonation reactivity of dolomitic CaO, which makes natural dolomite a potentially advantageous alternative to limestone for CO2 capture in the CaL technology as well as SO2in situ removal in oxy-combustion fluidized bed reactors.

A Binomial Modeling Approach for Upscaling Colloid Transport Under Unfavorable Attachment Conditions: Emergent Prediction of Nonmonotonic Retention Profiles

NASA Astrophysics Data System (ADS)

Hilpert, Markus; Johnson, William P.

2018-01-01

We used a recently developed simple mathematical network model to upscale pore-scale colloid transport information determined under unfavorable attachment conditions. Classical log-linear and nonmonotonic retention profiles, both well-reported under favorable and unfavorable attachment conditions, respectively, emerged from our upscaling. The primary attribute of the network is colloid transfer between bulk pore fluid, the near-surface fluid domain (NSFD), and attachment (treated as irreversible). The network model accounts for colloid transfer to the NSFD of downgradient grains and for reentrainment to bulk pore fluid via diffusion or via expulsion at rear flow stagnation zones (RFSZs). The model describes colloid transport by a sequence of random trials in a one-dimensional (1-D) network of Happel cells, which contain a grain and a pore. Using combinatorial analysis that capitalizes on the binomial coefficient, we derived from the pore-scale information the theoretical residence time distribution of colloids in the network. The transition from log-linear to nonmonotonic retention profiles occurs when the conditions underlying classical filtration theory are not fulfilled, i.e., when an NSFD colloid population is maintained. Then, nonmonotonic retention profiles result potentially both for attached and NSFD colloids. The concentration maxima shift downgradient depending on specific parameter choice. The concentration maxima were also shown to shift downgradient temporally (with continued elution) under conditions where attachment is negligible, explaining experimentally observed downgradient transport of retained concentration maxima of adhesion-deficient bacteria. For the case of zero reentrainment, we develop closed-form, analytical expressions for the shape, and the maximum of the colloid retention profile.

Validation of a coupled core-transport, pedestal-structure, current-profile and equilibrium model

NASA Astrophysics Data System (ADS)

Meneghini, O.

2015-11-01

The first workflow capable of predicting the self-consistent solution to the coupled core-transport, pedestal structure, and equilibrium problems from first-principles and its experimental tests are presented. Validation with DIII-D discharges in high confinement regimes shows that the workflow is capable of robustly predicting the kinetic profiles from on axis to the separatrix and matching the experimental measurements to within their uncertainty, with no prior knowledge of the pedestal height nor of any measurement of the temperature or pressure. Self-consistent coupling has proven to be essential to match the experimental results, and capture the non-linear physics that governs the core and pedestal solutions. In particular, clear stabilization of the pedestal peeling ballooning instabilities by the global Shafranov shift and destabilization by additional edge bootstrap current, and subsequent effect on the core plasma profiles, have been clearly observed and documented. In our model, self-consistency is achieved by iterating between the TGYRO core transport solver (with NEO and TGLF for neoclassical and turbulent flux), and the pedestal structure predicted by the EPED model. A self-consistent equilibrium is calculated by EFIT, while the ONETWO transport package evolves the current profile and calculates the particle and energy sources. The capabilities of such workflow are shown to be critical for the design of future experiments such as ITER and FNSF, which operate in a regime where the equilibrium, the pedestal, and the core transport problems are strongly coupled, and for which none of these quantities can be assumed to be known. Self-consistent core-pedestal predictions for ITER, as well as initial optimizations, will be presented. Supported by the US Department of Energy under DE-FC02-04ER54698, DE-SC0012652.

Improved Representation of the Self-Perception Profile for Children through Bifactor Exploratory Structural Equation Modeling

ERIC Educational Resources Information Center

Arens, A. Katrin; Morin, Alexandre J. S.

2017-01-01

This study illustrates an integrative psychometric framework to investigate two sources of construct-relevant multidimensionality in answers to the Self-Perception Profile for Children (SPPC). Using a sample of 2,353 German students attending Grades 3 to 6, we contrasted: (a) first-order versus hierarchical and bifactor models to investigate…

New Vary-Chap Profile of the Topside Ionosphere Electron Density Distribution for use with the IRI Model and the GIRO Real-Time Data

NASA Technical Reports Server (NTRS)

Nsumei, Patrick; Reinisch, Bodo W.; Huang, Xueqin; Bilitza, Dieter

2012-01-01

A new Vary-Chap function is introduced for the empirical modeling of the electron density N(h) profile in the topside ionosphere that uses a shape function S(h) in the generalized Chapman function. The Vary-Chap profile extends the bottomside profile that is specified by the IRI model or measured by the Global Ionospheric Radio Observatory (GIRO) to the altitude of the ISIS-2 satellite. Some 80,000 topside profiles, measured by the topside sounder on the ISIS-2 satellite were analyzed, and the shape function S(h) was calculated for each profile. A parameterized function S*(h), composed of two sub-functions S1(h) and S2(h), is fitted to the measured S(h) profile using three free parameters. At altitudes just above the F2 layer peak height hmF2, the shape function S1 controls S(h), and at greater altitudes S2 controls S(h). The height of the intersection of S1 and S2 is defined as the transition height h(sub T) indicating the transition from an O(+) to an H(+)-dominated profile shape. The observed transition heights range from approx.500 km to 800 km.

Precipitation-Induced Changes in Microstrain and Its Relation with Hardness and Tempering Parameter in 17-4 PH Stainless Steel

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Manojkumar, R.; Jayakumar, T.; Das, C. R.; Rao, B. P. C.

2016-06-01

17-4 PH (precipitation hardening) stainless steel is a soft martensitic stainless steel strengthened by aging at appropriate temperature for sufficient duration. Precipitation of copper particles in the martensitic matrix during aging causes coherency strains which improves the mechanical properties, namely hardness and strength of the matrix. The contributions to X-ray diffraction (XRD) profile broadening due to coherency strains caused by precipitation and crystallite size changes due to aging are separated and quantified using the modified Williamson-Hall approach. The estimated normalized mean square strain and crystallite size are used to explain the observed changes in hardness. Microstructural changes observed in secondary electron images are in qualitative agreement with crystallite size changes estimated from XRD profile analysis. The precipitation kinetics in the age-hardening regime and overaged regime are studied from hardness changes and they follow the Avrami kinetics and Wilson's model, respectively. In overaged condition, the hardness changes are linearly correlated to the tempering parameter (also known as Larson-Miller parameter). Similar linear variation is observed between the normalized mean square strain (determined from XRD line profile analysis) and the tempering parameter, in the incoherent regime which is beyond peak microstrain conditions.

Efficient calculation of general Voigt profiles

NASA Astrophysics Data System (ADS)

Cope, D.; Khoury, R.; Lovett, R. J.

1988-02-01

An accurate and efficient program is presented for the computation of OIL profiles, generalizations of the Voigt profile resulting from the one-interacting-level model of Ward et al. (1974). These profiles have speed dependent shift and width functions and have asymmetric shapes. The program contains an adjustable error control parameter and includes the Voigt profile as a special case, although the general nature of this program renders it slower than a specialized Voigt profile method. Results on accuracy and computation time are presented for a broad set of test parameters, and a comparison is made with previous work on the asymptotic behavior of general Voigt profiles.

Analytical electron microscopy of Mg-SiO smokes - A comparison with infrared and XRD studies

NASA Technical Reports Server (NTRS)

Rietmeijer, F. J. M.; Nuth, J. A.; Mackinnon, I. D. R.

1986-01-01

Analytical electron microscopy conducted for Mg-SiO smokes (experimentally obtained from samples previously characterized by IR spectroscopy) indicates that the microcrystallinity content of unannealed smokes increases with increased annealing for up to 30 hr. The growth of forsterite microcrystallites in the initially nonstoichiometric smokes may give rise to the contemporaneous growth of the SiO polymorph tridymite and MgO; after 4 hr of annealing, these react to form enstatite. It is suggested that XRD analysis and IR spectroscopy should be conducted in conjunction with detailed analytical electron microscopy for the detection of emerging crystallinity in vapor-phase condensates.

Pathway Profiling and Tissue Modeling Using ToxCast HTS Data

EPA Science Inventory

High-throughput screening (HTS) and high-content screening (HCS) assays are providing data-rich studies to probe and profile the direct cellular effects of thousands of chemical compounds in commerce or potentially entering the environment. In vitro profiling may compare unknown ...

Comparison of ionospheric profile parameters with IRI-2012 model over Jicamarca

NASA Astrophysics Data System (ADS)

Bello, S. A.; Abdullah, M.; Hamid, N. S. A.; Reinisch, B. W.

2017-05-01

We used the hourly ionogram data obtained from Jicamarca station (12° S, 76.9° W, dip latitude: 1.0° N) an equatorial region to study the variation of the electron density profile parameters: maximum height of F2-layer (hmF2), bottomside thickness (B0) and shape (B1) parameter of F-layer. The period of study is for the year 2010 (solar minimum period).The diurnal monthly averages of these parameters are compared with the updated IRI-2012 model. The results show that hmF2 is highest during the daytime than nighttime. The variation in hmF2 was observed to modulate the thickness of the bottomside F2-layer. The observed hmF2 and B0 post-sunset peak is as result of the upward drift velocity of ionospheric plasma. We found a close agreement between IRI-CCIR hmF2 model and observed hmF2 during 0000-0700 LT while outside this period the model predictions deviate significantly with the observational values. Significant discrepancies are observed between the IRI model options for B0 and the observed B0 values. Specifically, the modeled values do not show B0 post-sunset peak. A fairly good agreement was observed between the observed B1 and IRI model options (ABT-2009 and Bill 2000) for B1.

Thermoluminescence (TL) properties and x-ray diffraction (XRD) analysis of high purity CaSO{sub 4}:Dy TL material

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

Kamarudin, Nadira; Abdullah, Wan Saffiey Wan; Dollah, Mohd Taufik

2014-09-03

This paper presents the characterization and TL properties of dysprosium (Dy) doped calcium sulfate (CaSO{sub 4}) TL material produced by co-precipitation technique with 0.5mol% concentration of dopant. The morphology of the produced TL material was studied using scanning electron microscope (SEM) and the micrograph shows that rectangular parallelepiped shaped crystal with the average of 150 μm in length were produced. The crystallinity of the produced powder was studied using x-ray powder diffraction (XRD). The XRD spectra show that the TL material produced is high purity anhydrite CaSO{sub 4} with average crystallite size of 74 nm with orthorhombic crystal system. Themore » TL behavior of produced CaSO{sub 4}:Dy was studied using a TLD reader after exposure to gamma ray by Co{sup 60} source with the doses of 1,5 and 10 Gy. The glow curve shows linear response with glow peak around 230°C which is desired development in the field of radiation dosimetry.« less

Reduced model prediction of electron temperature profiles in microtearing-dominated NSTX plasmas

NASA Astrophysics Data System (ADS)

Kaye, S. M.; Guttenfelder, W.; Bell, R.; Gerhardt, S.; Leblanc, B.; Maingi, R.

2014-10-01

A representative H-mode discharge from the National Spherical Torus Experiment (NSTX) is studied in detail as a basis for a time-evolving prediction of the electron temperature profile using an appropriate reduced transport model. The time evolution of characteristic plasma variables such as βe, νe*, the MHD α parameter and the gradient scale lengths of Te, Ti and ne were examined prior to performing linear gyrokinetic calculations to determine the fastest growing microinstability at various times and locations throughout the discharge. The inferences from the parameter evolutions and the linear stability calculations were consistent. Early in the discharge, when βe and νe* were relatively low, ballooning parity modes were dominant. As both βe and νe* increased with time, microtearing became the dominant low-kθmode, especially in the outer half of the plasma. There are instances in time and radius where other modes, at higher-kθ, may be important for driving electron transport. The Rebut-Lallia-Watkins (RLW) electron thermal diffusivity model, which is based on microtearing-induced transport, was used to predict the time-evolving electron temperature across most of the profile. The results indicate that RLW does a good job of predicting Te for times and locations where microtearing was determined to be important, but not as well when microtearing was predicted to be stable or subdominant. This work has been supported by U.S. Dept of Energy contracts DE-AC02-09CH11466.

Profiling Fast Healthcare Interoperability Resources (FHIR) of Family Health History based on the Clinical Element Models.

PubMed

Lee, Jaehoon; Hulse, Nathan C; Wood, Grant M; Oniki, Thomas A; Huff, Stanley M

2016-01-01

In this study we developed a Fast Healthcare Interoperability Resources (FHIR) profile to support exchanging a full pedigree based family health history (FHH) information across multiple systems and applications used by clinicians, patients, and researchers. We used previously developed clinical element models (CEMs) that are capable of representing the FHH information, and derived essential data elements including attributes, constraints, and value sets. We analyzed gaps between the FHH CEM elements and existing FHIR resources. Based on the analysis, we developed a profile that consists of 1) FHIR resources for essential FHH data elements, 2) extensions for additional elements that were not covered by the resources, and 3) a structured definition to integrate patient and family member information in a FHIR message. We implemented the profile using an open-source based FHIR framework and validated it using patient-entered FHH data that was captured through a locally developed FHH tool.

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

NASA Astrophysics Data System (ADS)

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

2013-12-01

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

PLASMA PROTEIN PROFILING AS A HIGH THROUGHPUT TOOL FOR CHEMICAL SCREENING USING A SMALL FISH MODEL

EPA Science Inventory

Hudson, R. Tod, Michael J. Hemmer, Kimberly A. Salinas, Sherry S. Wilkinson, James Watts, James T. Winstead, Peggy S. Harris, Amy Kirkpatrick and Calvin C. Walker. In press. Plasma Protein Profiling as a High Throughput Tool for Chemical Screening Using a Small Fish Model (Abstra...

Approximate Stokes Drift Profiles in Deep Water

NASA Astrophysics Data System (ADS)

Breivik, Øyvind; Janssen, Peter A. E. M.; Bidlot, Jean-Raymond

2014-09-01

A deep-water approximation to the Stokes drift velocity profile is explored as an alternative to the monochromatic profile. The alternative profile investigated relies on the same two quantities required for the monochromatic profile, viz the Stokes transport and the surface Stokes drift velocity. Comparisons with parametric spectra and profiles under wave spectra from the ERA-Interim reanalysis and buoy observations reveal much better agreement than the monochromatic profile even for complex sea states. That the profile gives a closer match and a more correct shear has implications for ocean circulation models since the Coriolis-Stokes force depends on the magnitude and direction of the Stokes drift profile and Langmuir turbulence parameterizations depend sensitively on the shear of the profile. The alternative profile comes at no added numerical cost compared to the monochromatic profile.

Unique relation between surface-limited evaporation and relative humidity profiles holds in both field data and climate model simulations

NASA Astrophysics Data System (ADS)

Salvucci, G.; Rigden, A. J.; Gentine, P.; Lintner, B. R.

2013-12-01

A new method was recently proposed for estimating evapotranspiration (ET) from weather station data without requiring measurements of surface limiting factors (e.g. soil moisture, leaf area, canopy conductance) [Salvucci and Gentine, 2013, PNAS, 110(16): 6287-6291]. Required measurements include diurnal air temperature, specific humidity, wind speed, net shortwave radiation, and either measured or estimated incoming longwave radiation and ground heat flux. The approach is built around the idea that the key, rate-limiting, parameter of typical ET models, the land-surface resistance to water vapor transport, can be estimated from an emergent relationship between the diurnal cycle of the relative humidity profile and ET. The emergent relation is that the vertical variance of the relative humidity profile is less than what would occur for increased or decreased evaporation rates, suggesting that land-atmosphere feedback processes minimize this variance. This relation was found to hold over a wide range of climate conditions (arid to humid) and limiting factors (soil moisture, leaf area, energy) at a set of Ameriflux field sites. While the field tests in Salvucci and Gentine (2013) supported the minimum variance hypothesis, the analysis did not reveal the mechanisms responsible for the behavior. Instead the paper suggested, heuristically, that the results were due to an equilibration of the relative humidity between the land surface and the surface layer of the boundary layer. Here we apply this method using surface meteorological fields simulated by a global climate model (GCM), and compare the predicted ET to that simulated by the climate model. Similar to the field tests, the GCM simulated ET is in agreement with that predicted by minimizing the profile relative humidity variance. A reasonable interpretation of these results is that the feedbacks responsible for the minimization of the profile relative humidity variance in nature are represented in the climate model

Automating the implementation of an equilibrium profile model for glacier reconstruction in a GIS environment

NASA Astrophysics Data System (ADS)

Frew, Craig R.; Pellitero, Ramón; Rea, Brice R.; Spagnolo, Matteo; Bakke, Jostein; Hughes, Philip D.; Ivy-Ochs, Susan; Lukas, Sven; Renssen, Hans; Ribolini, Adriano

2014-05-01

Reconstruction of glacier equilibrium line altitudes (ELAs) associated with advance stages of former ice masses is widely used as a tool for palaeoclimatic reconstruction. This requires an accurate reconstruction of palaeo-glacier surface hypsometry, based on mapping of available ice-marginal landform evidence. Classically, the approach used to define ice-surface elevations, using such evidence, follows the 'cartographic method', whereby contours are estimated based on an 'understanding' of the typical surface form of contemporary ice masses. This method introduces inherent uncertainties in the palaeoclimatic interpretation of reconstructed ELAs, especially where the upper limits of glaciation are less well constrained and/or the age of such features in relation to terminal moraine sequences is unknown. An alternative approach is to use equilibrium profile models to define ice surface elevations. Such models are tuned, generally using basal shear stress, in order to generate an ice surface that reaches 'target elevations' defined by geomorphology. In areas where there are no geomorphological constraints for the former ice surface, the reconstruction is undertaken using glaciologiaclly representative values for basal shear stress. Numerical reconstructions have been shown to produce glaciologically "realistic" ice surface geometries, allowing for more objective and robust comparative studies at local to regional scales. User-friendly tools for the calculation of equilibrium profiles are presently available in the literature. Despite this, their use is not yet widespread, perhaps owing to the difficult and time consuming nature of acquiring the necessary inputs from contour maps or digital elevation models. Here we describe a tool for automatically reconstructing palaeo-glacier surface geometry using an equilibrium profile equation implemented in ArcGIS. The only necessary inputs for this tool are 1) a suitable digital elevation model and 2) mapped outlines of the

Process monitoring and control with CHEMIN, a miniaturized CCD-based instrument for simultaneous XRD/XRF analysis

NASA Astrophysics Data System (ADS)

Vaniman, David T.; Bish, D.; Guthrie, G.; Chipera, S.; Blake, David E.; Collins, S. Andy; Elliott, S. T.; Sarrazin, P.

1999-10-01

There is a large variety of mining and manufacturing operations where process monitoring and control can benefit from on-site analysis of both chemical and mineralogic constituents. CHEMIN is a CCD-based instrument capable of both X-ray fluorescence (XRF; chemical) and X-ray diffraction (XRD; mineralogic) analysis. Monitoring and control with an instrument like CHEMIN can be applied to feedstocks, intermediate materials, and final products to optimize production. Examples include control of cement feedstock, of ore for smelting, and of minerals that pose inhalation hazards in the workplace. The combined XRD/XRF capability of CHEMIN can be used wherever a desired commodity is associated with unwanted constituents that may be similar in chemistry or structure but not both (e.g., Ca in both gypsum and feldspar, where only the gypsum is desired to make wallboard). In the mining industry, CHEMIN can determine mineral abundances on the spot and enable more economical mining by providing the means to assay when is being mined, quickly and frequently, at minimal cost. In manufacturing, CHEMIN could be used to spot-check the chemical composition and crystalline makeup of a product at any stage of production. Analysis by CHEMIN can be used as feedback in manufacturing processes where rates of heating, process temperature, mixture of feedstocks, and other variables must be adjusted in real time to correct structure and/or chemistry of the product (e.g., prevention of periclase and alkali sulfate coproduction in cement manufacture).

Local flow management/profile descent algorithm. Fuel-efficient, time-controlled profiles for the NASA TSRV airplane

NASA Technical Reports Server (NTRS)

Groce, J. L.; Izumi, K. H.; Markham, C. H.; Schwab, R. W.; Thompson, J. L.

1986-01-01

The Local Flow Management/Profile Descent (LFM/PD) algorithm designed for the NASA Transport System Research Vehicle program is described. The algorithm provides fuel-efficient altitude and airspeed profiles consistent with ATC restrictions in a time-based metering environment over a fixed ground track. The model design constraints include accommodation of both published profile descent procedures and unpublished profile descents, incorporation of fuel efficiency as a flight profile criterion, operation within the performance capabilities of the Boeing 737-100 airplane with JT8D-7 engines, and conformity to standard air traffic navigation and control procedures. Holding and path stretching capabilities are included for long delay situations.

The role of extracellular conductivity profiles in compartmental models for neurons: particulars for layer 5 pyramidal cells.

PubMed

Wang, Kai; Riera, Jorge; Enjieu-Kadji, Herve; Kawashima, Ryuta

2013-07-01

With the rapid increase in the number of technologies aimed at observing electric activity inside the brain, scientists have felt the urge to create proper links between intracellular- and extracellular-based experimental approaches. Biophysical models at both physical scales have been formalized under assumptions that impede the creation of such links. In this work, we address this issue by proposing a multicompartment model that allows the introduction of complex extracellular and intracellular resistivity profiles. This model accounts for the geometrical and electrotonic properties of any type of neuron through the combination of four devices: the integrator, the propagator, the 3D connector, and the collector. In particular, we applied this framework to model the tufted pyramidal cells of layer 5 (PCL5) in the neocortex. Our model was able to reproduce the decay and delay curves of backpropagating action potentials (APs) in this type of cell with better agreement with experimental data. We used the voltage drops of the extracellular resistances at each compartment to approximate the local field potentials generated by a PCL5 located in close proximity to linear microelectrode arrays. Based on the voltage drops produced by backpropagating APs, we were able to estimate the current multipolar moments generated by a PCL5. By adding external current sources in parallel to the extracellular resistances, we were able to create a sensitivity profile of PCL5 to electric current injections from nearby microelectrodes. In our model for PCL5, the kinetics and spatial profile of each ionic current were determined based on a literature survey, and the geometrical properties of these cells were evaluated experimentally. We concluded that the inclusion of the extracellular space in the compartmental models of neurons as an extra electrotonic medium is crucial for the accurate simulation of both the propagation of the electric potentials along the neuronal dendrites and the

Simultaneous modeling of antimycobacterial activities and ADMET profiles: a chemoinformatic approach to medicinal chemistry.

PubMed

Speck-Planche, Alejandro; Cordeiro, M N D S

2013-01-01

Mycobacteria represent a group of pathogens which cause serious diseases in mammals, including the lethal tuberculosis (Mycobacterium tuberculosis). Despite the mortality of this community-acquired and nosocomial disease mentioned above, other mycobacteria may cause similar infections, acting as dangerous opportunistic pathogens. Additionally, resistant strains belonging to Mycobacterium spp. have emerged. Thus, the design of novel antimycobacterial agents is a challenge for the scientific community. In this sense, chemoinformatics has played a vital role in drug discovery, helping to rationalize chemical synthesis, as well as the evaluation of pharmacological and ADMET (absorption, distribution, metabolism, excretion, toxicity) profiles in both medicinal and pharmaceutical chemistry. Until now, there is no in silico methodology able to assess antimycobacterial activity and ADMET properties at the same time. This work introduces the first multitasking model based on quantitative-structure biological effect relationships (mtk-QSBER) for simultaneous prediction of antimycobacterial activities and ADMET profiles of drugs/chemicals under diverse experimental conditions. The mtk-QSBER model was constructed by using a large and heterogeneous dataset of compounds (more than 34600 cases), displaying accuracies higher than 90% in both, training and prediction sets. To illustrate the utility of the present model, several molecular fragments were selected and their contributions to different biological effects were calculated and analyzed. Also, many properties of the investigational drug TMC-207 were predicted. Results confirmed that, from one side, TMC-207 can be a promising antimycobacterial drug, and on the other hand, this study demonstrates that the present mtk-QSBER model can be used for virtual screening of safer antimycobacterial agents.

Interplay among Resistance Profiles, High-Risk Clones, and Virulence in the Caenorhabditis elegans Pseudomonas aeruginosa Infection Model.

PubMed

Sánchez-Diener, Irina; Zamorano, Laura; López-Causapé, Carla; Cabot, Gabriel; Mulet, Xavier; Peña, Carmen; Del Campo, Rosa; Cantón, Rafael; Doménech-Sánchez, Antonio; Martínez-Martínez, Luis; Arcos, Susana C; Navas, Alfonso; Oliver, Antonio

2017-12-01

The increasing prevalence of nosocomial infections produced by multidrug-resistant (MDR) or extensively drug-resistant (XDR) Pseudomonas aeruginosa is frequently linked to widespread international strains designated high-risk clones. In this work, we attempted to decipher the interplay between resistance profiles, high-risk clones, and virulence, testing a large ( n = 140) collection of well-characterized P. aeruginosa isolates from different sources (bloodstream infections, nosocomial outbreaks, cystic fibrosis, and the environment) in a Caenorhabditis elegans infection model. Consistent with previous data, we documented a clear inverse correlation between antimicrobial resistance and virulence in the C. elegans model. Indeed, the lowest virulence was linked to XDR profiles, which were typically linked to defined high-risk clones. However, virulence varied broadly depending on the involved high-risk clone; it was high for sequence type 111 (ST111) and ST235 but very low for ST175. The highest virulence of ST235 could be attributed to its exoU + type III secretion system (TTSS) genotype, which was found to be linked with higher virulence in our C. elegans model. Other markers, such as motility or pigment production, were not essential for virulence in the C. elegans model but seemed to be related with the higher values of the statistical normalized data. In contrast to ST235, the ST175 high-risk clone, which is widespread in Spain and France, seems to be associated with a particularly low virulence in the C. elegans model. Moreover, the previously described G154R AmpR mutation, prevalent in ST175, was found to contribute to the reduced virulence, although it was not the only factor involved. Altogether, our results provide a major step forward for understanding the interplay between P. aeruginosa resistance profiles, high-risk clones, and virulence. Copyright © 2017 American Society for Microbiology.

Interplay among Resistance Profiles, High-Risk Clones, and Virulence in the Caenorhabditis elegans Pseudomonas aeruginosa Infection Model

PubMed Central

Sánchez-Diener, Irina; López-Causapé, Carla; Mulet, Xavier; Cantón, Rafael; Doménech-Sánchez, Antonio; Martínez-Martínez, Luis; Arcos, Susana C.; Navas, Alfonso

2017-01-01

ABSTRACT The increasing prevalence of nosocomial infections produced by multidrug-resistant (MDR) or extensively drug-resistant (XDR) Pseudomonas aeruginosa is frequently linked to widespread international strains designated high-risk clones. In this work, we attempted to decipher the interplay between resistance profiles, high-risk clones, and virulence, testing a large (n = 140) collection of well-characterized P. aeruginosa isolates from different sources (bloodstream infections, nosocomial outbreaks, cystic fibrosis, and the environment) in a Caenorhabditis elegans infection model. Consistent with previous data, we documented a clear inverse correlation between antimicrobial resistance and virulence in the C. elegans model. Indeed, the lowest virulence was linked to XDR profiles, which were typically linked to defined high-risk clones. However, virulence varied broadly depending on the involved high-risk clone; it was high for sequence type 111 (ST111) and ST235 but very low for ST175. The highest virulence of ST235 could be attributed to its exoU+ type III secretion system (TTSS) genotype, which was found to be linked with higher virulence in our C. elegans model. Other markers, such as motility or pigment production, were not essential for virulence in the C. elegans model but seemed to be related with the higher values of the statistical normalized data. In contrast to ST235, the ST175 high-risk clone, which is widespread in Spain and France, seems to be associated with a particularly low virulence in the C. elegans model. Moreover, the previously described G154R AmpR mutation, prevalent in ST175, was found to contribute to the reduced virulence, although it was not the only factor involved. Altogether, our results provide a major step forward for understanding the interplay between P. aeruginosa resistance profiles, high-risk clones, and virulence. PMID:28923877

Model Predictive Control of the Current Profile and the Internal Energy of DIII-D Plasmas

NASA Astrophysics Data System (ADS)

Lauret, M.; Wehner, W.; Schuster, E.

2015-11-01

For efficient and stable operation of tokamak plasmas it is important that the current density profile and the internal energy are jointly controlled by using the available heating and current-drive (H&CD) sources. The proposed approach is a version of nonlinear model predictive control in which the input set is restricted in size by the possible combinations of the H&CD on/off states. The controller uses real-time predictions over a receding-time horizon of both the current density profile (nonlinear partial differential equation) and the internal energy (nonlinear ordinary differential equation) evolutions. At every time instant the effect of every possible combination of H&CD sources on the current profile and internal energy is evaluated over the chosen time horizon. The combination that leads to the best result, which is assessed by a user-defined cost function, is then applied up until the next time instant. Simulations results based on a control-oriented transport code illustrate the effectiveness of the proposed control method. Supported by the US DOE under DE-FC02-04ER54698 & DE-SC0010661.

Extended generation profile - E.B.I.C model application in the case of a PN junction

NASA Astrophysics Data System (ADS)

Guermazi, S.; Toureille, A.; Grill, C.; El Jani, B.

2000-01-01

We have developed a model for the calculation of the induced current due to an electron beam with an extended generation profile. Added to the absorbed and diffuse electrons in the depth distribution, the generation profile takes into account the lateral diffusion. The analytical expression of the electron beam induced current (EBIC) is obtained by solving the continuity equation in permanent regime by the Green function method. The induced current profile, obtained in the case of a ternary component (Ga{0.7}Al{0.3}As:N^+/Ga{0.7}Al{0.3}As:P) sulfur doped and prepared by organometallic compounds phase vapor epitaxy method, is compared to the theoretical profiles whose analytical expressions are given by Van Roosbroeck and Bresse. The experimental current profile, measured by S.E.M provided us to calculate the diffusion length of the minority carriers: L_p=1 μm in the N region and L_n=1.80 μm in the P region of the ternaire component. The theoretical curve obtained from the proposed model is in good agreement with the experimental one for a surface recombination velocity of 10^6 cm s^{-1}. Our results are found to be consistent compared to those obtained by other experimental techniques using the same samples. Nous avons développé un modèle de calcul du courant induit par un faisceau d'électrons avec un profil de génération élargi. Le profil de génération prend en compte la répartition spatiale de la diffusion et de l'absorption des électrons. L'expression analytique du courant induit (E.B.I.C) est déterminée par résolution de l'équation de continuité en régime permanent par la méthode des fonctions de Green. Le profil de courant induit obtenu dans le cas d'une jonction PN (Ga{0,7}Al{0,3}As:N^+/Ga{0,7}Al{0,3}As:P) dopée par le soufre et préparée par épitaxie à phase vapeur organo-métallique, est comparé au profil de courant théorique dont l'expression analytique est explicitée par Van Roosbroeck et Bresse. Le profil expérimental de

Combining µXANES and µXRD mapping to analyse the heterogeneity in calcium carbonate granules excreted by the earthworm Lumbricus terrestris

PubMed Central

Brinza, Loredana; Schofield, Paul F.; Hodson, Mark E.; Weller, Sophie; Ignatyev, Konstantin; Geraki, Kalotina; Quinn, Paul D.; Mosselmans, J. Frederick W.

2014-01-01

The use of fluorescence full spectral micro-X-ray absorption near-edge structure (µXANES) mapping is becoming more widespread in the hard energy regime. This experimental method using the Ca K-edge combined with micro-X-ray diffraction (µXRD) mapping of the same sample has been enabled on beamline I18 at Diamond Light Source. This combined approach has been used to probe both long- and short-range order in calcium carbonate granules produced by the earthworm Lumbricus terrestris. In granules produced by earthworms cultured in a control artificial soil, calcite and vaterite are observed in the granules. However, granules produced by earthworms cultivated in the same artificial soil amended with 500 p.p.m. Mg also contain an aragonite. The two techniques, µXRD and µXANES, probe different sample volumes but there is good agreement in the phase maps produced. PMID:24365942

A simplified method for power-law modelling of metabolic pathways from time-course data and steady-state flux profiles.

PubMed

Kitayama, Tomoya; Kinoshita, Ayako; Sugimoto, Masahiro; Nakayama, Yoichi; Tomita, Masaru

2006-07-17

In order to improve understanding of metabolic systems there have been attempts to construct S-system models from time courses. Conventionally, non-linear curve-fitting algorithms have been used for modelling, because of the non-linear properties of parameter estimation from time series. However, the huge iterative calculations required have hindered the development of large-scale metabolic pathway models. To solve this problem we propose a novel method involving power-law modelling of metabolic pathways from the Jacobian of the targeted system and the steady-state flux profiles by linearization of S-systems. The results of two case studies modelling a straight and a branched pathway, respectively, showed that our method reduced the number of unknown parameters needing to be estimated. The time-courses simulated by conventional kinetic models and those described by our method behaved similarly under a wide range of perturbations of metabolite concentrations. The proposed method reduces calculation complexity and facilitates the construction of large-scale S-system models of metabolic pathways, realizing a practical application of reverse engineering of dynamic simulation models from the Jacobian of the targeted system and steady-state flux profiles.

How important is the choice of the nutrient profile model used to regulate broadcast advertising of foods to children? A comparison using a targeted data set.

PubMed

Scarborough, P; Payne, C; Agu, C G; Kaur, A; Mizdrak, A; Rayner, M; Halford, J C G; Boyland, E

2013-08-01

The World Health Assembly recommends that children's exposure to marketing of unhealthy foods should be reduced. Nutrient profile models have been developed that define 'unhealthy' to support regulation of broadcast advertising of foods to children. The level of agreement between these models is not clear. The objective of this study was to measure the agreement between eight nutrient profile models that have been proposed for the regulation of marketing to children over (a) how many and (b) what kind of foods should be permitted to be advertised during television viewed by children. A representative data set of commercials for foods broadcast during television viewed by children in the UK was collected in 2008. The data set consisted of 11,763 commercials for 336 different products or brands. This data set was supplemented with nutrition data from company web sites, food packaging and a food composition table, and the nutrient profile models were applied. The percentage of commercials that would be permitted by the different nutrient profile models ranged from 2.1% (0.4%, 3.7%) to 47.4% (42.1%, 52.6%). Half of the pairwise comparisons between models yielded kappa statistics less than 0.2, indicating that there was little agreement between models. Policy makers considering the regulation of broadcast advertising to children should carefully consider the choice of nutrient profile model to support the regulation, as this choice will have considerable influence on the outcome of the regulation.

Effect of H2O on the morphological changes of KNO3 formed on K2O/Al2O3 NOx storage materials: Fourier transform infra-red (FTIR) and time-resolved x-ray diffraction (TR-XRD) studies

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

Kim, Do Heui; Mudiyanselage, Kumudu K.; Szanyi, Janos

Based on combined FTIR and XRD studies, we report here that H2O induces a morphological change of KNO3 species formed on model K2O/Al2O3 NOx storage-reduction catalysts. Specifically as evidenced by FTIR, the contact of H2O with NO2 pre-adsorbed on K2O/Al2O3 promotes the transformation from bidentate (surface-like) KNO3 species to ionic (bulk-like) ones irrespective of K loadings. Once H2O is removed from the sample, a reversible transformation into bidentate KNO3 is observed, demonstrating a significant dependence of H2O on such morphological changes. TR-XRD results show the formation of two different types of bulk KNO3 phases (orthorhomobic and rhombohedral) in an as-impregnatedmore » sample. Once H2O begins to desorb above 400 K, the former is transformed into the latter, resulting in the existence of only the rhombohedral KNO3 phase. On the basis of consistent FTIR and TR-XRD results, we propose a model for the morphological changes of KNO3 species with respect to NO2 adsorption/desorption, H2O and/or heat treatments. Compared with the BaO/Al2O3 system, K2O/Al2O3 shows some similarities with respect to the formation of bulk nitrates upon H2O contact. However, there are significant differences that originate from the lower melting temperature of KNO3 relative to Ba(NO3)2.« less

Synthesis of metal complexes involving Schiff base ligand with methylenedioxy moiety: spectral, thermal, XRD and antimicrobial studies.

PubMed

Sundararajan, M L; Jeyakumar, T; Anandakumaran, J; Karpanai Selvan, B

2014-10-15

Metal complexes of Zn(II), Cd(II), Ni(II), Cu(II), Fe(III), Co(II), Mn(II) Hg(II), and Ag(I) have been synthesized from Schiff base ligand, prepared by the condensation of 3,4-(methylenedioxy)aniline and 5-bromo salicylaldehyde. All the compounds have been characterized by using elemental analysis, molar conductance, FT-IR, UV-Vis, (1)H NMR, (13)C NMR, mass spectra, powder XRD and thermal analysis (TG/DTA) technique. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). The FT-IR, (1)H NMR, (13)C NMR and UV-Vis spectral data suggest that the ligand coordinate to the metal atom by imino nitrogen and phenolic oxygen as bidentate manner. Mass spectral data further support the molecular mass of the compounds and their structure. Powder XRD indicates the crystalline state and morphology of the ligand and its metal complexes. The thermal behaviors of the complexes prove the presence of lattice as well as coordinated water molecules in the complexes. Melting point supports the thermal stability of all the compounds. The in vitro antimicrobial effects of the synthesized compounds were tested against five bacterial and three fungal species by well diffusion method. Antioxidant activities have also been performed for all the compounds. Metal complexes show more biological activity than the Schiff base. Copyright © 2014 Elsevier B.V. All rights reserved.

A Bayesian approach to microwave precipitation profile retrieval

NASA Technical Reports Server (NTRS)

Evans, K. Franklin; Turk, Joseph; Wong, Takmeng; Stephens, Graeme L.

1995-01-01

A multichannel passive microwave precipitation retrieval algorithm is developed. Bayes theorem is used to combine statistical information from numerical cloud models with forward radiative transfer modeling. A multivariate lognormal prior probability distribution contains the covariance information about hydrometeor distribution that resolves the nonuniqueness inherent in the inversion process. Hydrometeor profiles are retrieved by maximizing the posterior probability density for each vector of observations. The hydrometeor profile retrieval method is tested with data from the Advanced Microwave Precipitation Radiometer (10, 19, 37, and 85 GHz) of convection over ocean and land in Florida. The CP-2 multiparameter radar data are used to verify the retrieved profiles. The results show that the method can retrieve approximate hydrometeor profiles, with larger errors over land than water. There is considerably greater accuracy in the retrieval of integrated hydrometeor contents than of profiles. Many of the retrieval errors are traced to problems with the cloud model microphysical information, and future improvements to the algorithm are suggested.

AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models.

PubMed

Poitevin, Frédéric; Orland, Henri; Doniach, Sebastian; Koehl, Patrice; Delarue, Marc

2011-07-01

Small Angle X-ray Scattering (SAXS) techniques are becoming more and more useful for structural biologists and biochemists, thanks to better access to dedicated synchrotron beamlines, better detectors and the relative easiness of sample preparation. The ability to compute the theoretical SAXS profile of a given structural model, and to compare this profile with the measured scattering intensity, yields crucial structural informations about the macromolecule under study and/or its complexes in solution. An important contribution to the profile, besides the macromolecule itself and its solvent-excluded volume, is the excess density due to the hydration layer. AquaSAXS takes advantage of recently developed methods, such as AquaSol, that give the equilibrium solvent density map around macromolecules, to compute an accurate SAXS/WAXS profile of a given structure and to compare it to the experimental one. Here, we describe the interface architecture and capabilities of the AquaSAXS web server (http://lorentz.dynstr.pasteur.fr/aquasaxs.php).

Crystal imperfection studies of pure and silicon substituted hydroxyapatite using Raman and XRD.

PubMed

Zou, Shuo; Huang, Jie; Best, Serena; Bonfield, William

2005-12-01

Hydroxyapatite (HA) is important in biomedical applications because of its chemical similarity to the mineral content of bone and its consequent bioactivity. Silicon substitution into the hydroxyapatite crystal lattice was found to enhance its bioactivity both in vitro and in vivo [1, 2]. However, the mechanism for the enhancement is still not well understood. In this paper, the crystal imperfections introduced by silicon substitution were studied using XRD and Raman spectroscopy. It was found that silicon substitution did not introduce microstrain, but deceased the crystal size in the hk0 direction. Three new vibration modes and peak broadening were observed in Raman spectra following silicon incorporation. The imperfections introduced by silicon substitution may play a role in enhancing bioactivity. A phenomenological relationship between the width of the PO4 v1 peak and crystal size was established.

Optimization of Profile and Material of Abrasive Water Jet Nozzle

NASA Astrophysics Data System (ADS)

Anand Bala Selwin, K. P.; Ramachandran, S.

2017-05-01

The objective of this work is to study the behaviour of the abrasive water jet nozzle with different profiles and materials. Taguchi-Grey relational analysis optimization technique is used to optimize the value with different material and different profiles. Initially the 3D models of the nozzle are modelled with different profiles by changing the tapered inlet angle of the nozzle. The different profile models are analysed with different materials and the results are optimized. The optimized results would give the better result taking wear and machining behaviour of the nozzle.

Integrating Wind Profiling Radars and Radiosonde Observations with Model Point Data to Develop a Decision Support Tool to Assess Upper-Level Winds for Space Launch

NASA Technical Reports Server (NTRS)

Bauman, William H., III; Flinn, Clay

2013-01-01

On the day of launch, the 45th Weather Squadron (45 WS) Launch Weather Officers (LWOs) monitor the upper-level winds for their launch customers. During launch operations, the payload/launch team sometimes asks the LWOs if they expect the upper-level winds to change during the countdown. The LWOs used numerical weather prediction model point forecasts to provide the information, but did not have the capability to quickly retrieve or adequately display the upper-level observations and compare them directly in the same display to the model point forecasts to help them determine which model performed the best. The LWOs requested the Applied Meteorology Unit (AMU) develop a graphical user interface (GUI) that will plot upper-level wind speed and direction observations from the Cape Canaveral Air Force Station (CCAFS) Automated Meteorological Profiling System (AMPS) rawinsondes with point forecast wind profiles from the National Centers for Environmental Prediction (NCEP) North American Mesoscale (NAM), Rapid Refresh (RAP) and Global Forecast System (GFS) models to assess the performance of these models. The AMU suggested adding observations from the NASA 50 MHz wind profiler and one of the US Air Force 915 MHz wind profilers, both located near the Kennedy Space Center (KSC) Shuttle Landing Facility, to supplement the AMPS observations with more frequent upper-level profiles. Figure 1 shows a map of KSC/CCAFS with the locations of the observation sites and the model point forecasts.

APTES-modified mesoporous silicas as the carriers for poorly water-soluble drug. Modeling of diflunisal adsorption and release

NASA Astrophysics Data System (ADS)

Geszke-Moritz, Małgorzata; Moritz, Michał

2016-04-01

Four mesoporous siliceous materials such as SBA-16, SBA-15, PHTS and MCF functionalized with (3-aminopropyl)triethoxysilane were successfully prepared and applied as the carriers for poorly water-soluble drug diflunisal. Several techniques including nitrogen sorption analysis, XRD, TEM, FTIR and thermogravimetric analysis were employed to characterize mesoporous matrices. Adsorption isotherms were analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models. In order to find the best-fit isotherm for each model, both linear and nonlinear regressions were carried out. The equilibrium data were best fitted by the Langmuir isotherm model revealing maximum adsorption capacity of 217.4 mg/g for aminopropyl group-modified SBA-15. The negative values of Gibbs free energy change indicated that the adsorption of diflunisal is a spontaneous process. Weibull release model was employed to describe the dissolution profile of diflunisal. At pH 4.5 all prepared mesoporous matrices exhibited the improvement of drug dissolution kinetics as compared to the dissolution rate of pure diflunisal.

Use of an ecologically relevant modelling approach to improve remote sensing-based schistosomiasis risk profiling.

PubMed

Walz, Yvonne; Wegmann, Martin; Leutner, Benjamin; Dech, Stefan; Vounatsou, Penelope; N'Goran, Eliézer K; Raso, Giovanna; Utzinger, Jürg

2015-11-30

Schistosomiasis is a widespread water-based disease that puts close to 800 million people at risk of infection with more than 250 million infected, mainly in sub-Saharan Africa. Transmission is governed by the spatial distribution of specific freshwater snails that act as intermediate hosts and the frequency, duration and extent of human bodies exposed to infested water sources during human water contact. Remote sensing data have been utilized for spatially explicit risk profiling of schistosomiasis. Since schistosomiasis risk profiling based on remote sensing data inherits a conceptual drawback if school-based disease prevalence data are directly related to the remote sensing measurements extracted at the location of the school, because the disease transmission usually does not exactly occur at the school, we took the local environment around the schools into account by explicitly linking ecologically relevant environmental information of potential disease transmission sites to survey measurements of disease prevalence. Our models were validated at two sites with different landscapes in Côte d'Ivoire using high- and moderate-resolution remote sensing data based on random forest and partial least squares regression. We found that the ecologically relevant modelling approach explained up to 70% of the variation in Schistosoma infection prevalence and performed better compared to a purely pixel-based modelling approach. Furthermore, our study showed that model performance increased as a function of enlarging the school catchment area, confirming the hypothesis that suitable environments for schistosomiasis transmission rarely occur at the location of survey measurements.

Predicting the oral pharmacokinetic profiles of multiple-unit (pellet) dosage forms using a modeling and simulation approach coupled with biorelevant dissolution testing: case example diclofenac sodium.

PubMed

Kambayashi, Atsushi; Blume, Henning; Dressman, Jennifer B

2014-07-01

The objective of this research was to characterize the dissolution profile of a poorly soluble drug, diclofenac, from a commercially available multiple-unit enteric coated dosage form, Diclo-Puren® capsules, and to develop a predictive model for its oral pharmacokinetic profile. The paddle method was used to obtain the dissolution profiles of this dosage form in biorelevant media, with the exposure to simulated gastric conditions being varied in order to simulate the gastric emptying behavior of pellets. A modified Noyes-Whitney theory was subsequently fitted to the dissolution data. A physiologically-based pharmacokinetic (PBPK) model for multiple-unit dosage forms was designed using STELLA® software and coupled with the biorelevant dissolution profiles in order to simulate the plasma concentration profiles of diclofenac from Diclo-Puren® capsule in both the fasted and fed state in humans. Gastric emptying kinetics relevant to multiple-units pellets were incorporated into the PBPK model by setting up a virtual patient population to account for physiological variations in emptying kinetics. Using in vitro biorelevant dissolution coupled with in silico PBPK modeling and simulation it was possible to predict the plasma profile of this multiple-unit formulation of diclofenac after oral administration in both the fasted and fed state. This approach might be useful to predict variability in the plasma profiles for other drugs housed in multiple-unit dosage forms. Copyright © 2014 Elsevier B.V. All rights reserved.

A Fundamental Test for Galaxy Formation Models: Matching the Lyman-α Absorption Profiles of Galactic Halos Over Three Decades in Distance

NASA Astrophysics Data System (ADS)

Sorini, Daniele; Oñorbe, José; Hennawi, Joseph F.; Lukić, Zarija

2018-06-01

Galaxy formation depends critically on the physical state of gas in the circumgalactic medium (CGM) and its interface with the intergalactic medium (IGM), determined by the complex interplay between inflow from the IGM and outflows from supernovae and/or AGN feedback. The average Lyα absorption profile around galactic halos represents a powerful tool to probe their gaseous environments. We compare predictions from Illustris and Nyx hydrodynamical simulations with the observed absorption around foreground quasars, damped Lyα systems, and Lyman-break galaxies. We show how large-scale BOSS and small-scale quasar pair measurements can be combined to precisely constrain the absorption profile over three decades in transverse distance 20 {kpc}≲ b≲ 20 {Mpc}. Far from galaxies, ≳ 2 {Mpc}, the simulations converge to the same profile and provide a reasonable match to the observations. This asymptotic agreement arises because the ΛCDM model successfully describes the ambient IGM and represents a critical advantage of studying the mean absorption profile. However, significant differences between the simulations, and between simulations and observations, are present on scales 20 {kpc}≲ b≲ 2 {Mpc}, illustrating the challenges of accurately modeling and resolving galaxy formation physics. It is noteworthy that these differences are observed as far out as ∼ 2 {Mpc}, indicating that the “sphere of influence” of galaxies could extend to approximately ∼7 times the halo virial radius. Current observations are very precise on these scales and can thus strongly discriminate between different galaxy formation models. We demonstrate that the Lyα absorption profile is primarily sensitive to the underlying temperature–density relationship of diffuse gas around galaxies, and argue that it thus provides a fundamental test of galaxy formation models.

Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization

PubMed Central

Huang, Ruili; Xia, Menghang; Sakamuru, Srilatha; Zhao, Jinghua; Shahane, Sampada A.; Attene-Ramos, Matias; Zhao, Tongan; Austin, Christopher P.; Simeonov, Anton

2016-01-01

Target-specific, mechanism-oriented in vitro assays post a promising alternative to traditional animal toxicology studies. Here we report the first comprehensive analysis of the Tox21 effort, a large-scale in vitro toxicity screening of chemicals. We test ∼10,000 chemicals in triplicates at 15 concentrations against a panel of nuclear receptor and stress response pathway assays, producing more than 50 million data points. Compound clustering by structure similarity and activity profile similarity across the assays reveals structure–activity relationships that are useful for the generation of mechanistic hypotheses. We apply structural information and activity data to build predictive models for 72 in vivo toxicity end points using a cluster-based approach. Models based on in vitro assay data perform better in predicting human toxicity end points than animal toxicity, while a combination of structural and activity data results in better models than using structure or activity data alone. Our results suggest that in vitro activity profiles can be applied as signatures of compound mechanism of toxicity and used in prioritization for more in-depth toxicological testing. PMID:26811972

An Analysis of the Relationship between the Learning Process and Learning Motivation Profiles of Japanese Pharmacy Students Using Structural Equation Modeling.

PubMed

Yamamura, Shigeo; Takehira, Rieko

2018-04-23

Pharmacy students in Japan have to maintain strong motivation to learn for six years during their education. The authors explored the students’ learning structure. All pharmacy students in their 4th through to 6th year at Josai International University participated in the survey. The revised two factor study process questionnaire and science motivation questionnaire II were used to assess their learning process and learning motivation profiles, respectively. Structural equation modeling (SEM) was used to examine a causal relationship between the latent variables in the learning process and those in the learning motivation profile. The learning structure was modeled on the idea that the learning process affects the learning motivation profile of respondents. In the multi-group SEM, the estimated mean of the deep learning to learning motivation profile increased just after their clinical clerkship for 6th year students. This indicated that the clinical experience benefited students’ deep learning, which is probably because the experience of meeting with real patients encourages meaningful learning in pharmacy studies.

The Crystal Structure of Micro- and Nanopowders of ZnS Studied by EPR of Mn2+ and XRD.

PubMed

Nosenko, Valentyna; Vorona, Igor; Grachev, Valentyn; Ishchenko, Stanislav; Baran, Nikolai; Becherikov, Yurii; Zhuk, Anton; Polishchuk, Yuliya; Kladko, Vasyl; Selishchev, Alexander

2016-12-01

The crystal structure of micro- and nanopowders of ZnS doped with different impurities was analyzed by the electron paramagnetic resonance (EPR) of Mn 2+ and XRD methods. The powders of ZnS:Cu, ZnS:Mn, ZnS:Co, and ZnS:Eu with the particle sizes of 5-7 μm, 50-200 nm, 7-10 μm, and 5-7 nm, respectively, were studied. Manganese was incorporated in the crystal lattice of all the samples as uncontrolled impurity or by doping. The Mn 2+ ions were used as EPR structural probes. It is found that the ZnS:Cu has the cubic structure, the ZnS:Mn has the hexagonal structure with a rhombic distortion, the ZnS:Co is the mixture of the cubic and hexagonal phases in the ratio of 1:10, and the ZnS:Eu has the cubic structure and a distorted cubic structure with stacking defects in the ratio 3:1. The EPR technique is shown to be a powerful tool in the determination of the crystal structure for mixed-polytype ZnS powders and powders with small nanoparticles. It allows observation of the stacking defects, which is revealed in the XRD spectra.

Identifying Chinese Microblog Users With High Suicide Probability Using Internet-Based Profile and Linguistic Features: Classification Model.

PubMed

Guan, Li; Hao, Bibo; Cheng, Qijin; Yip, Paul Sf; Zhu, Tingshao

2015-01-01

Traditional offline assessment of suicide probability is time consuming and difficult in convincing at-risk individuals to participate. Identifying individuals with high suicide probability through online social media has an advantage in its efficiency and potential to reach out to hidden individuals, yet little research has been focused on this specific field. The objective of this study was to apply two classification models, Simple Logistic Regression (SLR) and Random Forest (RF), to examine the feasibility and effectiveness of identifying high suicide possibility microblog users in China through profile and linguistic features extracted from Internet-based data. There were nine hundred and nine Chinese microblog users that completed an Internet survey, and those scoring one SD above the mean of the total Suicide Probability Scale (SPS) score, as well as one SD above the mean in each of the four subscale scores in the participant sample were labeled as high-risk individuals, respectively. Profile and linguistic features were fed into two machine learning algorithms (SLR and RF) to train the model that aims to identify high-risk individuals in general suicide probability and in its four dimensions. Models were trained and then tested by 5-fold cross validation; in which both training set and test set were generated under the stratified random sampling rule from the whole sample. There were three classic performance metrics (Precision, Recall, F1 measure) and a specifically defined metric "Screening Efficiency" that were adopted to evaluate model effectiveness. Classification performance was generally matched between SLR and RF. Given the best performance of the classification models, we were able to retrieve over 70% of the labeled high-risk individuals in overall suicide probability as well as in the four dimensions. Screening Efficiency of most models varied from 1/4 to 1/2. Precision of the models was generally below 30%. Individuals in China with high suicide

Velocity profiles and plug zones in a free surface viscoplastic flow : experimental study and comparison to shallow flow models

NASA Astrophysics Data System (ADS)

Freydier, Perrine; Chambon, Guillaume; Naaim, Mohamed

2016-04-01

Rheological studies concerning natural muddy debris flows have shown that these materials can be modelled as non-Newtonian viscoplastic fluids. These complex flows are generally represented using models based on a depth-integrated approach (Shallow Water) that take into account closure terms depending on the shape of the velocity profile. But to date, there is poor knowledge about the shape of velocity profiles and the position of the interface between sheared and unsheared regions (plug) in these flows, especially in the vicinity of the front. In this research, the internal dynamics of a free-surface viscoplastic flow down an inclined channel is investigated and compared to the predictions of a Shallow Water model based on the lubrication approximation. Experiments are conducted in an inclined channel whose bottom is constituted by an upward-moving conveyor belt with controlled velocity, which allows generating and observing gravity-driven stationary surges in the laboratory frame. Carbopol microgel has been used as a homogeneous and transparent viscoplastic fluid. High-resolution measurements of velocity field is performed through optical velocimetry techniques both in the uniform zone and within the front zone where flow thickness is variable and where recirculation takes place. Specific analyses have been developed to determine the position of the plug within the surge. Flow height is accessible through image processing and ultrasonic sensors. Sufficiently far from the front, experimental results are shown to be in good agreement with theoretical predictions regarding the velocity profiles and the flow height evolution. In the vicinity of the front, however, analysis of measured velocity profiles shows an evolution of the plug different from that predicted by lubrication approximation. Accordingly, the free surface shape also deviates from the predictions of the classical Shallow Water model. These results highlight the necessity to take into account higher

Controlled meteorological (CMET) balloon profiling of the Arctic atmospheric boundary layer around Spitsbergen compared to a mesoscale model

NASA Astrophysics Data System (ADS)

Roberts, T. J.; Dütsch, M.; Hole, L. R.; Voss, P. B.

2015-10-01

Observations from CMET (Controlled Meteorological) balloons are analyzed in combination with mesoscale model simulations to provide insights into tropospheric meteorological conditions (temperature, humidity, wind-speed) around Svalbard, European High Arctic. Five Controlled Meteorological (CMET) balloons were launched from Ny-Ålesund in Svalbard over 5-12 May 2011, and measured vertical atmospheric profiles above Spitsbergen Island and over coastal areas to both the east and west. One notable CMET flight achieved a suite of 18 continuous soundings that probed the Arctic marine boundary layer over a period of more than 10 h. The CMET profiles are compared to simulations using the Weather Research and Forecasting (WRF) model using nested grids and three different boundary layer schemes. Variability between the three model schemes was typically smaller than the discrepancies between the model runs and the observations. Over Spitsbergen, the CMET flights identified temperature inversions and low-level jets (LLJ) that were not captured by the model. Nevertheless, the model largely reproduced time-series obtained from the Ny-Ålesund meteorological station, with exception of surface winds during the LLJ. Over sea-ice east of Svalbard the model underestimated potential temperature and overestimated wind-speed compared to the CMET observations. This is most likely due to the full sea-ice coverage assumed by the model, and consequent underestimation of ocean-atmosphere exchange in the presence of leads or fractional coverage. The suite of continuous CMET soundings over a sea-ice free region to the northwest of Svalbard are analysed spatially and temporally, and compared to the model. The observed along-flight daytime increase in relative humidity is interpreted in terms of the diurnal cycle, and in the context of marine and terrestrial air-mass influences. Analysis of the balloon trajectory during the CMET soundings identifies strong wind-shear, with a low-level channeled

Scaffolding in a Medicine Education Intervention for Student Teachers Based on the PROFILES Three Stage Model

ERIC Educational Resources Information Center

Kärkkäinen, Sirpa; Kukkonen, Jari; Keinonen, Tuula

2014-01-01

This paper focuses on describing the effects of scaffolding on the student teachers' learning process. The scaffolding is based on using information and communication technology in the PROFILES Three Stage Model; Scenario, Inquiry and Decision-making Stages. Six hours of medicine education intervention is conducted as a part of the student…

Sensitivity analysis of the space shuttle to ascent wind profiles

NASA Technical Reports Server (NTRS)

Smith, O. E.; Austin, L. D., Jr.

1982-01-01

A parametric sensitivity analysis of the space shuttle ascent flight to the wind profile is presented. Engineering systems parameters are obtained by flight simulations using wind profile models and samples of detailed (Jimsphere) wind profile measurements. The wind models used are the synthetic vector wind model, with and without the design gust, and a model of the vector wind change with respect to time. From these comparison analyses an insight is gained on the contribution of winds to ascent subsystems flight parameters.

User Profiles in Organizational Environments

ERIC Educational Resources Information Center

Teixeira, Claudio; Pinto, Joaquim Sousa; Martins, Joaquim Arnaldo

2008-01-01

Purpose: The aim of this paper is to describe a project to provide an online web portal that can be used as a front-end for all university users--students, teachers, staff--and services, library, administration, e-learning, and e-mail. Design/methodology/approach: The profile model proposed is mainly inheritable, defined by profile components with…

Use of tourmaline as a potential petrogenetic indicator in the determination of host magma: CRS, XRD and PED-XRF methods

NASA Astrophysics Data System (ADS)

Gullu, Bahattin; Kadioglu, Yusuf Kagan

2017-08-01

Tourmaline defines a group of complex borosilicate forms as accessory mineral in igneous and metamorphic rocks and they act an important role in the interpretation of the chemical composition changes of the composition of the host fluid of the magma. The variety of tourmaline can be identified by using optical microscopy, X-Ray Diffraction (XRD) and by determining its chemical composition through Polarized Energy Dispersive X-Ray Fluorescence (PED-XRF) methods. However, microscopic investigations and XRD analyses are not quite adequate for detailed determination of tourmaline sub-groups. In addition, the use of chemical composition of tourmaline as a strict indicator of geochemical processes might be a misleading method. In this study, variable tourmaline crystals were collected from three different pegmatitic occurrences in Behrekdag, Yozgat and Karakaya granitic bodies of Central Anatolia to identify their chemical properties through Confocal Raman Spectroscopy (CRS), PED-XRF and XRD analyses. The confocal Raman spectrometry of collected tourmalines from the Behrekdag, Yozgat and Karakaya granites are in the compositions of schorl, schorl and elbaite respectively. The dominant compositional groups of these tourmalines are in the form of schorl. Raman shift values of tourmalines revealed four bands centered at almost 1050, 750, 400 and 300 cm- 1. The first group of the band arises from SiO stretching, the second from Bsbnd O stretching and the other two belong to bending modes of Osbnd Bsbnd O and Bsbnd Osbnd Al with symmetrical deformation of Sisbnd Osbnd Si. The strongest spectra near 360 cm- 1 should belong to the bonding of Alsbnd O. As a result, the confocal Raman studies are more sensitive for identification of tourmaline subgroup compositions and have a quite important in the explaining source of the magma.

Use of tourmaline as a potential petrogenetic indicator in the determination of host magma: CRS, XRD and PED-XRF methods.

PubMed

Gullu, Bahattin; Kadioglu, Yusuf Kagan

2017-08-05

Tourmaline defines a group of complex borosilicate forms as accessory mineral in igneous and metamorphic rocks and they act an important role in the interpretation of the chemical composition changes of the composition of the host fluid of the magma. The variety of tourmaline can be identified by using optical microscopy, X-Ray Diffraction (XRD) and by determining its chemical composition through Polarized Energy Dispersive X-Ray Fluorescence (PED-XRF) methods. However, microscopic investigations and XRD analyses are not quite adequate for detailed determination of tourmaline sub-groups. In addition, the use of chemical composition of tourmaline as a strict indicator of geochemical processes might be a misleading method. In this study, variable tourmaline crystals were collected from three different pegmatitic occurrences in Behrekdag, Yozgat and Karakaya granitic bodies of Central Anatolia to identify their chemical properties through Confocal Raman Spectroscopy (CRS), PED-XRF and XRD analyses. The confocal Raman spectrometry of collected tourmalines from the Behrekdag, Yozgat and Karakaya granites are in the compositions of schorl, schorl and elbaite respectively. The dominant compositional groups of these tourmalines are in the form of schorl. Raman shift values of tourmalines revealed four bands centered at almost 1050, 750, 400 and 300cm -1 . The first group of the band arises from SiO stretching, the second from BO stretching and the other two belong to bending modes of OBO and BOAl with symmetrical deformation of SiOSi. The strongest spectra near 360cm -1 should belong to the bonding of AlO. As a result, the confocal Raman studies are more sensitive for identification of tourmaline subgroup compositions and have a quite important in the explaining source of the magma. Copyright © 2017 Elsevier B.V. All rights reserved.

Magnetic composites from minerals: study of the iron phases in clay and diatomite using Mössbauer spectroscopy, magnetic measurements and XRD

NASA Astrophysics Data System (ADS)

Cabrera, M.; Maciel, J. C.; Quispe-Marcatoma, J.; Pandey, B.; Neri, D. F. M.; Soria, F.; Baggio-Saitovitch, E.; de Carvalho, L. B.

2014-01-01

Magnetic particles as matrix for enzyme immobilization have been used and due to the enzymatic derivative can be easily removed from the reaction mixture by a magnetic field. This work presents a study about the synthesis and characterization of iron phases into magnetic montmorillonite clay (mMMT) and magnetic diatomaceous earth (mDE) by 57Fe Mössbauer spectroscopy (MS), magnetic measurements and X-ray diffraction (XRD). Also these magnetic materials were assessed as matrices for the immobilization of invertase via covalent binding. Mössbauer spectra of the magnetic composites performed at 4.2 K showed a mixture of magnetite and maghemite about equal proportion in the mMMT, and a pure magnetite phase in the sample mDE. These results were verified using XRD. The residual specific activity of the immobilized invertase on mMMT and mDE were 83 % and 92.5 %, respectively. Thus, both magnetic composites showed to be promising matrices for covalent immobilization of invertase.

Inhibitive effect of Pt on Pd-hydride formation of Pd@Pt core-shell electrocatalysts: An in situ EXAFS and XRD study

DOE PAGES

Wise, Anna M.; Richardson, Peter W.; Price, Stephen W. T.; ...

2017-12-27

In situ EXAFS and XRD have been used to study the electrochemical formation of hydride phases, H abs, in 0.5 M H 2SO 4 for a Pd/C catalyst and a series of Pd@Pt core-shell catalysts with varying Pt shell thickness, from 0.5 to 4 monolayers. Based on the XRD data a 3% lattice expansion is observed for the Pd/C core catalyst upon hydride formation at 0.0 V. In contrast, the expansion was ≤0.6% for all of the core-shell catalysts. The limited extent of the lattice expansion observed suggests that hydride formation, which may occur during periodic active surface area measurementsmore » conducting during accelerated aging tests or driven by H 2 crossover in PEM fuel cells, is unlikely to contribute significantly to the degradation of Pd@Pt core-shell electrocatalysts in contrast to the effects of oxide formation.« less

Inhibitive effect of Pt on Pd-hydride formation of Pd@Pt core-shell electrocatalysts: An in situ EXAFS and XRD study

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

Wise, Anna M.; Richardson, Peter W.; Price, Stephen W. T.

In situ EXAFS and XRD have been used to study the electrochemical formation of hydride phases, H abs, in 0.5 M H 2SO 4 for a Pd/C catalyst and a series of Pd@Pt core-shell catalysts with varying Pt shell thickness, from 0.5 to 4 monolayers. Based on the XRD data a 3% lattice expansion is observed for the Pd/C core catalyst upon hydride formation at 0.0 V. In contrast, the expansion was ≤0.6% for all of the core-shell catalysts. The limited extent of the lattice expansion observed suggests that hydride formation, which may occur during periodic active surface area measurementsmore » conducting during accelerated aging tests or driven by H 2 crossover in PEM fuel cells, is unlikely to contribute significantly to the degradation of Pd@Pt core-shell electrocatalysts in contrast to the effects of oxide formation.« less

DEVELOPMENT OF PROTEIN PROFILE TECHNOLOGY TO EVALUATE ECOLOGICAL EFFECTS OF ENVIRONMENTAL CHEMICALS USING A SMALL FISH MODEL

EPA Science Inventory

Hemmer, Michael J., Robert T. Hudson and Calvin C. Walker. In press. Development of Protein Profile Technology to Evaluate Ecological Effects of Environmental Chemicals Using a Small Fish Model (Abstract). To be presented at the EPA Science Forum: Healthy Communities and Ecosyste...

Integrating Wind Profiling Radars and Radiosonde Observations with Model Point Data to Develop a Decision Support Tool to Assess Upper-Level Winds for Space Launch

NASA Technical Reports Server (NTRS)

Bauman, William H., III; Flinn, Clay

2013-01-01

On the day-of-launch, the 45th Weather Squadron (45 WS) Launch Weather Officers (LWOs) monitor the upper-level winds for their launch customers to include NASA's Launch Services Program and NASA's Ground Systems Development and Operations Program. They currently do not have the capability to display and overlay profiles of upper-level observations and numerical weather prediction model forecasts. The LWOs requested the Applied Meteorology Unit (AMU) develop a tool in the form of a graphical user interface (GUI) that will allow them to plot upper-level wind speed and direction observations from the Kennedy Space Center (KSC) 50 MHz tropospheric wind profiling radar, KSC Shuttle Landing Facility 915 MHz boundary layer wind profiling radar and Cape Canaveral Air Force Station (CCAFS) Automated Meteorological Processing System (AMPS) radiosondes, and then overlay forecast wind profiles from the model point data including the North American Mesoscale (NAM) model, Rapid Refresh (RAP) model and Global Forecast System (GFS) model to assess the performance of these models. The AMU developed an Excel-based tool that provides an objective method for the LWOs to compare the model-forecast upper-level winds to the KSC wind profiling radars and CCAFS AMPS observations to assess the model potential to accurately forecast changes in the upperlevel profile through the launch count. The AMU wrote Excel Visual Basic for Applications (VBA) scripts to automatically retrieve model point data for CCAFS (XMR) from the Iowa State University Archive Data Server (http://mtarchive.qeol.iastate.edu) and the 50 MHz, 915 MHz and AMPS observations from the NASA/KSC Spaceport Weather Data Archive web site (http://trmm.ksc.nasa.gov). The AMU then developed code in Excel VBA to automatically ingest and format the observations and model point data in Excel to ready the data for generating Excel charts for the LWO's. The resulting charts allow the LWOs to independently initialize the three models 0

Glendale Community College Campus Profile '99.

ERIC Educational Resources Information Center

Spicer, Scot L.; Karpp, Edward R.; Amba, Conrad

The Campus Profile is an annual publication designed to help faculty, staff, and students understand Glendale Community College's (California) diverse operations and make informed decisions. The publication is organized around the statewide accountability model. This year's Campus Profile includes more accountability performance measures than in…

How important is the choice of the nutrient profile model used to regulate broadcast advertising of foods to children? A comparison using a targeted data set

PubMed Central

Scarborough, P; Payne, C; Agu, C G; Kaur, A; Mizdrak, A; Rayner, M; Halford, J C G; Boyland, E

2013-01-01

Background/Objective: The World Health Assembly recommends that children's exposure to marketing of unhealthy foods should be reduced. Nutrient profile models have been developed that define ‘unhealthy' to support regulation of broadcast advertising of foods to children. The level of agreement between these models is not clear. The objective of this study was to measure the agreement between eight nutrient profile models that have been proposed for the regulation of marketing to children over (a) how many and (b) what kind of foods should be permitted to be advertised during television viewed by children. Subjects/Methods: A representative data set of commercials for foods broadcast during television viewed by children in the UK was collected in 2008. The data set consisted of 11 763 commercials for 336 different products or brands. This data set was supplemented with nutrition data from company web sites, food packaging and a food composition table, and the nutrient profile models were applied. Results: The percentage of commercials that would be permitted by the different nutrient profile models ranged from 2.1% (0.4%, 3.7%) to 47.4% (42.1%, 52.6%). Half of the pairwise comparisons between models yielded kappa statistics less than 0.2, indicating that there was little agreement between models. Conclusions: Policy makers considering the regulation of broadcast advertising to children should carefully consider the choice of nutrient profile model to support the regulation, as this choice will have considerable influence on the outcome of the regulation. PMID:23801095

Mars dayside temperature from airglow limb profiles : comparison with in situ measurements and models

NASA Astrophysics Data System (ADS)

Gérard, Jean-Claude; Bougher, Stephen; Montmessin, Franck; Bertaux, Jean-Loup; Stiepen, A.

The thermal structure of the Mars upper atmosphere is the result of the thermal balance between heating by EUV solar radiation, infrared heating and cooling, conduction and dynamic influences such as gravity waves, planetary waves, and tides. It has been derived from observations performed from different spacecraft. These include in situ measurements of orbital drag whose strength depends on the local gas density. Atmospheric temperatures were determined from the altitude variation of the density measured in situ by the Viking landers and orbital drag measurements. Another method is based on remote sensing measurements of ultraviolet airglow limb profiles obtained over 40 years ago with spectrometers during the Mariner 6 and 7 flybys and from the Mariner 9 orbiter. Comparisons with model calculations indicate that they both reflect the CO_2 scale height from which atmospheric temperatures have been deduced. Upper atmospheric temperatures varying over the wide range 270-445 K, with a mean value of 325 K were deduced from the topside scale height of the airglow vertical profile. We present an analysis of limb profiles of the CO Cameron (a(3) Pi-X(1) Sigma(+) ) and CO_2(+) doublet (B(2) Sigma_u(+) - X(2) PiΠ_g) airglows observed with the SPICAM instrument on board Mars Express. We show that the temperature in the Mars thermosphere is very variable with a mean value of 270 K, but values ranging between 150 and 400 K have been observed. These values are compared to earlier determinations and model predictions. No clear dependence on solar zenith angle, latitude or season is apparent. Similarly, exospheric variations with F10.7 in the SPICAM airglow dataset are small over the solar minimum to moderate conditions sampled by Mars Express since 2005. We conclude that an unidentified process is the cause of the large observed temperature variability, which dominates the other sources of temperature variations.

Injury Profile SIMulator, a Qualitative Aggregative Modelling Framework to Predict Injury Profile as a Function of Cropping Practices, and Abiotic and Biotic Environment. II. Proof of Concept: Design of IPSIM-Wheat-Eyespot

PubMed Central

Robin, Marie-Hélène; Colbach, Nathalie; Lucas, Philippe; Montfort, Françoise; Cholez, Célia; Debaeke, Philippe; Aubertot, Jean-Noël

2013-01-01

IPSIM (Injury Profile SIMulator) is a generic modelling framework presented in a companion paper. It aims at predicting a crop injury profile as a function of cropping practices and abiotic and biotic environment. IPSIM's modelling approach consists of designing a model with an aggregative hierarchical tree of attributes. In order to provide a proof of concept, a model, named IPSIM-Wheat-Eyespot, has been developed with the software DEXi according to the conceptual framework of IPSIM to represent final incidence of eyespot on wheat. This paper briefly presents the pathosystem, the method used to develop IPSIM-Wheat-Eyespot using IPSIM's modelling framework, simulation examples, an evaluation of the predictive quality of the model with a large dataset (526 observed site-years) and a discussion on the benefits and limitations of the approach. IPSIM-Wheat-Eyespot proved to successfully represent the annual variability of the disease, as well as the effects of cropping practices (Efficiency = 0.51, Root Mean Square Error of Prediction = 24%; bias = 5.0%). IPSIM-Wheat-Eyespot does not aim to precisely predict the incidence of eyespot on wheat. It rather aims to rank cropping systems with regard to the risk of eyespot on wheat in a given production situation through ex ante evaluations. IPSIM-Wheat-Eyespot can also help perform diagnoses of commercial fields. Its structure is simple and permits to combine available knowledge in the scientific literature (data, models) and expertise. IPSIM-Wheat-Eyespot is now available to help design cropping systems with a low risk of eyespot on wheat in a wide range of production situations, and can help perform diagnoses of commercial fields. In addition, it provides a proof of concept with regard to the modelling approach of IPSIM. IPSIM-Wheat-Eyespot will be a sub-model of IPSIM-Wheat, a model that will predict injury profile on wheat as a function of cropping practices and the production situation. PMID:24146783

Injury profile SIMulator, a Qualitative aggregative modelling framework to predict injury profile as a function of cropping practices, and abiotic and biotic environment. II. Proof of concept: design of IPSIM-wheat-eyespot.

PubMed

Robin, Marie-Hélène; Colbach, Nathalie; Lucas, Philippe; Montfort, Françoise; Cholez, Célia; Debaeke, Philippe; Aubertot, Jean-Noël

2013-01-01

IPSIM (Injury Profile SIMulator) is a generic modelling framework presented in a companion paper. It aims at predicting a crop injury profile as a function of cropping practices and abiotic and biotic environment. IPSIM's modelling approach consists of designing a model with an aggregative hierarchical tree of attributes. In order to provide a proof of concept, a model, named IPSIM-Wheat-Eyespot, has been developed with the software DEXi according to the conceptual framework of IPSIM to represent final incidence of eyespot on wheat. This paper briefly presents the pathosystem, the method used to develop IPSIM-Wheat-Eyespot using IPSIM's modelling framework, simulation examples, an evaluation of the predictive quality of the model with a large dataset (526 observed site-years) and a discussion on the benefits and limitations of the approach. IPSIM-Wheat-Eyespot proved to successfully represent the annual variability of the disease, as well as the effects of cropping practices (Efficiency = 0.51, Root Mean Square Error of Prediction = 24%; bias = 5.0%). IPSIM-Wheat-Eyespot does not aim to precisely predict the incidence of eyespot on wheat. It rather aims to rank cropping systems with regard to the risk of eyespot on wheat in a given production situation through ex ante evaluations. IPSIM-Wheat-Eyespot can also help perform diagnoses of commercial fields. Its structure is simple and permits to combine available knowledge in the scientific literature (data, models) and expertise. IPSIM-Wheat-Eyespot is now available to help design cropping systems with a low risk of eyespot on wheat in a wide range of production situations, and can help perform diagnoses of commercial fields. In addition, it provides a proof of concept with regard to the modelling approach of IPSIM. IPSIM-Wheat-Eyespot will be a sub-model of IPSIM-Wheat, a model that will predict injury profile on wheat as a function of cropping practices and the production situation.

Development and validation of a wear model for the analysis of the wheel profile evolution in railway vehicles

NASA Astrophysics Data System (ADS)

Auciello, J.; Ignesti, M.; Malvezzi, M.; Meli, E.; Rindi, A.

2012-11-01

The numerical wheel wear prediction in railway applications is of great importance for different aspects, such as the safety against vehicle instability and derailment, the planning of wheelset maintenance interventions and the design of an optimal wheel profile from the wear point of view. For these reasons, this paper presents a complete model aimed at the evaluation of the wheel wear and the wheel profile evolution by means of dynamic simulations, organised in two parts which interact with each other mutually: a vehicle's dynamic model and a model for the wear estimation. The first is a 3D multibody model of a railway vehicle implemented in SIMPACK™, a commercial software for the analysis of mechanical systems, where the wheel-rail interaction is entrusted to a C/C++user routine external to SIMPACK, in which the global contact model is implemented. In this regard, the research on the contact points between the wheel and the rail is based on an innovative algorithm developed by the authors in previous works, while normal and tangential forces in the contact patches are calculated according to Hertz's theory and Kalker's global theory, respectively. Due to the numerical efficiency of the global contact model, the multibody vehicle and the contact model interact directly online during the dynamic simulations. The second is the wear model, written in the MATLAB® environment, mainly based on an experimental relationship between the frictional power developed at the wheel-rail interface and the amount of material removed by wear. Starting from a few outputs of the multibody simulations (position of contact points, contact forces and rigid creepages), it evaluates the local variables, such as the contact pressures and local creepages, using a local contact model (Kalker's FASTSIM algorithm). These data are then passed to another subsystem which evaluates, by means of the considered experimental relationship, both the material to be removed and its distribution along

The cosmological dependence of cluster density profiles

NASA Technical Reports Server (NTRS)

Crone, Mary M.; Evrard, August E.; Richstone, Douglas O.

1994-01-01

We use N-body simulations to study the shape of mean cluster density and velocity profiles in the nonlinear regime formed via gravitational instability. The dependence of the final structure on both cosmology and initial density field is examined, using a grid of cosmologies and scale-free initial power spectra P(k) varies as k(exp n). Einstein-de Sitter, open (Omega(sub 0) = 0.2 and 0.1) and flat, low density (Omega(sub 0) = 0.2 lambda(sub 0) = 0.8) models are examined, with initial spectral indices n = -2, -1 and 0. For each model, we stack clusters in an appropriately scaled manner to define an average density profile in the nonlinear regime. The profiles are well fit by a power law rho(r) varies as r(exp -alpha) for radii whereat the local density contrast is between 100 and 3000. This covers 99% of the cluster volume. We find a clear trend toward steeper slopes (larger alphas) with both increasing n and decreasing Omega(sub 0). The Omega(sub 0) dependence is partially masked by the n dependence; there is degeneracy in the values of alpha between the Einstein-de Sitter and flat, low-density cosmologies. However, the profile slopes in the open models are consistently higher than the Omega = 1 values for the range of n examined. Cluster density profiles are thus potentially useful cosmological diagnostics. We find no evidence for a constant density core in any of the models, although the density profiles do tend to flatten at small radii. Much of the flattening is due to the force softening required by the simulations. An attempt is made to recover the unsoftened profiles assuming angular momentum invariance. The recovered profiles in Einstein-de Sitter cosmologies are consistent with a pure power law up to the highest density contrasts (10(exp 6)) accessible with our resolution. The low-density models show significant deviation from a power law above density contrasts approximately 10(exp 5). We interpret this curvature as reflecting the non

Gene expression profiling via LongSAGE in a non-model plant species: a case study in seeds of Brassica napus

PubMed Central

Obermeier, Christian; Hosseini, Bashir; Friedt, Wolfgang; Snowdon, Rod

2009-01-01

Background Serial analysis of gene expression (LongSAGE) was applied for gene expression profiling in seeds of oilseed rape (Brassica napus ssp. napus). The usefulness of this technique for detailed expression profiling in a non-model organism was demonstrated for the highly complex, neither fully sequenced nor annotated genome of B. napus by applying a tag-to-gene matching strategy based on Brassica ESTs and the annotated proteome of the closely related model crucifer A. thaliana. Results Transcripts from 3,094 genes were detected at two time-points of seed development, 23 days and 35 days after pollination (DAP). Differential expression showed a shift from gene expression involved in diverse developmental processes including cell proliferation and seed coat formation at 23 DAP to more focussed metabolic processes including storage protein accumulation and lipid deposition at 35 DAP. The most abundant transcripts at 23 DAP were coding for diverse protease inhibitor proteins and proteases, including cysteine proteases involved in seed coat formation and a number of lipid transfer proteins involved in embryo pattern formation. At 35 DAP, transcripts encoding napin, cruciferin and oleosin storage proteins were most abundant. Over both time-points, 18.6% of the detected genes were matched by Brassica ESTs identified by LongSAGE tags in antisense orientation. This suggests a strong involvement of antisense transcript expression in regulatory processes during B. napus seed development. Conclusion This study underlines the potential of transcript tagging approaches for gene expression profiling in Brassica crop species via EST matching to annotated A. thaliana genes. Limits of tag detection for low-abundance transcripts can today be overcome by ultra-high throughput sequencing approaches, so that tag-based gene expression profiling may soon become the method of choice for global expression profiling in non-model species. PMID:19575793

A maximum pseudo-profile likelihood estimator for the Cox model under length-biased sampling

PubMed Central

Huang, Chiung-Yu; Qin, Jing; Follmann, Dean A.

2012-01-01

This paper considers semiparametric estimation of the Cox proportional hazards model for right-censored and length-biased data arising from prevalent sampling. To exploit the special structure of length-biased sampling, we propose a maximum pseudo-profile likelihood estimator, which can handle time-dependent covariates and is consistent under covariate-dependent censoring. Simulation studies show that the proposed estimator is more efficient than its competitors. A data analysis illustrates the methods and theory. PMID:23843659

Profile local linear estimation of generalized semiparametric regression model for longitudinal data.

PubMed

Sun, Yanqing; Sun, Liuquan; Zhou, Jie

2013-07-01

This paper studies the generalized semiparametric regression model for longitudinal data where the covariate effects are constant for some and time-varying for others. Different link functions can be used to allow more flexible modelling of longitudinal data. The nonparametric components of the model are estimated using a local linear estimating equation and the parametric components are estimated through a profile estimating function. The method automatically adjusts for heterogeneity of sampling times, allowing the sampling strategy to depend on the past sampling history as well as possibly time-dependent covariates without specifically model such dependence. A [Formula: see text]-fold cross-validation bandwidth selection is proposed as a working tool for locating an appropriate bandwidth. A criteria for selecting the link function is proposed to provide better fit of the data. Large sample properties of the proposed estimators are investigated. Large sample pointwise and simultaneous confidence intervals for the regression coefficients are constructed. Formal hypothesis testing procedures are proposed to check for the covariate effects and whether the effects are time-varying. A simulation study is conducted to examine the finite sample performances of the proposed estimation and hypothesis testing procedures. The methods are illustrated with a data example.

Evaluating mineralogy at terrestrial analogs for early Mars: Detection and characterization of clays with XRD and investigation of iron substitution in natroalunite

NASA Astrophysics Data System (ADS)

Beckerman, Laura Grace

The Mars Science Laboratory (MSL) Curiosity rover is equipped with CheMin, the first x-ray diffraction (XRD) instrument on Mars, for in situ mineralogy as part of its mission to seek evidence of past habitability at Gale Crater. Detection and characterization of hydrated minerals like clays and sulfates provides crucial insight into Mars' early geochemistry. For example, clays are often interpreted as having formed in lacustrine environments at neutral pHs, while sulfates such as jarosite are evidence of acid sulfate alteration. However, CheMin's inability to remove non-clay minerals and to preferentially orient samples may pose significant challenges to clay detection and characterization at Gale Crater. To evaluate the effect of particle size separation (<0.2 microm), removal of non-clay minerals, preferred orientation, and ethylene glycol solvation on XRD analyses of clays, we used both a CheMin analog instrument and a traditional laboratory XRD to identify clays in acid sulfate altered basalt from Mars analog sites in Costa Rica. We detected kaolinite in four of the fourteen samples studied, one of which also contained montmorillonite. Kaolinite was not detected in two samples with the analog instrument prior to clay isolation. These results suggest that CheMin may miss detection of some clays at Gale Crater, which could affect interpretations of early Mars' habitability. Mistaking iron-rich natroalunite (Na[Al,Fe]3(SO4) 2(OH)6) for jarosite (KFe3(SO4) 2(OH)6) could also impact interpretations of early Mars, as natroalunite can form over a broader range of pH, water:rock ratios, and redox conditions than can jarosite. To determine if iron-rich natroalunite is a common alteration product at Mars analog sites, we assessed iron content in natroalunite from Costa Rica. We detected up to 30% iron substitution in natroalunite at diverse geochemical settings. We also evaluated the feasibility of using XRD or Raman spectroscopy for in situ iron-rich natroalunite

Unbiased Quantitative Models of Protein Translation Derived from Ribosome Profiling Data

PubMed Central

Gritsenko, Alexey A.; Hulsman, Marc; Reinders, Marcel J. T.; de Ridder, Dick

2015-01-01

Translation of RNA to protein is a core process for any living organism. While for some steps of this process the effect on protein production is understood, a holistic understanding of translation still remains elusive. In silico modelling is a promising approach for elucidating the process of protein synthesis. Although a number of computational models of the process have been proposed, their application is limited by the assumptions they make. Ribosome profiling (RP), a relatively new sequencing-based technique capable of recording snapshots of the locations of actively translating ribosomes, is a promising source of information for deriving unbiased data-driven translation models. However, quantitative analysis of RP data is challenging due to high measurement variance and the inability to discriminate between the number of ribosomes measured on a gene and their speed of translation. We propose a solution in the form of a novel multi-scale interpretation of RP data that allows for deriving models with translation dynamics extracted from the snapshots. We demonstrate the usefulness of this approach by simultaneously determining for the first time per-codon translation elongation and per-gene translation initiation rates of Saccharomyces cerevisiae from RP data for two versions of the Totally Asymmetric Exclusion Process (TASEP) model of translation. We do this in an unbiased fashion, by fitting the models using only RP data with a novel optimization scheme based on Monte Carlo simulation to keep the problem tractable. The fitted models match the data significantly better than existing models and their predictions show better agreement with several independent protein abundance datasets than existing models. Results additionally indicate that the tRNA pool adaptation hypothesis is incomplete, with evidence suggesting that tRNA post-transcriptional modifications and codon context may play a role in determining codon elongation rates. PMID:26275099

Unbiased Quantitative Models of Protein Translation Derived from Ribosome Profiling Data.

PubMed

Gritsenko, Alexey A; Hulsman, Marc; Reinders, Marcel J T; de Ridder, Dick

2015-08-01

Translation of RNA to protein is a core process for any living organism. While for some steps of this process the effect on protein production is understood, a holistic understanding of translation still remains elusive. In silico modelling is a promising approach for elucidating the process of protein synthesis. Although a number of computational models of the process have been proposed, their application is limited by the assumptions they make. Ribosome profiling (RP), a relatively new sequencing-based technique capable of recording snapshots of the locations of actively translating ribosomes, is a promising source of information for deriving unbiased data-driven translation models. However, quantitative analysis of RP data is challenging due to high measurement variance and the inability to discriminate between the number of ribosomes measured on a gene and their speed of translation. We propose a solution in the form of a novel multi-scale interpretation of RP data that allows for deriving models with translation dynamics extracted from the snapshots. We demonstrate the usefulness of this approach by simultaneously determining for the first time per-codon translation elongation and per-gene translation initiation rates of Saccharomyces cerevisiae from RP data for two versions of the Totally Asymmetric Exclusion Process (TASEP) model of translation. We do this in an unbiased fashion, by fitting the models using only RP data with a novel optimization scheme based on Monte Carlo simulation to keep the problem tractable. The fitted models match the data significantly better than existing models and their predictions show better agreement with several independent protein abundance datasets than existing models. Results additionally indicate that the tRNA pool adaptation hypothesis is incomplete, with evidence suggesting that tRNA post-transcriptional modifications and codon context may play a role in determining codon elongation rates.

Profiling of epidermal lipids in a mouse model of dermatitis: Identification of potential biomarkers

PubMed Central

Franco, Jackeline; Ferreira, Christina; Paschoal Sobreira, Tiago J.; Sundberg, John P.

2018-01-01

Lipids are important structural and functional components of the skin. Alterations in the lipid composition of the epidermis are associated with inflammation and can affect the barrier function of the skin. SHARPIN-deficient cpdm mice develop a chronic dermatitis with similarities to atopic dermatitis in humans. Here, we used a recently-developed approach named multiple reaction monitoring (MRM)-profiling and single ion monitoring to rapidly identify discriminative lipid ions. Shorter fatty acyl residues and increased relative amounts of sphingosine ceramides were observed in cpdm epidermis compared to wild type mice. These changes were accompanied by downregulation of the Fasn gene which encodes fatty acid synthase. A profile of diverse lipids was generated by fast screening of over 300 transitions (ion pairs). Tentative attribution of the most significant transitions was confirmed by product ion scan (MS/MS), and the MRM-profiling linear intensity response was validated with a C17-ceramide lipid standard. Relative quantification of sphingosine ceramides CerAS(d18:1/24:0)2OH, CerAS(d18:1/16:0)2OH and CerNS(d18:1/16:0) discriminated between the two groups with 100% accuracy, while the free fatty acids cerotic acid, 16-hydroxy palmitic acid, and docosahexaenoic acid (DHA) had 96.4% of accuracy. Validation by liquid chromatography tandem mass spectrometry (LC-MS/MS) of the above-mentioned ceramides was in agreement with MRM-profiling results. Identification and rapid monitoring of these lipids represent a tool to assess therapeutic outcomes in SHARPIN-deficient mice and other mouse models of dermatitis and may have diagnostic utility in atopic dermatitis. PMID:29698466

Laboratory Detection and Analysis of Organic Compounds in Rocks Using HPLC and XRD Methods

NASA Technical Reports Server (NTRS)

Dragoi, D.; Kanik, I.; Bar-Cohen, Y.; Sherrit, S.; Tsapin, A.; Kulleck, J.

2004-01-01

In this work we describe an analytical method for determining the presence of organic compounds in rocks, limestone, and other composite materials. Our preliminary laboratory experiments on different rocks/limestone show that the organic component in mineralogical matrices is a minor phase on order of hundreds of ppm and can be better detected using high precision liquid chromatography (HPLC). The matrix, which is the major phase, plays an important role in embedding and protecting the organic molecules from the harsh Martian environment. Some rocks bear significant amounts of amino acids therefore, it is possible to identify these phases using powder x-ray diffraction (XRD) by crystallizing the organic. The method of detection/analysis of organics, in particular amino acids, that have been associated with life will be shown in the next section.

Repetitive behavior profile and supersensitivity to amphetamine in the C58/J mouse model of autism.

PubMed

Moy, Sheryl S; Riddick, Natallia V; Nikolova, Viktoriya D; Teng, Brian L; Agster, Kara L; Nonneman, Randal J; Young, Nancy B; Baker, Lorinda K; Nadler, Jessica J; Bodfish, James W

2014-02-01

Restricted repetitive behaviors are core symptoms of autism spectrum disorders (ASDs). The range of symptoms encompassed by the repetitive behavior domain includes lower-order stereotypy and self-injury, and higher-order indices of circumscribed interests and cognitive rigidity. Heterogeneity in clinical ASD profiles suggests that specific manifestations of repetitive behavior reflect differential neuropathology. The present studies utilized a set of phenotyping tasks to determine a repetitive behavior profile for the C58/J mouse strain, a model of ASD core symptoms. In an observational screen, C58/J demonstrated overt motor stereotypy, but not over-grooming, a commonly-used measure for mouse repetitive behavior. Amphetamine did not exacerbate motor stereotypy, but had enhanced stimulant effects on locomotion and rearing in C58/J, compared to C57BL/6J. Both C58/J and Grin1 knockdown mice, another model of ASD-like behavior, had marked deficits in marble-burying. In a nose poke task for higher-order repetitive behavior, C58/J had reduced holeboard exploration and preference for non-social, versus social, olfactory stimuli, but did not demonstrate cognitive rigidity following familiarization to an appetitive stimulus. Analysis of available high-density genotype data indicated specific regions of divergence between C58/J and two highly-sociable strains with common genetic lineage. Strain genome comparisons identified autism candidate genes, including Cntnap2 and Slc6a4, located within regions divergent in C58/J. However, Grin1, Nlgn1, Sapap3, and Slitrk5, genes linked to repetitive over-grooming, were not in regions of divergence. These studies suggest that specific repetitive phenotypes can be used to distinguish ASD mouse models, with implications for divergent underlying mechanisms for different repetitive behavior profiles. Copyright © 2013 Elsevier B.V. All rights reserved.

FTIR spectroscopic, thermal and XRD characterization of hydroxyapatite from new natural sources

NASA Astrophysics Data System (ADS)

Shaltout, Abdallah A.; Allam, Moussa A.; Moharram, Mohamed A.

2011-12-01

The inorganic constituents of 5 different plants (leaves and stalks) were investigated by using Fourier transformer infrared spectroscopy (FTIR), X-ray diffraction (XRD) and thermal analysis including thermal gravimetric analysis (TGA), derivative thermogravimetry (DTG) and differential scanning calorimetry (DSC). These plants are Catha edulis (Khat), basil, mint, green tea and trifolium. The absorption bands of carbonate ions CO 32- was exhibited at 1446 cm -1, and the phosphate ions PO 43- was assigned at 1105 and 1035 cm -1. At high temperatures (600, 700 and 600 °C) further absorption bands of the phosphate ions PO 43- was assigned at the frequencies 572, 617, 962, 1043 and 1110 cm -1 and the vibrational absorption band of the carbonate ions CO 32- was assigned at 871, 1416 and 1461 cm -1. X-ray diffraction and thermal analysis confirm the obtained results of FITR. Results showed that the main inorganic constituents of C. edulis and basil leaves are hydroxyapatite whereas the hydroxyapatite content in the other plant samples is less than that in case of C. edulis and basil plant leaves.

SU-F-T-158: Experimental Characterization of Field Size Dependence of Dose and Lateral Beam Profiles of Scanning Proton and Carbon Ion Beams for Empirical Model in Air

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

Li, Y; Hsi, W; Zhao, J

2016-06-15

Purpose: The Gaussian model for the lateral profiles in air is crucial for an accurate treatment planning system. The field size dependence of dose and the lateral beam profiles of scanning proton and carbon ion beams are due mainly to particles undergoing multiple Coulomb scattering in the beam line components and secondary particles produced by nuclear interactions in the target, both of which depend upon the energy and species of the beam. In this work, lateral profile shape parameters were fitted to measurements of field size dependence dose at the center of field size in air. Methods: Previous studies havemore » employed empirical fits to measured profile data to significantly reduce the QA time required for measurements. From this approach to derive the weight and sigma of lateral profiles in air, empirical model formulations were simulated for three selected energies for both proton and carbon beams. Results: The 20%–80% lateral penumbras predicted by the double model for proton and single model for carbon with the error functions agreed with the measurements within 1 mm. The standard deviation between measured and fitted field size dependence of dose for empirical model in air has a maximum accuracy of 0.74% for proton with double Gaussian, and of 0.57% for carbon with single Gaussian. Conclusion: We have demonstrated that the double Gaussian model of lateral beam profiles is significantly better than the single Gaussian model for proton while a single Gaussian model is sufficient for carbon. The empirical equation may be used to double check the separately obtained model that is currently used by the planning system. The empirical model in air for dose of spot scanning proton and carbon ion beams cannot be directly used for irregular shaped patient fields, but can be to provide reference values for clinical use and quality assurance.« less

A Graphical Modelling Approach to the Dissection of Highly Correlated Transcription Factor Binding Site Profiles

PubMed Central

Stojnic, Robert; Fu, Audrey Qiuyan; Adryan, Boris

2012-01-01

Inferring the combinatorial regulatory code of transcription factors (TFs) from genome-wide TF binding profiles is challenging. A major reason is that TF binding profiles significantly overlap and are therefore highly correlated. Clustered occurrence of multiple TFs at genomic sites may arise from chromatin accessibility and local cooperation between TFs, or binding sites may simply appear clustered if the profiles are generated from diverse cell populations. Overlaps in TF binding profiles may also result from measurements taken at closely related time intervals. It is thus of great interest to distinguish TFs that directly regulate gene expression from those that are indirectly associated with gene expression. Graphical models, in particular Bayesian networks, provide a powerful mathematical framework to infer different types of dependencies. However, existing methods do not perform well when the features (here: TF binding profiles) are highly correlated, when their association with the biological outcome is weak, and when the sample size is small. Here, we develop a novel computational method, the Neighbourhood Consistent PC (NCPC) algorithms, which deal with these scenarios much more effectively than existing methods do. We further present a novel graphical representation, the Direct Dependence Graph (DDGraph), to better display the complex interactions among variables. NCPC and DDGraph can also be applied to other problems involving highly correlated biological features. Both methods are implemented in the R package ddgraph, available as part of Bioconductor (http://bioconductor.org/packages/2.11/bioc/html/ddgraph.html). Applied to real data, our method identified TFs that specify different classes of cis-regulatory modules (CRMs) in Drosophila mesoderm differentiation. Our analysis also found depletion of the early transcription factor Twist binding at the CRMs regulating expression in visceral and somatic muscle cells at later stages, which suggests a CRM

Effects of various tool pin profiles on mechanical and metallurgical properties of friction stir welded joints of cryorolled AA2219 aluminium alloy

NASA Astrophysics Data System (ADS)

Kamal Babu, Karupannan; Panneerselvam, Kavan; Sathiya, Paulraj; Noorul Haq, Abdul Haq; Sundarrajan, Srinivasan; Mastanaiah, Potta; Srinivasa Murthy, Chunduri Venkata

2018-02-01

Friction stir welding (FSW) process was conducted on cryorolled (CR) AA2219 plate using different tool pin profiles such as cylindrical pin, threaded cylindrical pin, square pin and hexagonal pin profiles. The FSW was carried out with pairs of 6 mm thick CR aluminium plates with different tool pin profiles. The different tool pin profile weld portions' behaviors like mechanical (tensile strength, impact and hardness) and metallurgical characteristics were analyzed. The results of the mechanical analysis revealed that the joint made by the hexagonal pin tool had good strength compared to other pin profiles. This was due to the pulsating action and material flow of the tool resulting in dynamic recrystallization in the weld zone. This was confirmed by the ultra fine grain structure formation in Weld Nugget (WN) of hexagonal pin tool joint with a higher percentage of precipitate dissolution. The fractograph of the hexagonal tool pin weld portion confirmed the finer dimple structure morphology without having any interior defect compared to other tool pin profiles. The lowest weld joint strength was obtained from cylindrical pin profile weld joint due to insufficient material flow during welding. The Transmission Electron Microscope and EDX analysis showed the dissolution of the metastable θ″, θ' (Al2Cu) partial precipitates in the WN and proved the influence of metastable precipitates on enhancement of mechanical behavior of weld. The XRD results also confirmed the Al2Cu precipitation dissolution in the weld zone.

Profiler Support for Operations at Space Launch Ranges

NASA Technical Reports Server (NTRS)

Merceret, Francis; Wilfong, Timothy; Lambert, Winifred; Short, David; Decker, Ryan; Ward, Jennifer

2006-01-01

Accurate vertical wind profiles are essential to successful launch or landing. Wind changes can make it impossible to fly a desired trajectory or avoid dangerous vehicle loads, possibly resulting in loss of mission. Balloons take an hour to generate a profile up to 20 km, but major wind changes can occur in 20 minutes. Wind profilers have the temporal response to detect such last minute hazards. They also measure the winds directly overhead while balloons blow downwind. At the Eastern Range (ER), altitudes from 2 to 20 km are sampled by a 50-MHz profiler every 4 minutes. The surface to 3 km is sampled by five 915-MHz profilers every 15 minutes. The Range Safety office assesses the risk of potential toxic chemical dispersion. They use observational data and model output to estimate the spatial extent and concentration of substances dispersed within the boundary layer. The ER uses 915-MHz profilers as both a real time observation system and as input to dispersion models. The WR has similar plans. Wind profilers support engineering analyses for the Space Shuttle. The 50-IVl11z profiler was used recently to analyze changes in the low frequency wind and low vertical wavenumber content of wind profiles in the 3 to 15 km region of the atmosphere. The 915-MHz profiler network was used to study temporal wind change within the boundary layer.

Enhanced semantic interoperability by profiling health informatics standards.

PubMed

López, Diego M; Blobel, Bernd

2009-01-01

Several standards applied to the healthcare domain support semantic interoperability. These standards are far from being completely adopted in health information system development, however. The objective of this paper is to provide a method and suggest the necessary tooling for reusing standard health information models, by that way supporting the development of semantically interoperable systems and components. The approach is based on the definition of UML Profiles. UML profiling is a formal modeling mechanism to specialize reference meta-models in such a way that it is possible to adapt those meta-models to specific platforms or domains. A health information model can be considered as such a meta-model. The first step of the introduced method identifies the standard health information models and tasks in the software development process in which healthcare information models can be reused. Then, the selected information model is formalized as a UML Profile. That Profile is finally applied to system models, annotating them with the semantics of the information model. The approach is supported on Eclipse-based UML modeling tools. The method is integrated into a comprehensive framework for health information systems development, and the feasibility of the approach is demonstrated in the analysis, design, and implementation of a public health surveillance system, reusing HL7 RIM and DIMs specifications. The paper describes a method and the necessary tooling for reusing standard healthcare information models. UML offers several advantages such as tooling support, graphical notation, exchangeability, extensibility, semi-automatic code generation, etc. The approach presented is also applicable for harmonizing different standard specifications.

The effects of profiles on supersonic jet noise

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Bhat, T. R. S.

1994-01-01

The effect of velocity profiles on supersonic jet noise are studied by using stability calculations made for a shock-free coannular jet, with both the inner and outer flows supersonic. The Mach wave emission process is modeled as the noise generated by the large scale turbulent structures or the instability waves in the mixing region. Both the vortex-sheet and the realistic finite thickness shear layer models are considered. The stability calculations were performed for both inverted and normal velocity profiles. Comparisons are made with the results for an equivalent single jet, based on equal thrust, mass flow rate and exit area to that of the coannular jet. The advantages and disadvantages of these velocity profiles as far as noise radiation is concerned are discussed. It is shown that the Rayleigh's model prediction of the merits and demerits of different velocity profiles are in good agreement with the experimental data.

Three-Dimensional Coupled Dynamics of The Two-Fluid Model in Superfluid 4He: Deformed Velocity Profile of Normal Fluid in Thermal Counterflow

NASA Astrophysics Data System (ADS)

Yui, Satoshi; Tsubota, Makoto; Kobayashi, Hiromichi

2018-04-01

The coupled dynamics of the two-fluid model of superfluid 4He is numerically studied for quantum turbulence of the thermal counterflow in a square channel. We combine the vortex filament model of the superfluid and the Navier-Stokes equations of normal fluid. Simulations of the coupled dynamics show that the velocity profile of the normal fluid is deformed significantly by superfluid turbulence as the vortices become dense. This result is consistent with recently performed visualization experiments. We introduce a dimensionless parameter that characterizes the deformation of the velocity profile.

Temperature and Humidity Profiles in the TqJoint Data Group of AIRS Version 6 Product for the Climate Model Evaluation

NASA Technical Reports Server (NTRS)

Ding, Feng; Fang, Fan; Hearty, Thomas J.; Theobald, Michael; Vollmer, Bruce; Lynnes, Christopher

2014-01-01

The Atmospheric Infrared Sounder (AIRS) mission is entering its 13th year of global observations of the atmospheric state, including temperature and humidity profiles, outgoing long-wave radiation, cloud properties, and trace gases. Thus AIRS data have been widely used, among other things, for short-term climate research and observational component for model evaluation. One instance is the fifth phase of the Coupled Model Intercomparison Project (CMIP5) which uses AIRS version 5 data in the climate model evaluation. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is the home of processing, archiving, and distribution services for data from the AIRS mission. The GES DISC, in collaboration with the AIRS Project, released data from the version 6 algorithm in early 2013. The new algorithm represents a significant improvement over previous versions in terms of greater stability, yield, and quality of products. The ongoing Earth System Grid for next generation climate model research project, a collaborative effort of GES DISC and NASA JPL, will bring temperature and humidity profiles from AIRS version 6. The AIRS version 6 product adds a new "TqJoint" data group, which contains data for a common set of observations across water vapor and temperature at all atmospheric levels and is suitable for climate process studies. How different may the monthly temperature and humidity profiles in "TqJoint" group be from the "Standard" group where temperature and water vapor are not always valid at the same time? This study aims to answer the question by comprehensively comparing the temperature and humidity profiles from the "TqJoint" group and the "Standard" group. The comparison includes mean differences at different levels globally and over land and ocean. We are also working on examining the sampling differences between the "TqJoint" and "Standard" group using MERRA data.

Update of aircraft profile data for the Integrated Noise Model computer program, vol. 3 : appendix B aircraft performance coefficients

DOT National Transportation Integrated Search

1992-03-01

This report provides aircraft takeoff and landing profiles, : aircraft aerodynamic performance coefficients and engine : performance coefficients for the aircraft data base : (Database 9) in the Integrated Noise Model (INM) computer : program. Flight...

Studies the alterations of biochemical and mineral contents in bone tissue of mus musculus due to aluminum toxicity and the protective action of desferrioxamine and deferiprone by FTIR, ICP-OES, SEM and XRD techniques.

PubMed

Sivakumar, S; Khatiwada, Chandra Prasad; Sivasubramanian, J

2014-05-21

The present study has attempt to analyze the changes in the biochemical and mineral contents of aluminum intoxicated bone and determine the protective action of desferrioxamine (DFO) and deferiprone (DFP) by using Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), and scanning electron microscopy (SEM) techniques for four groups of animals such as control (Group I), aluminum intoxicated (Group II), Al+DFP (Group III) and Al+DFO+DFP (Group IV) treated groups respectively. The FTIR spectra of the aluminum intoxicated bone showed significant alteration in the biochemical constituents. The bands ratio at I1400/I877 significantly decreased from control to aluminum, but enhanced it by Al+DFP to Al+DFO+DFP treated bone tissue for treatments of 16 weeks. This result suggests that DFO and DFP are the carbonate inhibitor, recovered from chronic growth of bone diseases and pathologies. The alteration of proteins profile indicated by Amide I and Amide II, where peak area values decreased from control to aluminum respectively, but enhanced by treated with DFP (p.o.) and DFO+DFP (i.p.) respectively. The XRD analysis showed a decrease in crystallinity due to aluminum toxicity. Further, the Ca, Mg, and P contents of the aluminum exposed bone were less than those of the control group, and enhanced by treatments with DFO and DFP. The concentrations of trace elements were found by ICP-OES. Therefore, present study suggests that due to aluminum toxicity severe loss of bone minerals, decrease in the biochemical constituents and changes in the surface morphology. Copyright © 2014 Elsevier B.V. All rights reserved.

Directional pair distribution function for diffraction line profile analysis of atomistic models

PubMed Central

Leonardi, Alberto; Leoni, Matteo; Scardi, Paolo

2013-01-01

The concept of the directional pair distribution function is proposed to describe line broadening effects in powder patterns calculated from atomistic models of nano-polycrystalline microstructures. The approach provides at the same time a description of the size effect for domains of any shape and a detailed explanation of the strain effect caused by the local atomic displacement. The latter is discussed in terms of different strain types, also accounting for strain field anisotropy and grain boundary effects. The results can in addition be directly read in terms of traditional line profile analysis, such as that based on the Warren–Averbach method. PMID:23396818

Gene Profiling in Experimental Models of Eye Growth: Clues to Myopia Pathogenesis

PubMed Central

Stone, Richard A.; Khurana, Tejvir S.

2010-01-01

To understand the complex regulatory pathways that underlie the development of refractive errors, expression profiling has evaluated gene expression in ocular tissues of well-characterized experimental models that alter postnatal eye growth and induce refractive errors. Derived from a variety of platforms (e.g. differential display, spotted microarrays or Affymetrix GeneChips), gene expression patterns are now being identified in species that include chicken, mouse and primate. Reconciling available results is hindered by varied experimental designs and analytical/statistical features. Continued application of these methods offers promise to provide the much-needed mechanistic framework to develop therapies to normalize refractive development in children. PMID:20363242

Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

DOE PAGES

Jennings, Christopher A.; Ampleford, David J.; Lamppa, Derek C.; ...

2015-05-18

Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiativemore » output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.« less

XRD and 29Si MAS-NMR spectroscopy across the β-Lu 2Si 2O 7- β-Y 2Si 2O 7 solid solution

NASA Astrophysics Data System (ADS)

Becerro, Ana I.; Escudero, Alberto

2005-01-01

Samples in the system Lu 2-xY xSi 2O 7 (0⩽ x⩽2) have been synthesized following the sol-gel method and calcined to 1300 °C, a temperature at which the β-polymorph is known to be the stable phase for the end-members Lu 2Si 2O 7 and Y 2Si 2O 7. The XRD patterns of all the compositions studied are compatible with the structure of the β-polymorph. Unit cell parameters are calculated as a function of composition from XRD patterns. They show a linear change with increasing Y content, which indicates a solid solubility of β-Y 2Si 2O 7 in β-Lu 2Si 2O 7 at 1300 °C. 29Si MAS NMR spectra of the different members of the system agree with the XRD results, showing a linear decrease of the 29Si chemical shift with increasing Y content. Finally, a correlation reported in the literature to predict 29Si chemical shifts in silicates is applied here to obtain the theoretical variation in 29Si chemical shift values in the system Lu 2Si 2O 7-Y 2Si 2O 7 and the results compare favorably with the values obtained experimentally.

The potential of high-frequency profiling to assess vertical and seasonal patterns of phytoplankton dynamics in lakes: An extension of the Plankton Ecology Group (PEG) model

USGS Publications Warehouse

Brentrup, Jennifer A.; Williamson, Craig E.; Colom-Montero, William; Eckert, Werner; de Eyto, Elvira; Grossart, Hans-Peter; Huot, Yannick; Isles, Peter D. F.; Knoll, Lesley B.; Leach, Taylor H.; McBride, Christopher G.; Pierson, Don; Pomati, Francesco; Read, Jordan S.; Rose, Kevin C.; Samal, Nihar R.; Staehr, Peter A.; Winslow, Luke A.

2016-01-01

The use of high-frequency sensors on profiling buoys to investigate physical, chemical, and biological processes in lakes is increasing rapidly. Profiling buoys with automated winches and sensors that collect high-frequency chlorophyll fluorescence (ChlF) profiles in 11 lakes in the Global Lake Ecological Observatory Network (GLEON) allowed the study of the vertical and temporal distribution of ChlF, including the formation of subsurface chlorophyll maxima (SSCM). The effectiveness of 3 methods for sampling phytoplankton distributions in lakes, including (1) manual profiles, (2) single-depth buoys, and (3) profiling buoys were assessed. High-frequency ChlF surface data and profiles were compared to predictions from the Plankton Ecology Group (PEG) model. The depth-integrated ChlF dynamics measured by the profiling buoy data revealed a greater complexity that neither conventional sampling nor the generalized PEG model captured. Conventional sampling techniques would have missed SSCM in 7 of 11 study lakes. Although surface-only ChlF data underestimated average water column ChlF, at times by nearly 2-fold in 4 of the lakes, overall there was a remarkable similarity between surface and mean water column data. Contrary to the PEG model’s proposed negligible role for physical control of phytoplankton during the growing season, thermal structure and light availability were closely associated with ChlF seasonal depth distribution. Thus, an extension of the PEG model is proposed, with a new conceptual framework that explicitly includes physical metrics to better predict SSCM formation in lakes and highlight when profiling buoys are especially informative.

Validity of "sputtering and re-condensation" model in active screen cage plasma nitriding process

NASA Astrophysics Data System (ADS)

Saeed, A.; Khan, A. W.; Jan, F.; Abrar, M.; Khalid, M.; Zakaullah, M.

2013-05-01

The validity of "sputtering and re-condensation" model in active screen plasma nitriding for nitrogen mass transfer mechanism is investigated. The dominant species including NH, Fe-I, N2+, N-I and N2 along with Hα and Hβ lines are observed in the optical emission spectroscopy (OES) analysis. Active screen cage and dc plasma nitriding of AISI 316 stainless steel as function of treatment time is also investigated. The structure and phases composition of the nitrided layer is studied by X-ray diffraction (XRD). Surface morphology is studied by scanning electron microscopy (SEM) and hardness profile is obtained by Vicker's microhardness tester. Increasing trend in microhardness is observed in both cases but the increase in active screen plasma nitriding is about 3 times greater than that achieved by dc plasma nitriding. On the basis of metallurgical and OES observations the use of "sputtering and re-condensation" model in active screen plasma nitriding is tested.

A Method for Evaluation of Model-Generated Vertical Profiles of Meteorological Variables

DTIC Science & Technology

2016-03-01

3 2.1 RAOB Soundings and WRF Output for Profile Generation 3 2.2 Height-Based Profiles 5 2.3 Pressure-Based Profiles 5 3. Comparisons 8 4...downward arrow. The blue lines represent sublayers with sublayer means indicated by red triangles. Circles indicate the observations or WRF output...9 Table 3 Sample of differences in listed variables derived from WRF and RAOB data

Different β-alanine dimeric forms in trifluoromethanesulfonic acid salts. XRD and vibrational studies.

PubMed

Wołoszyn, Łukasz; Ilczyszyn, Maria M

2018-03-15

Two new crystalline salts: β-alaninium trifluoromethanesulfonate (β-AlaOTf) and bis(β-alanine) trifluoromethanesulfonate (β-2AlaOTf) were obtained. The former one contains diprotonated β-alanine dimer, the latter one monoprotonated β-alanine dimer. Both compounds were studied by single crystal XRD, vibrational (IR and Raman) spectroscopy and calorimetric method. The quantum-mechanical calculations (DFT/B3LYP/6-311++G(2d,2p)) for the diprotonated dimer were carried out. The β-AlaOTf salt crystallizes in the P1¯ space group of triclinic system (Z=2), the β-2AlaOTf in the P2 1 /m space group of monoclinic system (Z=2). The vibrational data for the studied compounds are discussed in relation to their crystal structure, and provide insight into the character of hydrogen bonds and β-alanine protonation. The studied crystals do not exhibit phase transitions in the solid state. Copyright © 2017 Elsevier B.V. All rights reserved.

Identifying Chinese Microblog Users With High Suicide Probability Using Internet-Based Profile and Linguistic Features: Classification Model

PubMed Central

Guan, Li; Hao, Bibo; Cheng, Qijin; Yip, Paul SF

2015-01-01

Background Traditional offline assessment of suicide probability is time consuming and difficult in convincing at-risk individuals to participate. Identifying individuals with high suicide probability through online social media has an advantage in its efficiency and potential to reach out to hidden individuals, yet little research has been focused on this specific field. Objective The objective of this study was to apply two classification models, Simple Logistic Regression (SLR) and Random Forest (RF), to examine the feasibility and effectiveness of identifying high suicide possibility microblog users in China through profile and linguistic features extracted from Internet-based data. Methods There were nine hundred and nine Chinese microblog users that completed an Internet survey, and those scoring one SD above the mean of the total Suicide Probability Scale (SPS) score, as well as one SD above the mean in each of the four subscale scores in the participant sample were labeled as high-risk individuals, respectively. Profile and linguistic features were fed into two machine learning algorithms (SLR and RF) to train the model that aims to identify high-risk individuals in general suicide probability and in its four dimensions. Models were trained and then tested by 5-fold cross validation; in which both training set and test set were generated under the stratified random sampling rule from the whole sample. There were three classic performance metrics (Precision, Recall, F1 measure) and a specifically defined metric “Screening Efficiency” that were adopted to evaluate model effectiveness. Results Classification performance was generally matched between SLR and RF. Given the best performance of the classification models, we were able to retrieve over 70% of the labeled high-risk individuals in overall suicide probability as well as in the four dimensions. Screening Efficiency of most models varied from 1/4 to 1/2. Precision of the models was generally below 30

Combined In-Situ XRD and In-Situ XANES Studies on the Reduction Behavior of a Rhenium Promoted Cobalt Catalyst

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

Kumar, Nitin; Payzant, E Andrew; Jothimurugesan, K

2011-01-01

A 10% Co 4% Re/(2% Zr/SiO2) catalyst was prepared by co-impregnation using a silica support modified by 2% Zr. The catalyst was characterized by temperature programmed reduction (TPR), in situ XRD and in situ XANES analysis where it was simultaneously exposed to H2 using a temperature programmed ramp. The results showed the two step reduction of large crystalline Co3O4 with CoO as an intermediate. TPR results showed that the reduction of highly dispersed Co3O4 was facilitated by reduced rhenium by a H2-spillover mechanism. In situ XRD results showed the presence of both, Co-hcp and Co-fcc phases in the reduced catalystmore » at 400 C. However, the Co-hcp phase was more abundant, which is thought to be the more active phase as compared to the Co-fcc phase for CO hydrogenation. CO hydrogenation at 270 C and 5 bar pressure produces no detectable change in the phases during the time of experiment. In situ XANES results showed a decrease in the metallic cobalt in the presence of H2/CO, which can be attributed due to oxidation of the catalyst by reaction under these conditions.« less

Interrelated structure of high altitude atmospheric profiles

NASA Technical Reports Server (NTRS)

Engler, N. A.; Goldschmidt, M. A.

1972-01-01

A preliminary development of a mathematical model to compute probabilities of thermodynamic profiles is presented. The model assumes an exponential expression for pressure and utilizes the hydrostatic law and equation of state in the determination of density and temperature. It is shown that each thermodynamic variable can be factored into the produce of steady state and perturbation functions. The steady state functions have profiles similar to those of the 1962 standard atmosphere while the perturbation functions oscillate about 1. Limitations of the model and recommendations for future work are presented.

Mineralogical In-situ Investigation of Acid-Sulfate Samples from the Rio Tinto River, Spain, with a Portable XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Sarrazin, P.; Ming, D. W.; Morris, R. V.; Fernandez-Remolar, D.; Amils, R.; Arvidson, R. E.; Blake, D.; Bish, D. L.

2007-01-01

A field campaign was organized in September 2006 by Centro de Astobiologica (Spain) and Washington University (St Louis, USA) for the geological study of the Rio Tinto river bed sediments using a suite of in-situ instruments comprising an ASD reflectance spectrometer, an emission spectrometer, panoramic and close-up color imaging cameras, a life detection system and NASA's CheMin 4 XRD/XRF prototype. The primary objectives of the field campaign were to study the geology of the site and test the potential of the instrument suite in an astrobiological investigation context for future Mars surface robotic missions. The results of the overall campaign will be presented elsewhere. This paper focuses on the results of the XRD/XRF instrument deployment. The specific objectives of the CheMin 4 prototype in Rio Tinto were to 1) characterize the mineralogy of efflorescent salts in their native environments; 2) analyze the mineralogy of salts and oxides from the modern environment to terraces formed earlier as part of the Rio Tinto evaporative system; and 3) map the transition from hematite-dominated terraces to the mixed goethite/salt-bearing terraces where biosignatures are best preserved.

The impact of in-canopy wind profile formulations on heat flux estimation in an open orchard using the remote sensing-based two-source model

NASA Astrophysics Data System (ADS)

Cammalleri, C.; Anderson, M. C.; Ciraolo, G.; Durso, G.; Kustas, W. P.; La Loggia, G.; Minacapilli, M.

2010-12-01

For open orchard and vineyard canopies containing significant fractions of exposed soil (>50%), typical of Mediterranean agricultural regions, the energy balance of the vegetation elements is strongly influenced by heat exchange with the bare soil/substrate. For these agricultural systems a "two-source" approach, where radiation and turbulent exchange between the soil and canopy elements are explicitly modelled, appears to be the only suitable methodology for reliably assessing energy fluxes. In strongly clumped canopies, the effective wind speed profile inside and below the canopy layer can strongly influence the partitioning of energy fluxes between the soil and vegetation components. To assess the impact of in-canopy wind profile on model flux estimates, an analysis of three different formulations is presented, including algorithms from Goudriaan (1977), Massman (1987) and Lalic et al. (2003). The in-canopy wind profile formulations are applied to the thermal-based two-source energy balance (TSEB) model developed by Norman et al. (1995) and modified by Kustas and Norman (1999). High resolution airborne remote sensing images, collected over an agricultural area located in the western part of Sicily (Italy) comprised primarily of vineyards, olive and citrus orchards, are used to derive all the input parameters needed to apply the TSEB. The images were acquired from June to October 2008 and include a relatively wide range of meteorological and soil moisture conditions. A preliminary sensitivity analysis of the three wind profile algorithms highlights the dependence of wind speed just above the soil/substrate to leaf area index and canopy height over the typical range of canopy properties encountered in these agricultural areas. It is found that differences among the models in wind just above the soil surface are most significant under sparse and medium fractional cover conditions (15-50%). The TSEB model heat flux estimates are compared with micro

A ranking index for quality assessment of forensic DNA profiles forensic DNA profiles

PubMed Central

2010-01-01

Background Assessment of DNA profile quality is vital in forensic DNA analysis, both in order to determine the evidentiary value of DNA results and to compare the performance of different DNA analysis protocols. Generally the quality assessment is performed through manual examination of the DNA profiles based on empirical knowledge, or by comparing the intensities (allelic peak heights) of the capillary electrophoresis electropherograms. Results We recently developed a ranking index for unbiased and quantitative quality assessment of forensic DNA profiles, the forensic DNA profile index (FI) (Hedman et al. Improved forensic DNA analysis through the use of alternative DNA polymerases and statistical modeling of DNA profiles, Biotechniques 47 (2009) 951-958). FI uses electropherogram data to combine the intensities of the allelic peaks with the balances within and between loci, using Principal Components Analysis. Here we present the construction of FI. We explain the mathematical and statistical methodologies used and present details about the applied data reduction method. Thereby we show how to adapt the ranking index for any Short Tandem Repeat-based forensic DNA typing system through validation against a manual grading scale and calibration against a specific set of DNA profiles. Conclusions The developed tool provides unbiased quality assessment of forensic DNA profiles. It can be applied for any DNA profiling system based on Short Tandem Repeat markers. Apart from crime related DNA analysis, FI can therefore be used as a quality tool in paternal or familial testing as well as in disaster victim identification. PMID:21062433

Geographic profiling applied to testing models of bumble-bee foraging.

PubMed

Raine, Nigel E; Rossmo, D Kim; Le Comber, Steven C

2009-03-06

Geographic profiling (GP) was originally developed as a statistical tool to help police forces prioritize lists of suspects in investigations of serial crimes. GP uses the location of related crime sites to make inferences about where the offender is most likely to live, and has been extremely successful in criminology. Here, we show how GP is applicable to experimental studies of animal foraging, using the bumble-bee Bombus terrestris. GP techniques enable us to simplify complex patterns of spatial data down to a small number of parameters (2-3) for rigorous hypothesis testing. Combining computer model simulations and experimental observation of foraging bumble-bees, we demonstrate that GP can be used to discriminate between foraging patterns resulting from (i) different hypothetical foraging algorithms and (ii) different food item (flower) densities. We also demonstrate that combining experimental and simulated data can be used to elucidate animal foraging strategies: specifically that the foraging patterns of real bumble-bees can be reliably discriminated from three out of nine hypothetical foraging algorithms. We suggest that experimental systems, like foraging bees, could be used to test and refine GP model predictions, and that GP offers a useful technique to analyse spatial animal behaviour data in both the laboratory and field.

Microalgal Metabolic Network Model Refinement through High-Throughput Functional Metabolic Profiling