Sample records for matrices model formulation

  1. The algebraic theory of latent projectors in lambda matrices

    NASA Technical Reports Server (NTRS)

    Denman, E. D.; Leyva-Ramos, J.; Jeon, G. J.

    1981-01-01

    Multivariable systems such as a finite-element model of vibrating structures, control systems, and large-scale systems are often formulated in terms of differential equations which give rise to lambda matrices. The present investigation is concerned with the formulation of the algebraic theory of lambda matrices and the relationship of latent roots, latent vectors, and latent projectors to the eigenvalues, eigenvectors, and eigenprojectors of the companion form. The chain rule for latent projectors and eigenprojectors for the repeated latent root or eigenvalues is given.

  2. Designing herbicide formulation characteristics to maximize efficacy and minimize rice injury in paddy environments.

    PubMed

    Cryer, S A; Mann, R K; Erhardt-Zabik, S; Keeney, F N; Handy, P R

    2001-06-01

    Mathematical descriptors, coupled with experimental observations, are used to quantify differential uptake of an experimental herbicide in Japonica and Indica rice (Oryza sativa, non-target) and barnyardgrass (Echinochloa crus-galli, target). Partitioning, degradation, plant uptake and metabolism are described using mass-balance conservation equations in the form of kinetic approximations. Estimated environmental concentrations, governed by the pesticide formulation, are described using superimposed analytical solutions for the one-dimensional diffusion equation in spherical coordinates and by a finite difference representation of the two-dimensional diffusion equation in Cartesian coordinates. Formulation attributes from granules include active ingredient release rates, particle sizes, pesticide loading, and granule spacing. The diffusion model for pesticide transport is coupled with the compartment model to follow the fate and transport of a pesticide from its initial application location to various environmental matrices of interest. Formulation effects, partitioning and degradation in the various environmental matrices, differential plant uptake and metabolism, and dose-response information for plants are accounted for. This novel model provides a mechanism for selecting formulation delivery systems that optimize specific attributes (such as weed control or the therapeutic index) for risk-assessment procedures. In this report we describe how this methodology was used to explore the factors affecting herbicide efficacy and to define an optimal release rate for a granule formulation.

  3. Quantum kinetic expansion in the spin-boson model: Matrix formulation and system-bath factorized initial state.

    PubMed

    Gong, Zhihao; Tang, Zhoufei; Wang, Haobin; Wu, Jianlan

    2017-12-28

    Within the framework of the hierarchy equation of motion (HEOM), the quantum kinetic expansion (QKE) method of the spin-boson model is reformulated in the matrix representation. The equivalence between the two formulations (HEOM matrices and quantum operators) is numerically verified from the calculation of the time-integrated QKE rates. The matrix formulation of the QKE is extended to the system-bath factorized initial state. Following a one-to-one mapping between HEOM matrices and quantum operators, a quantum kinetic equation is rederived. The rate kernel is modified by an extra term following a systematic expansion over the site-site coupling. This modified QKE is numerically tested for its reliability by calculating the time-integrated rate and non-Markovian population kinetics. For an intermediate-to-strong dissipation strength and a large site-site coupling, the population transfer is found to be significantly different when the initial condition is changed from the local equilibrium to system-bath factorized state.

  4. Flux Jacobian Matrices For Equilibrium Real Gases

    NASA Technical Reports Server (NTRS)

    Vinokur, Marcel

    1990-01-01

    Improved formulation includes generalized Roe average and extension to three dimensions. Flux Jacobian matrices derived for use in numerical solutions of conservation-law differential equations of inviscid flows of ideal gases extended to real gases. Real-gas formulation of these matrices retains simplifying assumptions of thermodynamic and chemical equilibrium, but adds effects of vibrational excitation, dissociation, and ionization of gas molecules via general equation of state.

  5. Formulation and in-vitro evaluation of directly compressed controlled release matrices of Losartan Potassium using Ethocel Grade 100 as rate retarding agent.

    PubMed

    Khan, Kamran Ahmad; Khan, Gul Majid; Zeeshan Danish, Muhammad; Akhlaq; Khan, Haroon; Rehman, Fazal; Mehsud, Saifullah

    2015-12-30

    Current study was aimed to develop 200mg controlled release matrix tablets of Losartan Potassium using Ethocel 100 Premium and Ethocel 100 FP Premium as rate controlling polymer. In-vitro studies were performed according to USP Method-I in phosphate buffer (PH 6.8) using pharma test dissolution apparatus. The temperature of the dissolution medium was kept constant at 37±0.5°C at 100rpm. Flow properties, physical quality control tests, effect of polymer size and drug-to-polymers ratios were studied using different kinetics models such as 1st-order, zero-order, Hixon Crowell model, Highuchi model and Power law. Difference factor f1 and similarity factor f2 were applied for dissolution profiles against Cardaktin® tablets used as a reference formulation. The matrices with polymer ethocel 100 FP Premiums have prolonged the drug release rate as compared to polymer ethocel 100 Premiums. The n values matrices with polymer ethocel grade 100 ranged from 0.603 to 0.857 indicating that the drug release occurred by anomalous non fickian diffusion kinetics while then value of reference Cardaktin® tablet was measured as 0.125 indicating that these tablets do not follow power law. The dissolution profiles of test formulations were different than that of reference Cardaktin®. This suggests the polymer Ethocel grade 100 can be proficiently incorporated in fabrication and development of once a day controlled release matrix tablets. Copyright © 2015. Published by Elsevier B.V.

  6. Optimal Frequency-Domain System Realization with Weighting

    NASA Technical Reports Server (NTRS)

    Juang, Jer-Nan; Maghami, Peiman G.

    1999-01-01

    Several approaches are presented to identify an experimental system model directly from frequency response data. The formulation uses a matrix-fraction description as the model structure. Frequency weighting such as exponential weighting is introduced to solve a weighted least-squares problem to obtain the coefficient matrices for the matrix-fraction description. A multi-variable state-space model can then be formed using the coefficient matrices of the matrix-fraction description. Three different approaches are introduced to fine-tune the model using nonlinear programming methods to minimize the desired cost function. The first method uses an eigenvalue assignment technique to reassign a subset of system poles to improve the identified model. The second method deals with the model in the real Schur or modal form, reassigns a subset of system poles, and adjusts the columns (rows) of the input (output) influence matrix using a nonlinear optimizer. The third method also optimizes a subset of poles, but the input and output influence matrices are refined at every optimization step through least-squares procedures.

  7. Formulation and development of pH-independent/dependent sustained release matrix tablets of ondansetron HCl by a continuous twin-screw melt granulation process.

    PubMed

    Patil, Hemlata; Tiwari, Roshan V; Upadhye, Sampada B; Vladyka, Ronald S; Repka, Michael A

    2015-12-30

    The objective of the present study was to develop pH-independent/dependent sustained release (SR) tablets of ondansetron HCl dihydrate (OND), a selective 5-HT3 receptor antagonist that is used for prevention of nausea and vomiting caused by chemotherapy, radiotherapy and postoperative treatment. The challenge with the OND API is its pH-dependent solubility and relatively short elimination half-life. Therefore, investigations were made to solve these problems in the current study. Formulations were prepared using stearic acid as a binding agent via a melt granulation process in a twin-screw extruder. The micro-environmental pH of the tablet was manipulated by the addition of fumaric acid to enhance the solubility and release of OND from the tablet. The in vitro release study demonstrated sustained release for 24h with 90% of drug release in formulations using stearic acid in combination with ethyl cellulose, whereas 100% drug release in 8h for stearic acid-hydroxypropylcellulose matrices. The formulation release kinetics was correlated to the Higuchi diffusion model and a non-Fickian drug release mechanism. The results of the present study demonstrated for the first time the pH dependent release from hydrophilic-lipid matrices as well as pH independent release from hydrophobic-lipid matrices for OND SR tablets manufactured by means of a continuous melt granulation technique utilizing a twin-screw extruder. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Arctic curves in path models from the tangent method

    NASA Astrophysics Data System (ADS)

    Di Francesco, Philippe; Lapa, Matthew F.

    2018-04-01

    Recently, Colomo and Sportiello introduced a powerful method, known as the tangent method, for computing the arctic curve in statistical models which have a (non- or weakly-) intersecting lattice path formulation. We apply the tangent method to compute arctic curves in various models: the domino tiling of the Aztec diamond for which we recover the celebrated arctic circle; a model of Dyck paths equivalent to the rhombus tiling of a half-hexagon for which we find an arctic half-ellipse; another rhombus tiling model with an arctic parabola; the vertically symmetric alternating sign matrices, where we find the same arctic curve as for unconstrained alternating sign matrices. The latter case involves lattice paths that are non-intersecting but that are allowed to have osculating contact points, for which the tangent method was argued to still apply. For each problem we estimate the large size asymptotics of a certain one-point function using LU decomposition of the corresponding Gessel–Viennot matrices, and a reformulation of the result amenable to asymptotic analysis.

  9. Novel formulations of CKM matrix renormalization

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

    Kniehl, Bernd A.; Sirlin, Alberto

    2009-12-17

    We review two recently proposed on-shell schemes for the renormalization of the Cabibbo-Kobayashi-Maskawa (CKM) quark mixing matrix in the Standard Model. One first constructs gauge-independent mass counterterm matrices for the up- and down-type quarks complying with the hermiticity of the complete mass matrices. Diagonalization of the latter then leads to explicit expressions for the CKM counterterm matrix, which are gauge independent, preserve unitarity, and lead to renormalized amplitudes that are non-singular in the limit in which any two quarks become mass degenerate. One of the schemes also automatically satisfies flavor democracy.

  10. The influence of matrix composition and reinforcement type on the properties of polysialate composites

    NASA Astrophysics Data System (ADS)

    Hammell, James A.

    There is a critical need for the development of materials for eliminating fire as a cause of death in aircraft accidents. Currently available composites that use organic matrices not only deteriorate at temperatures above 300°C but also emit toxic fumes. The results presented in this dissertation focus on the development of an inorganic matrix that does not burn or emit toxic fumes. The matrix, known as polysialate, can withstand temperatures in excess of 1000°C. The matrix behaves like a ceramic, but does not need high curing temperatures, so it can be processed like many common organic matrices. The major parameters evaluated in this dissertation are: (i) Influence of reinforcement type, (ii) Matrix formulation for both wet-dry durability and high temperature resistance, (iii) Influence of processing variables such as moisture reduction and storage, (iv) Tensile strain capacity of modified matrices and matrices reinforced with ceramic microfibers and discrete carbon fibers, and (v) analytical modeling of mechanical properties. For the reinforcement type; carbon, glass, and stainless steel wire fabrics were investigated. Carbon fabrics with 1, 3, 12, and 50k tows were used. A matrix chemical formulation that can withstand wetting and drying was developed. This formulation was tested at high temperatures to ascertain its stability above 400°C. On the topic of processing, shelf life of prepregged fabric layers and efficient moisture removal methods were studied. An analytical model based on layered reinforcement was developed for analyzing flexural specimens. It is shown that the new inorganic matrix can withstand wetting and drying, and also high temperature. The layered reinforcement concept provides accurate prediction of strength and stiffness for composites reinforced with 1k and 3k tows. The prepregged fabric layers can be stored for 14 days at -15°C without losing strength.

  11. Damping Enhancement of Composite Panels by Inclusion of Shunted Piezoelectric Patches: A Wave-Based Modelling Approach.

    PubMed

    Chronopoulos, Dimitrios; Collet, Manuel; Ichchou, Mohamed

    2015-02-17

    The waves propagating within complex smart structures are hereby computed by employing a wave and finite element method. The structures can be of arbitrary layering and of complex geometric characteristics as long as they exhibit two-dimensional periodicity. The piezoelectric coupling phenomena are considered within the finite element formulation. The mass, stiffness and piezoelectric stiffness matrices of the modelled segment can be extracted using a conventional finite element code. The post-processing of these matrices involves the formulation of an eigenproblem whose solutions provide the phase velocities for each wave propagating within the structure and for any chosen direction of propagation. The model is then modified in order to account for a shunted piezoelectric patch connected to the composite structure. The impact of the energy dissipation induced by the shunted circuit on the total damping loss factor of the composite panel is then computed. The influence of the additional mass and stiffness provided by the attached piezoelectric devices on the wave propagation characteristics of the structure is also investigated.

  12. Damping Enhancement of Composite Panels by Inclusion of Shunted Piezoelectric Patches: A Wave-Based Modelling Approach

    PubMed Central

    Chronopoulos, Dimitrios; Collet, Manuel; Ichchou, Mohamed; Shah, Tahir

    2015-01-01

    The waves propagating within complex smart structures are hereby computed by employing a wave and finite element method. The structures can be of arbitrary layering and of complex geometric characteristics as long as they exhibit two-dimensional periodicity. The piezoelectric coupling phenomena are considered within the finite element formulation. The mass, stiffness and piezoelectric stiffness matrices of the modelled segment can be extracted using a conventional finite element code. The post-processing of these matrices involves the formulation of an eigenproblem whose solutions provide the phase velocities for each wave propagating within the structure and for any chosen direction of propagation. The model is then modified in order to account for a shunted piezoelectric patch connected to the composite structure. The impact of the energy dissipation induced by the shunted circuit on the total damping loss factor of the composite panel is then computed. The influence of the additional mass and stiffness provided by the attached piezoelectric devices on the wave propagation characteristics of the structure is also investigated. PMID:28787972

  13. Scattering matrices of Lamb waves at irregular surface and void defects.

    PubMed

    Feng, Feilong; Shen, Jianzhong; Lin, Shuyu

    2012-08-01

    Time-harmonic solution of Lamb wave scattering in a plane-strain waveguide with irregular thickness is investigated based on stair-step discretization and stepwise mode matching. The transfer relations of the transmission matrices and reflection matrices are derived in both directions of the waveguide. With these, an explicit expression of the scattering matrix is derived. When the scattering region of an inner irregular defect is geometrically divided into several parts composed of sub-waveguides with variable thicknesses and void regions with vertical free edges corresponding to the plate surfaces, the scattering matrix of the whole region could then be derived by modal matching along the artificial boundaries, as explicit functions of all the scattering matrices of the sub-waveguides and reflection matrices of the free edges. The effectiveness of the formulation is examined by numerical examples; the calculated scattering coefficients are in good accordance with those obtained from numerical simulation models. Copyright © 2012 Elsevier B.V. All rights reserved.

  14. A probabilistic model of a porous heat exchanger

    NASA Technical Reports Server (NTRS)

    Agrawal, O. P.; Lin, X. A.

    1995-01-01

    This paper presents a probabilistic one-dimensional finite element model for heat transfer processes in porous heat exchangers. The Galerkin approach is used to develop the finite element matrices. Some of the submatrices are asymmetric due to the presence of the flow term. The Neumann expansion is used to write the temperature distribution as a series of random variables, and the expectation operator is applied to obtain the mean and deviation statistics. To demonstrate the feasibility of the formulation, a one-dimensional model of heat transfer phenomenon in superfluid flow through a porous media is considered. Results of this formulation agree well with the Monte-Carlo simulations and the analytical solutions. Although the numerical experiments are confined to parametric random variables, a formulation is presented to account for the random spatial variations.

  15. Boundary formulations for sensitivity analysis without matrix derivatives

    NASA Technical Reports Server (NTRS)

    Kane, J. H.; Guru Prasad, K.

    1993-01-01

    A new hybrid approach to continuum structural shape sensitivity analysis employing boundary element analysis (BEA) is presented. The approach uses iterative reanalysis to obviate the need to factor perturbed matrices in the determination of surface displacement and traction sensitivities via a univariate perturbation/finite difference (UPFD) step. The UPFD approach makes it possible to immediately reuse existing subroutines for computation of BEA matrix coefficients in the design sensitivity analysis process. The reanalysis technique computes economical response of univariately perturbed models without factoring perturbed matrices. The approach provides substantial computational economy without the burden of a large-scale reprogramming effort.

  16. Novel electrospun nanofibrous matrices prepared from poly(lactic acid)/poly(butylene adipate) blends for controlled release formulations of an anti-rheumatoid agent.

    PubMed

    Siafaka, Panoraia I; Barmbalexis, Panagiotis; Bikiaris, Dimitrios N

    2016-06-10

    In the present work, a series of novel formulations consisting of poly(lactic acid)/poly(butylene adipate) (PLA/PBAd) electrospun blends was examined as controlled release matrices for Leflunomide's active metabolite, Teriflunomide (TFL). The mixtures were prepared using different ratios of PLA and PBAd in order to produce nanofibrous matrices with different characteristics. Miscibility studies of the blended polymeric fibers were performed through differential scanning calorimetry (DSC) and X-ray diffractometry (XRD). Hydrolytic degradation in the prepared fibers was evaluated at 37°C using a phosphate buffered saline solution. Different concentrations of (TFL) (5, 10, 15wt.%) were incorporated into nanofibers for examining the drug release behavior in simulated body fluids (SBF), at 37°C. The drug-loaded nanofibrous formulations were further characterized by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy, DSC and XRD. Gel permeation chromatography (GPC) analysis was used to evaluate the mechanism of TFL release. Artificial neural networks (ANN) and multi-linear-regression (MLR) models were used to evaluate the effect of % content of PBAd (X1) and TFL (X2) on an initial burst effect and a dissolution behavior. It was found that PLA/PBAd nanofibers have different diameters depending on the ratio of used polyesters and added drug. TFL was incorporated in an amorphous form inside the polymeric nanofibers. In vitro release studies reveal that a drug release behavior is correlated with the size of the nanofibers, drug loading and matrix degradation after a specific time. ANN dissolution modeling showed increased correlation efficacy compared to MLR. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Hydrophilic thermoplastic polyurethanes for the manufacturing of highly dosed oral sustained release matrices via hot melt extrusion and injection molding.

    PubMed

    Verstraete, G; Van Renterghem, J; Van Bockstal, P J; Kasmi, S; De Geest, B G; De Beer, T; Remon, J P; Vervaet, C

    2016-06-15

    Hydrophilic aliphatic thermoplastic polyurethane (Tecophilic™ grades) matrices for high drug loaded oral sustained release dosage forms were formulated via hot melt extrusion/injection molding (HME/IM). Drugs with different aqueous solubility (diprophylline, theophylline and acetaminophen) were processed and their influence on the release kinetics was investigated. Moreover, the effect of Tecophilic™ grade, HME/IM process temperature, extrusion speed, drug load, injection pressure and post-injection pressure on in vitro release kinetics was evaluated for all model drugs. (1)H NMR spectroscopy indicated that all grades have different soft segment/hard segment ratios, allowing different water uptake capacities and thus different release kinetics. Processing temperature of the different Tecophilic™ grades was successfully predicted by using SEC and rheology. Tecophilic™ grades SP60D60, SP93A100 and TG2000 had a lower processing temperature than other grades and were further evaluated for the production of IM tablets. During HME/IM drug loads up to 70% (w/w) were achieved. In addition, Raman mapping and (M)DSC results confirmed the homogenous distribution of mainly crystalline API in all polymer matrices. Besides, hydrophilic TPU based formulations allowed complete and sustained release kinetics without using release modifiers. As release kinetics were mainly affected by drug load and the length of the PEO soft segment, this polymer platform offers a versatile formulation strategy to adjust the release rate of drugs with different aqueous solubility. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Matrix basis for plane and modal waves in a Timoshenko beam.

    PubMed

    Claeyssen, Julio Cesar Ruiz; Tolfo, Daniela de Rosso; Tonetto, Leticia

    2016-11-01

    Plane waves and modal waves of the Timoshenko beam model are characterized in closed form by introducing robust matrix basis that behave according to the nature of frequency and wave or modal numbers. These new characterizations are given in terms of a finite number of coupling matrices and closed form generating scalar functions. Through Liouville's technique, these latter are well behaved at critical or static situations. Eigenanalysis is formulated for exponential and modal waves. Modal waves are superposition of four plane waves, but there are plane waves that cannot be modal waves. Reflected and transmitted waves at an interface point are formulated in matrix terms, regardless of having a conservative or a dissipative situation. The matrix representation of modal waves is used in a crack problem for determining the reflected and transmitted matrices. Their euclidean norms are seen to be dominated by certain components at low and high frequencies. The matrix basis technique is also used with a non-local Timoshenko model and with the wave interaction with a boundary. The matrix basis allows to characterize reflected and transmitted waves in spectral and non-spectral form.

  19. Design sensitivity analysis of boundary element substructures

    NASA Technical Reports Server (NTRS)

    Kane, James H.; Saigal, Sunil; Gallagher, Richard H.

    1989-01-01

    The ability to reduce or condense a three-dimensional model exactly, and then iterate on this reduced size model representing the parts of the design that are allowed to change in an optimization loop is discussed. The discussion presents the results obtained from an ongoing research effort to exploit the concept of substructuring within the structural shape optimization context using a Boundary Element Analysis (BEA) formulation. The first part contains a formulation for the exact condensation of portions of the overall boundary element model designated as substructures. The use of reduced boundary element models in shape optimization requires that structural sensitivity analysis can be performed. A reduced sensitivity analysis formulation is then presented that allows for the calculation of structural response sensitivities of both the substructured (reduced) and unsubstructured parts of the model. It is shown that this approach produces significant computational economy in the design sensitivity analysis and reanalysis process by facilitating the block triangular factorization and forward reduction and backward substitution of smaller matrices. The implementatior of this formulation is discussed and timings and accuracies of representative test cases presented.

  20. Statistical model for the mechanical behavior of the tissue engineering non-woven fibrous matrices under large deformation.

    PubMed

    Rizvi, Mohd Suhail; Pal, Anupam

    2014-09-01

    The fibrous matrices are widely used as scaffolds for the regeneration of load-bearing tissues due to their structural and mechanical similarities with the fibrous components of the extracellular matrix. These scaffolds not only provide the appropriate microenvironment for the residing cells but also act as medium for the transmission of the mechanical stimuli, essential for the tissue regeneration, from macroscopic scale of the scaffolds to the microscopic scale of cells. The requirement of the mechanical loading for the tissue regeneration requires the fibrous scaffolds to be able to sustain the complex three-dimensional mechanical loading conditions. In order to gain insight into the mechanical behavior of the fibrous matrices under large amount of elongation as well as shear, a statistical model has been formulated to study the macroscopic mechanical behavior of the electrospun fibrous matrix and the transmission of the mechanical stimuli from scaffolds to the cells via the constituting fibers. The study establishes the load-deformation relationships for the fibrous matrices for different structural parameters. It also quantifies the changes in the fiber arrangement and tension generated in the fibers with the deformation of the matrix. The model reveals that the tension generated in the fibers on matrix deformation is not homogeneous and hence the cells located in different regions of the fibrous scaffold might experience different mechanical stimuli. The mechanical response of fibrous matrices was also found to be dependent on the aspect ratio of the matrix. Therefore, the model establishes a structure-mechanics interdependence of the fibrous matrices under large deformation, which can be utilized in identifying the appropriate structure and external mechanical loading conditions for the regeneration of load-bearing tissues. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. On the Frozen Soil Scheme for High Latitude Regions

    NASA Astrophysics Data System (ADS)

    Ganji, A.; Sushama, L.

    2014-12-01

    Regional and global climate model simulated streamflows for high-latitude regions show systematic biases, particularly in the timing and magnitude of spring peak flows. Though these biases could be related to the snow water equivalent and spring temperature biases in models, a good part of these biases is due to the unaccounted effects of non-uniform infiltration capacity of the frozen ground and other related processes. In this paper, the frozen scheme in the Canadian Land Surface Scheme (CLASS), which is used in the Canadian regional and global climate models, is modified to include fractional permeable area, supercooled liquid water and a new formulation for hydraulic conductivity. Interflow is also included in these experiments presented in this study to better explain the steamflows after snow melt season. The impact of these modifications on the regional hydrology, particularly streamflow, is assessed by comparing three simulations, performed with the original and two modified versions of CLASS, driven by atmospheric forcing data from the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis data (ERA-Interim), for the 1990-2001 period, over a northeast Canadian domain. The two modified versions of CLASS differ in the soil hydraulic conductivity and matric potential formulations, with one version being based on formulations from a previous study and the other one is newly proposed. Results suggest statistically significant decreases in infiltration for the simulation with the new hydraulic conductivity and matric potential formulations and fractional permeable area concept, compared to the original version of CLASS, which is also reflected in the increased spring surface runoff and streamflows in this simulation with modified CLASS, over most of the study domain. The simulated spring peaks and their timing in this simulation is also in better agreement to those observed.

  2. On improving cold region hydrological processes in the Canadian Land Surface Scheme

    NASA Astrophysics Data System (ADS)

    Ganji, Arman; Sushama, Laxmi; Verseghy, Diana; Harvey, Richard

    2017-01-01

    Regional and global climate model simulated streamflows for high-latitude regions show systematic biases, particularly in the timing and magnitude of spring peak flows. Though these biases could be related to the snow water equivalent and spring temperature biases in models, a good part of these biases is due to the unaccounted effects of non-uniform infiltration capacity of the frozen ground and other related processes. In this paper, the treatment of frozen water in the Canadian Land Surface Scheme (CLASS), which is used in the Canadian regional and global climate models, is modified to include fractional permeable area, supercooled liquid water and a new formulation for hydraulic conductivity. The impact of these modifications on the regional hydrology, particularly streamflow, is assessed by comparing three simulations performed with the original and two modified versions of CLASS, driven by atmospheric forcing data from the European Centre for Medium-Range Weather Forecast (ECMWF) reanalysis (ERA-Interim) for the 1990-2001 period over a northeast Canadian domain. The two modified versions of CLASS differ in the soil hydraulic conductivity and matric potential formulations, with one version being based on formulations from a previous study and the other one is newly proposed. Results suggest statistically significant decreases in infiltration and therefore soil moisture during the snowmelt season for the simulation with the new hydraulic conductivity and matric potential formulations and fractional permeable area concept compared to the original version of CLASS, which is also reflected in the increased spring surface runoff and streamflows in this simulation with modified CLASS over most of the study domain. The simulated spring peaks and their timing in this simulation are also in better agreement to those observed. This study thus demonstrates the importance of treatment of frozen water for realistic simulation of streamflows.

  3. A Finite Layer Formulation for Groundwater Flow to Horizontal Wells.

    PubMed

    Xu, Jin; Wang, Xudong

    2016-09-01

    A finite layer approach for the general problem of three-dimensional (3D) flow to horizontal wells in multilayered aquifer systems is presented, in which the unconfined flow can be taken into account. The flow is approximated by an integration of the standard finite element method in vertical direction and the analytical techniques in the other spatial directions. Because only the vertical discretization is involved, the horizontal wells can be completely contained in one specific nodal plane without discretization. Moreover, due to the analytical eigenfunctions introduced in the formulation, the weighted residual equations can be decoupled, and the formulas for the global matrices and flow vector corresponding to horizontal wells can be obtained explicitly. Consequently, the bandwidth of the global matrices and computational cost rising from 3D analysis can be significantly reduced. Two comparisons to the existing solutions are made to verify the validity of the formulation, including transient flow to horizontal wells in confined and unconfined aquifers. Furthermore, an additional numerical application to horizontal wells in three-layered systems is presented to demonstrate the applicability of the present method in modeling flow in more complex aquifer systems. © 2016, National Ground Water Association.

  4. A General Approach to Defining Latent Growth Components

    ERIC Educational Resources Information Center

    Mayer, Axel; Steyer, Rolf; Mueller, Horst

    2012-01-01

    We present a 3-step approach to defining latent growth components. In the first step, a measurement model with at least 2 indicators for each time point is formulated to identify measurement error variances and obtain latent variables that are purged from measurement error. In the second step, we use contrast matrices to define the latent growth…

  5. Bi-orthogonality relations for fluid-filled elastic cylindrical shells: Theory, generalisations and application to construct tailored Green's matrices

    NASA Astrophysics Data System (ADS)

    Ledet, Lasse S.; Sorokin, Sergey V.

    2018-03-01

    The paper addresses the classical problem of time-harmonic forced vibrations of a fluid-filled cylindrical shell considered as a multi-modal waveguide carrying infinitely many waves. The forced vibration problem is solved using tailored Green's matrices formulated in terms of eigenfunction expansions. The formulation of Green's matrix is based on special (bi-)orthogonality relations between the eigenfunctions, which are derived here for the fluid-filled shell. Further, the relations are generalised to any multi-modal symmetric waveguide. Using the orthogonality relations the transcendental equation system is converted into algebraic modal equations that can be solved analytically. Upon formulation of Green's matrices the solution space is studied in terms of completeness and convergence (uniformity and rate). Special features and findings exposed only through this modal decomposition method are elaborated and the physical interpretation of the bi-orthogonality relation is discussed in relation to the total energy flow which leads to derivation of simplified equations for the energy flow components.

  6. Drug release and swelling kinetics of directly compressed glipizide sustained-release matrices: establishment of level A IVIVC.

    PubMed

    Sankalia, Jolly M; Sankalia, Mayur G; Mashru, Rajashree C

    2008-07-02

    The purpose of this study was to examine a level A in vitro-in vivo correlation (IVIVC) for glipizide hydrophilic sustained-release matrices, with an acceptable internal predictability, in the presence of a range of formulation/manufacturing changes. The effect of polymeric blends of ethylcellulose, microcrystalline cellulose, hydroxypropylmethylcellulose, xanthan gum, guar gum, Starch 1500, and lactose on in vitro release profiles was studied and fitted to various release kinetics models. Water uptake kinetics with scanning electron microscopy (SEM) was carried out to support the drug release mechanism. An IVIVC was established by comparing the pharmacokinetic parameters of optimized (M-24) and marketed (Glytop-2.5 SR) formulations after single oral dose studies on white albino rabbits. The matrix M-19 (xanthan:MCC PH301 at 70:40) and M-24 (xanthan:HPMC K4M:Starch 1500 at 70:25:15) showed the glipizide release within the predetermined constraints at all time points with Korsmeyer-Peppas' and zero-order release mechanism, respectively. Kopcha model revealed that the xanthan gum is the major excipient responsible for the diffusional release profile and was further supported by SEM and swelling studies. A significant level A IVIVC with acceptable limits of prediction errors (below 15%) enables the prediction of in vivo performance from their in vitro release profile. It was concluded that proper selection of rate-controlling polymers with release rate modifier excipients will determine overall release profile, duration and mechanism from directly compressed matrices.

  7. A novel stimuli-synchronized alloy-treated matrix for space-defined gastrointestinal delivery of mesalamine in the Large White pig model.

    PubMed

    Bawa, Priya; Choonara, Yahya E; du Toit, Lisa C; Kumar, Pradeep; Ndesendo, Valence M K; Meyer, Leith C R; Pillay, Viness

    2013-03-28

    The study focussed on designing a Stimuli-Synchronized Matrix (SSM) for space-defined colonic delivery of the anti-inflammatory drug mesalamine. The configured matrix provided time-independent delivery and stimuli targeting. Formulations were optimized according to a Box-Behnken experimental design that constituted mesalamine-loaded BaSO4-crosslinked chitosan dispersed within a pectin, carboxymethylcellulose and xanthan gum complex. The complex was compressed into matrices and subsequently alloy-treated with pectin and ethylcellulose. In vitro drug release was determined in the presence and absence of colonic enzymes and the mean dissolution time was used for formulation optimization. To mechanistically elucidate the synchronous catalytic action of the enzymes pectinase and glucosidase on the matrix, computer-aided 3D modelling of active fractions of the enzyme-substrate complexes was generated to predict the orientation of residues affecting the substrate domain. Drug release profiles revealed distinct colonic enzyme responsiveness with fractions of 0.402 and 0.152 of mesalamine released in the presence and absence of enzymes, respectively after 24h. The commercial comparator product showed irreproducible release profiles over the same period (SD=0.550) compared to the SSM formulation (SD=0.037). FTIR spectra of alloy-treated matrices showed no peaks from 1589 to 1512cm(-1) after colonic enzyme exposure. With increasing enzyme exposure there were also no peaks between 1646 and 1132cm(-1). This indicated polymeric enzyme cleavage for controlled and space-defined release of mesalamine. Plasma concentration profiles in the Large White pig model produced a Cmax of 3.77±1.375μg/mL compared to 10.604±2.846μg/mL for the comparator formulation. The SSM formulation proved superior over the comparator product by providing superiorly controlled enzyme-responsive colonic drug delivery. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. A comparative study between melt granulation/compression and hot melt extrusion/injection molding for the manufacturing of oral sustained release thermoplastic polyurethane matrices.

    PubMed

    Verstraete, G; Mertens, P; Grymonpré, W; Van Bockstal, P J; De Beer, T; Boone, M N; Van Hoorebeke, L; Remon, J P; Vervaet, C

    2016-11-20

    During this project 3 techniques (twin screw melt granulation/compression (TSMG), hot melt extrusion (HME) and injection molding (IM)) were evaluated for the manufacturing of thermoplastic polyurethane (TPU)-based oral sustained release matrices, containing a high dose of the highly soluble metformin hydrochloride. Whereas formulations with a drug load between 0 and 70% (w/w) could be processed via HME/(IM), the drug content of granules prepared via melt granulation could only be varied between 85 and 90% (w/w) as these formulations contained the proper concentration of binder (i.e. TPU) to obtain a good size distribution of the granules. While release from HME matrices and IM tablets could be sustained over 24h, release from the TPU-based TSMG tablets was too fast (complete release within about 6h) linked to their higher drug load and porosity. By mixing hydrophilic and hydrophobic TPUs the in vitro release kinetics of both formulations could be adjusted: a higher content of hydrophobic TPU was correlated with a slower release rate. Although mini-matrices showed faster release kinetics than IM tablets, this observation was successfully countered by changing the hydrophobic/hydrophilic TPU ratio. In vivo experiments via oral administration to dogs confirmed the versatile potential of the TPU platform as intermediate-strong and low-intermediate sustained characteristics were obtained for the IM tablets and HME mini-matrices, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Continuous production of controlled release dosage forms based on hot-melt extruded gum arabic: Formulation development, in vitro characterization and evaluation of potential application fields.

    PubMed

    Kipping, Thomas; Rein, Hubert

    2016-01-30

    Controlled release matrices based on gum arabic are prepared by applying a continuous hot-melt extrusion technology: the pre-mixture consisting of gum arabic and the incorporated API is plasticized by a co-rotating twin-screw extruder, an intermediate strand is formed by a round nozzle. Single dosed matrices are prepared by cutting the semi elastic strand with a rotary fly cutter. Paracetamol and phenazone are used as model drug substances. High drug loadings up to 70% can be realized. Matrices are characterized concerning their crystalline structure, in vitro dissolution, disintegration time and various physical parameters including glass transition temperature (Tg). Release characteristic behavior is mainly influenced by erosion of the matrices. At higher drug loadings also diffusion based transport gain importance. The solubility of the API shows an influence on the erosion rate of the matrix and should therefore be considered during formulation development. Tg is mainly influenced by the solubility of the API in the surrounding matrix. High soluble phenazone shows a decrease, whereas paracetamol addition has nearly no influence on the Tg of the polymeric system. Activation energy (EA) of the glass transition is determined via dynamic mechanical analysis. The addition of APIs leads to a reduction of EA indicating an increased molecular movement at Tg region compared to placebo extrudates. X-ray diffraction is used to determine the crystalline state of the extruded matrices and interaction between matrix and incorporated APIs. The production of thin layer matrices is an interesting option to provide a fast drug delivery to the oral cavity. High mechanical strength combined with fast disintegration times can be a great advantage for the development of oro-dispersible tablets. A great benefit of the evaluated processing technology is the simple adaption of the final dose by varying either the cutting length or the diameter of the nozzle resulting in a cost-effective production of single dosed matrices without modification of the base formula. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Matrix basis for plane and modal waves in a Timoshenko beam

    PubMed Central

    Tolfo, Daniela de Rosso; Tonetto, Leticia

    2016-01-01

    Plane waves and modal waves of the Timoshenko beam model are characterized in closed form by introducing robust matrix basis that behave according to the nature of frequency and wave or modal numbers. These new characterizations are given in terms of a finite number of coupling matrices and closed form generating scalar functions. Through Liouville’s technique, these latter are well behaved at critical or static situations. Eigenanalysis is formulated for exponential and modal waves. Modal waves are superposition of four plane waves, but there are plane waves that cannot be modal waves. Reflected and transmitted waves at an interface point are formulated in matrix terms, regardless of having a conservative or a dissipative situation. The matrix representation of modal waves is used in a crack problem for determining the reflected and transmitted matrices. Their euclidean norms are seen to be dominated by certain components at low and high frequencies. The matrix basis technique is also used with a non-local Timoshenko model and with the wave interaction with a boundary. The matrix basis allows to characterize reflected and transmitted waves in spectral and non-spectral form. PMID:28018668

  11. Application of p-Multigrid to Discontinuous Galerkin Formulations of the Poisson Equation

    NASA Technical Reports Server (NTRS)

    Helenbrook, B. T.; Atkins, H. L.

    2006-01-01

    We investigate p-multigrid as a solution method for several different discontinuous Galerkin (DG) formulations of the Poisson equation. Different combinations of relaxation schemes and basis sets have been combined with the DG formulations to find the best performing combination. The damping factors of the schemes have been determined using Fourier analysis for both one and two-dimensional problems. One important finding is that when using DG formulations, the standard approach of forming the coarse p matrices separately for each level of multigrid is often unstable. To ensure stability the coarse p matrices must be constructed from the fine grid matrices using algebraic multigrid techniques. Of the relaxation schemes, we find that the combination of Jacobi relaxation with the spectral element basis is fairly effective. The results using this combination are p sensitive in both one and two dimensions, but reasonable convergence rates can still be achieved for moderate values of p and isotropic meshes. A competitive alternative is a block Gauss-Seidel relaxation. This actually out performs a more expensive line relaxation when the mesh is isotropic. When the mesh becomes highly anisotropic, the implicit line method and the Gauss-Seidel implicit line method are the only effective schemes. Adding the Gauss-Seidel terms to the implicit line method gives a significant improvement over the line relaxation method.

  12. On Hybrid and mixed finite element methods

    NASA Technical Reports Server (NTRS)

    Pian, T. H. H.

    1981-01-01

    Three versions of the assumed stress hybrid model in finite element methods and the corresponding variational principles for the formulation are presented. Examples of rank deficiency for stiffness matrices by the hybrid stress model are given and their corresponding kinematic deformation modes are identified. A discussion of the derivation of general semi-Loof elements for plates and shells by the hybrid stress method is given. It is shown that the equilibrium model by Fraeijs de Veubeke can be derived by the approach of the hybrid stress model as a special case of semi-Loof elements.

  13. Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

    PubMed

    Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

    2018-02-01

    Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted more changes. Size exclusion chromatography analysis depicted the complete dissolution of BSA in the aqueous media employed in the wet granulation method. In conclusion, an ATR FT-IR spectroscopic method was successfully developed to investigate BSA secondary structure in solid lipid matrices following the subtraction of lipid spectral interference. The ATR FT-IR spectroscopy could further be applied to investigate the secondary structure perturbations of therapeutic proteins during their formulation development.

  14. Normal response function method for mass and stiffness matrix updating using complex FRFs

    NASA Astrophysics Data System (ADS)

    Pradhan, S.; Modak, S. V.

    2012-10-01

    Quite often a structural dynamic finite element model is required to be updated so as to accurately predict the dynamic characteristics like natural frequencies and the mode shapes. Since in many situations undamped natural frequencies and mode shapes need to be predicted, it has generally been the practice in these situations to seek updating of only mass and stiffness matrix so as to obtain a reliable prediction model. Updating using frequency response functions (FRFs) has been one of the widely used approaches for updating, including updating of mass and stiffness matrices. However, the problem with FRF based methods, for updating mass and stiffness matrices, is that these methods are based on use of complex FRFs. Use of complex FRFs to update mass and stiffness matrices is not theoretically correct as complex FRFs are not only affected by these two matrices but also by the damping matrix. Therefore, in situations where updating of only mass and stiffness matrices using FRFs is required, the use of complex FRFs based updating formulation is not fully justified and would lead to inaccurate updated models. This paper addresses this difficulty and proposes an improved FRF based finite element model updating procedure using the concept of normal FRFs. The proposed method is a modified version of the existing response function method that is based on the complex FRFs. The effectiveness of the proposed method is validated through a numerical study of a simple but representative beam structure. The effect of coordinate incompleteness and robustness of method under presence of noise is investigated. The results of updating obtained by the improved method are compared with the existing response function method. The performance of the two approaches is compared for cases of light, medium and heavily damped structures. It is found that the proposed improved method is effective in updating of mass and stiffness matrices in all the cases of complete and incomplete data and with all levels and types of damping.

  15. Rigorous joining of advanced reduced-dimensional beam models to three-dimensional finite element models

    NASA Astrophysics Data System (ADS)

    Song, Huimin

    In the aerospace and automotive industries, many finite element analyses use lower-dimensional finite elements such as beams, plates and shells, to simplify the modeling. These simplified models can greatly reduce the computation time and cost; however, reduced-dimensional models may introduce inaccuracies, particularly near boundaries and near portions of the structure where reduced-dimensional models may not apply. Another factor in creation of such models is that beam-like structures frequently have complex geometry, boundaries and loading conditions, which may make them unsuitable for modeling with single type of element. The goal of this dissertation is to develop a method that can accurately and efficiently capture the response of a structure by rigorous combination of a reduced-dimensional beam finite element model with a model based on full two-dimensional (2D) or three-dimensional (3D) finite elements. The first chapter of the thesis gives the background of the present work and some related previous work. The second chapter is focused on formulating a system of equations that govern the joining of a 2D model with a beam model for planar deformation. The essential aspect of this formulation is to find the transformation matrices to achieve deflection and load continuity on the interface. Three approaches are provided to obtain the transformation matrices. An example based on joining a beam to a 2D finite element model is examined, and the accuracy of the analysis is studied by comparing joint results with the full 2D analysis. The third chapter is focused on formulating the system of equations for joining a beam to a 3D finite element model for static and free-vibration problems. The transition between the 3D elements and beam elements is achieved by use of the stress recovery technique of the variational-asymptotic method as implemented in VABS (the Variational Asymptotic Beam Section analysis). The formulations for an interface transformation matrix and the generalized Timoshenko beam are discussed in this chapter. VABS is also used to obtain the beam constitutive properties and warping functions for stress recovery. Several 3D-beam joint examples are presented to show the convergence and accuracy of the analysis. Accuracy is accessed by comparing the joint results with the full 3D analysis. The fourth chapter provides conclusions from present studies and recommendations for future work.

  16. Classical r-matrices for the generalised Chern–Simons formulation of 3d gravity

    NASA Astrophysics Data System (ADS)

    Osei, Prince K.; Schroers, Bernd J.

    2018-04-01

    We study the conditions for classical r-matrices to be compatible with the generalised Chern–Simons action for 3d gravity. Compatibility means solving the classical Yang–Baxter equations with a prescribed symmetric part for each of the real Lie algebras and bilinear pairings arising in the generalised Chern–Simons action. We give a new construction of r-matrices via a generalised complexification and derive a non-linear set of matrix equations determining the most general compatible r-matrix. We exhibit new families of solutions and show that they contain some known r-matrices for special parameter values.

  17. A novel pH-responsive interpolyelectrolyte hydrogel complex for the oral delivery of levodopa. Part II: characterization and formulation of an IPEC-based tablet matrix.

    PubMed

    Ngwuluka, Ndidi C; Choonara, Yahya E; Kumar, Pradeep; du Toit, Lisa C; Khan, Riaz A; Pillay, Viness

    2015-03-01

    This study was undertaken in order to apply a synthesized interpolyelectrolyte complex (IPEC) of polymethacrylate and carboxymethylcellulose as a controlled release oral tablet matrix for the delivery of the model neuroactive drug levodopa. The IPEC (synthesized in Part I of this work) was characterized by techniques such as Fourier Transform Infra-Red (FTIR) spectroscopy, Differential Scanning Calorimetry (DSC), Advanced DSC (ADSC), and Scanning Electron Microscopy (SEM). The tablet matrices were formulated and characterized for their drug delivery properties and in vitro drug release. FTIR confirmed the interaction between the two polymers. The IPEC composite generated tablet matrices with a hardness ranging from 19.152-27.590 N/mm and a matrix resilience ranging between 42 and 46%. An IPEC of polymethacrylate and carboxymethylcellulose was indeed an improvement on the inherent properties of the native polymers providing a biomaterial with the ability to release poorly soluble drugs such as levodopa at a constant rate over a prolonged period of time. © 2014 Wiley Periodicals, Inc.

  18. Probabilistic Structures Analysis Methods (PSAM) for select space propulsion system components

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The basic formulation for probabilistic finite element analysis is described and demonstrated on a few sample problems. This formulation is based on iterative perturbation that uses the factorized stiffness on the unperturbed system as the iteration preconditioner for obtaining the solution to the perturbed problem. This approach eliminates the need to compute, store and manipulate explicit partial derivatives of the element matrices and force vector, which not only reduces memory usage considerably, but also greatly simplifies the coding and validation tasks. All aspects for the proposed formulation were combined in a demonstration problem using a simplified model of a curved turbine blade discretized with 48 shell elements, and having random pressure and temperature fields with partial correlation, random uniform thickness, and random stiffness at the root.

  19. An exact formulation of the time-ordered exponential using path-sums

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

    Giscard, P.-L., E-mail: p.giscard1@physics.ox.ac.uk; Lui, K.; Thwaite, S. J.

    2015-05-15

    We present the path-sum formulation for the time-ordered exponential of a time-dependent matrix. The path-sum formulation gives the time-ordered exponential as a branched continued fraction of finite depth and breadth. The terms of the path-sum have an elementary interpretation as self-avoiding walks and self-avoiding polygons on a graph. Our result is based on a representation of the time-ordered exponential as the inverse of an operator, the mapping of this inverse to sums of walks on a graphs, and the algebraic structure of sets of walks. We give examples demonstrating our approach. We establish a super-exponential decay bound for the magnitudemore » of the entries of the time-ordered exponential of sparse matrices. We give explicit results for matrices with commonly encountered sparse structures.« less

  20. On Reconstruction of a Matrix by Its Minors

    ERIC Educational Resources Information Center

    Akhtyamov, Azamat; Amram, Meirav; Mouftakhov, Artour

    2018-01-01

    In this paper, we reconstruct matrices from their minors, and give explicit formulas for the reconstruction of matrices of orders 2 × 3, 2 × 4, 2 × n, 3 × 6 and m × n. We also formulate the Plücker relations, which are the conditions of the existence of a matrix related to its given minors.

  1. On reconstruction of a matrix by its minors

    NASA Astrophysics Data System (ADS)

    Akhtyamov, Azamat; Amram, Meirav; Mouftakhov, Artour

    2018-02-01

    In this paper, we reconstruct matrices from their minors, and give explicit formulas for the reconstruction of matrices of orders 2 × 3, 2 × 4, 2 × n, 3 × 6 and m × n. We also formulate the Plücker relations, which are the conditions of the existence of a matrix related to its given minors.

  2. Multidisciplinary analysis of actively controlled large flexible spacecraft

    NASA Technical Reports Server (NTRS)

    Cooper, Paul A.; Young, John W.; Sutter, Thomas R.

    1986-01-01

    The control of Flexible Structures (COFS) program has supported the development of an analysis capability at the Langley Research Center called the Integrated Multidisciplinary Analysis Tool (IMAT) which provides an efficient data storage and transfer capability among commercial computer codes to aid in the dynamic analysis of actively controlled structures. IMAT is a system of computer programs which transfers Computer-Aided-Design (CAD) configurations, structural finite element models, material property and stress information, structural and rigid-body dynamic model information, and linear system matrices for control law formulation among various commercial applications programs through a common database. Although general in its formulation, IMAT was developed specifically to aid in the evaluation of the structures. A description of the IMAT system and results of an application of the system are given.

  3. Linear discriminant analysis with misallocation in training samples

    NASA Technical Reports Server (NTRS)

    Chhikara, R. (Principal Investigator); Mckeon, J.

    1982-01-01

    Linear discriminant analysis for a two-class case is studied in the presence of misallocation in training samples. A general appraoch to modeling of mislocation is formulated, and the mean vectors and covariance matrices of the mixture distributions are derived. The asymptotic distribution of the discriminant boundary is obtained and the asymptotic first two moments of the two types of error rate given. Certain numerical results for the error rates are presented by considering the random and two non-random misallocation models. It is shown that when the allocation procedure for training samples is objectively formulated, the effect of misallocation on the error rates of the Bayes linear discriminant rule can almost be eliminated. If, however, this is not possible, the use of Fisher rule may be preferred over the Bayes rule.

  4. TRANSPOSABLE REGULARIZED COVARIANCE MODELS WITH AN APPLICATION TO MISSING DATA IMPUTATION

    PubMed Central

    Allen, Genevera I.; Tibshirani, Robert

    2015-01-01

    Missing data estimation is an important challenge with high-dimensional data arranged in the form of a matrix. Typically this data matrix is transposable, meaning that either the rows, columns or both can be treated as features. To model transposable data, we present a modification of the matrix-variate normal, the mean-restricted matrix-variate normal, in which the rows and columns each have a separate mean vector and covariance matrix. By placing additive penalties on the inverse covariance matrices of the rows and columns, these so called transposable regularized covariance models allow for maximum likelihood estimation of the mean and non-singular covariance matrices. Using these models, we formulate EM-type algorithms for missing data imputation in both the multivariate and transposable frameworks. We present theoretical results exploiting the structure of our transposable models that allow these models and imputation methods to be applied to high-dimensional data. Simulations and results on microarray data and the Netflix data show that these imputation techniques often outperform existing methods and offer a greater degree of flexibility. PMID:26877823

  5. TRANSPOSABLE REGULARIZED COVARIANCE MODELS WITH AN APPLICATION TO MISSING DATA IMPUTATION.

    PubMed

    Allen, Genevera I; Tibshirani, Robert

    2010-06-01

    Missing data estimation is an important challenge with high-dimensional data arranged in the form of a matrix. Typically this data matrix is transposable , meaning that either the rows, columns or both can be treated as features. To model transposable data, we present a modification of the matrix-variate normal, the mean-restricted matrix-variate normal , in which the rows and columns each have a separate mean vector and covariance matrix. By placing additive penalties on the inverse covariance matrices of the rows and columns, these so called transposable regularized covariance models allow for maximum likelihood estimation of the mean and non-singular covariance matrices. Using these models, we formulate EM-type algorithms for missing data imputation in both the multivariate and transposable frameworks. We present theoretical results exploiting the structure of our transposable models that allow these models and imputation methods to be applied to high-dimensional data. Simulations and results on microarray data and the Netflix data show that these imputation techniques often outperform existing methods and offer a greater degree of flexibility.

  6. A systematic linear space approach to solving partially described inverse eigenvalue problems

    NASA Astrophysics Data System (ADS)

    Hu, Sau-Lon James; Li, Haujun

    2008-06-01

    Most applications of the inverse eigenvalue problem (IEP), which concerns the reconstruction of a matrix from prescribed spectral data, are associated with special classes of structured matrices. Solving the IEP requires one to satisfy both the spectral constraint and the structural constraint. If the spectral constraint consists of only one or few prescribed eigenpairs, this kind of inverse problem has been referred to as the partially described inverse eigenvalue problem (PDIEP). This paper develops an efficient, general and systematic approach to solve the PDIEP. Basically, the approach, applicable to various structured matrices, converts the PDIEP into an ordinary inverse problem that is formulated as a set of simultaneous linear equations. While solving simultaneous linear equations for model parameters, the singular value decomposition method is applied. Because of the conversion to an ordinary inverse problem, other constraints associated with the model parameters can be easily incorporated into the solution procedure. The detailed derivation and numerical examples to implement the newly developed approach to symmetric Toeplitz and quadratic pencil (including mass, damping and stiffness matrices of a linear dynamic system) PDIEPs are presented. Excellent numerical results for both kinds of problem are achieved under the situations that have either unique or infinitely many solutions.

  7. Beyond Low Rank + Sparse: Multi-scale Low Rank Matrix Decomposition

    PubMed Central

    Ong, Frank; Lustig, Michael

    2016-01-01

    We present a natural generalization of the recent low rank + sparse matrix decomposition and consider the decomposition of matrices into components of multiple scales. Such decomposition is well motivated in practice as data matrices often exhibit local correlations in multiple scales. Concretely, we propose a multi-scale low rank modeling that represents a data matrix as a sum of block-wise low rank matrices with increasing scales of block sizes. We then consider the inverse problem of decomposing the data matrix into its multi-scale low rank components and approach the problem via a convex formulation. Theoretically, we show that under various incoherence conditions, the convex program recovers the multi-scale low rank components either exactly or approximately. Practically, we provide guidance on selecting the regularization parameters and incorporate cycle spinning to reduce blocking artifacts. Experimentally, we show that the multi-scale low rank decomposition provides a more intuitive decomposition than conventional low rank methods and demonstrate its effectiveness in four applications, including illumination normalization for face images, motion separation for surveillance videos, multi-scale modeling of the dynamic contrast enhanced magnetic resonance imaging and collaborative filtering exploiting age information. PMID:28450978

  8. Nonequilibrium flow computations. 1: An analysis of numerical formulations of conservation laws

    NASA Technical Reports Server (NTRS)

    Liu, Yen; Vinokur, Marcel

    1988-01-01

    Modern numerical techniques employing properties of flux Jacobian matrices are extended to general, nonequilibrium flows. Generalizations of the Beam-Warming scheme, Steger-Warming and van Leer Flux-vector splittings, and Roe's approximate Riemann solver are presented for 3-D, time-varying grids. The analysis is based on a thermodynamic model that includes the most general thermal and chemical nonequilibrium flow of an arbitrary gas. Various special cases are also discussed.

  9. The exposure of honey bees (Apis mellifera; Hymenoptera: Apidae) to pesticides: Room for improvement in research.

    PubMed

    Benuszak, Johanna; Laurent, Marion; Chauzat, Marie-Pierre

    2017-06-01

    Losses of honey bees have been repeatedly reported from many places worldwide. The widespread use of synthetic pesticides has led to concerns regarding their environmental fate and their effects on pollinators. Based on a standardised review, we report the use of a wide variety of honey bee matrices and sampling methods in the scientific papers studying pesticide exposure. Matrices such as beeswax and beebread were very little analysed despite their capacities for long-term pesticide storage. Moreover, bioavailability and transfer between in-hive matrices were poorly understood and explored. Many pesticides were studied but interactions between molecules or with other stressors were lacking. Sampling methods, targeted matrices and units of measure should have been, to some extent, standardised between publications to ease comparison and cross checking. Data on honey bee exposure to pesticides would have also benefit from the use of commercial formulations in experiments instead of active ingredients, with a special assessment of co-formulants (quantitative exposure and effects). Finally, the air matrix within the colony must be explored in order to complete current knowledge on honey bee pesticide exposure. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Kondogogu gum-Zn+2-pectinate emulgel matrices reinforced with mesoporous silica for intragastric furbiprofen delivery.

    PubMed

    Bera, Hriday; Nadimpalli, Jhansirani; Kumar, Sanoj; Vengala, Pavani

    2017-11-01

    Flurbiprofen (FLU), a non-steroidal anti-inflammatory drug, exhibits limited clinical response due to its poor physicochemical properties. This study aimed at developing reliable drug carriers for intrgastric FLU delivery with a view to improve biopharmaceutical characteristics of drug and modulate its release in a controlled manner. In this context, FLU-loaded kondogogu gum (KG)-Zn +2 -low methoxyl (LM) pectinate emulgel matrices reinforced with calcium silicate (CS) were accomplished by ionotropic gelation technique employing zinc acetate as cross-linker and characterized for their in vitro performances. All the formulations demonstrated excellent drug encapsulation efficiency (DEE, 46-87%) and sustained drug release behavior (Q 7h , 70-91%). These quality attributes were remarkably influenced by polymer-blend (LM pectin:KG) ratios, low-density oil types and CS inclusion. The drug release profile of the FLU-loaded optimized matrices (F-7) was best fitted in Korsmeyer-Peppas model with Fickian diffusion driven mechanism. It also conferred excellent in vitro gastroretention capabilities. Moreover, the drug-excipient compatibility, alteration of crystallinity and thermal behavior of drug and surface morphology of matrices were evidenced with the results of FTIR, XRD, DSC and SEM analyses, respectively. Thus, the newly developed matrices are appropriate for sustained intragastric FLU delivery and simultaneous zinc supplementation for effective inflammation and arthritis management. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Non-equilibrium many-body dynamics following a quantum quench

    NASA Astrophysics Data System (ADS)

    Vyas, Manan

    2017-12-01

    We study analytically and numerically the non-equilibrium dynamics of an isolated interacting many-body quantum system following a random quench. We model the system Hamiltonian by Embedded Gaussian Orthogonal Ensemble (EGOE) of random matrices with one plus few-body interactions for fermions. EGOE are paradigmatic models to study the crossover from integrability to chaos in interacting many-body quantum systems. We obtain a generic formulation, based on spectral variances, for describing relaxation dynamics of survival probabilities as a function of rank of interactions. Our analytical results are in good agreement with numerics.

  12. Development and experimental design of a novel controlled-release matrix tablet formulation for indapamide hemihydrate.

    PubMed

    Antovska, Packa; Ugarkovic, Sonja; Petruševski, Gjorgji; Stefanova, Bosilka; Manchevska, Blagica; Petkovska, Rumenka; Makreski, Petre

    2017-11-01

    Development, experimental design and in vitro in vivo correlation (IVIVC) of controlled-release matrix formulation. Development of novel oral controlled delivery system for indapamide hemihydrate, optimization of the formulation by experimental design and evaluation regarding IVIVC on a pilot scale batch as a confirmation of a well-established formulation. In vitro dissolution profiles of controlled-release tablets of indapamide hemihydrate from four different matrices had been evaluated in comparison to the originator's product Natrilix (Servier) as a direction for further development and optimization of a hydroxyethylcellulose-based matrix controlled-release formulation. A central composite factorial design had been applied for the optimization of a chosen controlled-release tablet formulation. The controlled-release tablets with appropriate physical and technological properties had been obtained with a matrix: binder concentration variations in the range: 20-40w/w% for the matrix and 1-3w/w% for the binder. The experimental design had defined the design space for the formulation and was prerequisite for extraction of a particular formulation that would be a subject for transfer on pilot scale and IVIV correlation. The release model of the optimized formulation has shown best fit to the zero order kinetics depicted with the Hixson-Crowell erosion-dependent mechanism of release. Level A correlation was obtained.

  13. Transition properties from the Hermitian formulation of the coupled cluster polarization propagator

    NASA Astrophysics Data System (ADS)

    Tucholska, Aleksandra M.; Modrzejewski, Marcin; Moszynski, Robert

    2014-09-01

    Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained and implemented with the coupled cluster method limited to single, double, and linear triple excitations (CC3). Selected dipole and quadrupole transition probabilities of the alkali earth atoms, computed with the new transition density matrices are compared to the experimental data. Good agreement between theory and experiment is found. The results obtained with the new approach are of the same quality as the results obtained with the linear response coupled cluster theory. The one-electron density matrices for the ground state in the CC3 approximation have also been implemented. The dipole moments for a few representative diatomic molecules have been computed with several variants of the new approach, and the results are discussed to choose the approximation with the best balance between the accuracy and computational efficiency.

  14. Supervised Gamma Process Poisson Factorization

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

    Anderson, Dylan Zachary

    This thesis develops the supervised gamma process Poisson factorization (S- GPPF) framework, a novel supervised topic model for joint modeling of count matrices and document labels. S-GPPF is fully generative and nonparametric: document labels and count matrices are modeled under a uni ed probabilistic framework and the number of latent topics is controlled automatically via a gamma process prior. The framework provides for multi-class classification of documents using a generative max-margin classifier. Several recent data augmentation techniques are leveraged to provide for exact inference using a Gibbs sampling scheme. The first portion of this thesis reviews supervised topic modeling andmore » several key mathematical devices used in the formulation of S-GPPF. The thesis then introduces the S-GPPF generative model and derives the conditional posterior distributions of the latent variables for posterior inference via Gibbs sampling. The S-GPPF is shown to exhibit state-of-the-art performance for joint topic modeling and document classification on a dataset of conference abstracts, beating out competing supervised topic models. The unique properties of S-GPPF along with its competitive performance make it a novel contribution to supervised topic modeling.« less

  15. Novel sustained-release dosage forms of proteins using polyglycerol esters of fatty acids.

    PubMed

    Yamagata, Y; Iga, K; Ogawa, Y

    2000-02-03

    In order to develop a novel delivery system for proteins based on polyglycerol esters of fatty acids (PGEFs), we studied a model system using interferon-alpha (IFN-alpha) as the test protein. A cylindrical matrix was prepared by a heat extrusion technique using a lyophilized powder of the protein and 11 different types of synthetic PGEFs, which varied in degree of glycerol polymerization (di- and tetra-), chain length of fatty acids (myristate, palmitate and stearate) and degree of fatty acid esterification (mono-, di- and tri-). In an in-vitro release study using an enzyme-linked immunosorbent assay (ELISA) as a detection method, the matrices prepared from a monoglyceride (used for comparison) and from diglycerol esters exhibited a biphasic release pattern with a large initial burst followed by slow release. In contrast, the matrices prepared from tetraglycerol esters showed a steady rate of release without a large initial burst. In an in vivo release study, initial bursts of IFN-alpha release were, also, dramatically reduced when the matrices were prepared from the tetraglycerol esters of palmitate and stearate, and the mean residence time (MRT) of IFN-alpha was prolonged, whereas the matrices prepared from monoglyceride and from diglycerol esters showed large initial bursts of IFN-alpha release. Since the release rates from the matrices prepared from the tetraglycerol esters of palmitate and stearate were governed by Jander's equation modified for a cylindrical matrix, the release from those matrices was concluded to be a diffusion-controlled process. The bioavailability of IFN-alpha after implantation of the matrix formulation prepared using all types of PGEFs, except for tetraglycerol triesters, was almost equivalent to that after injection of IFN-alpha solution; consequently, IFN-alpha in these matrices appears to remain stable during the release period.

  16. Nouvelles bornes et estimations pour les milieux poreux à matrice rigide parfaitement plastique

    NASA Astrophysics Data System (ADS)

    Bilger, Nicolas; Auslender, François; Bornert, Michel; Masson, Renaud

    We derive new rigorous bounds and self-consistent estimates for the effective yield surface of porous media with a rigid perfectly plastic matrix and a microstructure similar to Hashin's composite spheres assemblage. These results arise from a homogenisation technique that combines a pattern-based modelling for linear composite materials and a variational formulation for nonlinear media. To cite this article: N. Bilger et al., C. R. Mecanique 330 (2002) 127-132.

  17. Study of modal coupling procedures for the shuttle: A matrix method for damping synthesis

    NASA Technical Reports Server (NTRS)

    Hasselman, T. K.

    1972-01-01

    The damping method was applied successfully to real structures as well as analytical models. It depends on the ability to determine an appropriate modal damping matrix for each substructure. In the past, modal damping matrices were assumed diagonal for lack of being able to determine the coupling terms which are significant in the general case of nonproportional damping. This problem was overcome by formulating the damped equations of motion as a linear perturbation of the undamped equations for light structural damping. Damped modes are defined as complex vectors derived from the complex frequency response vectors of each substructure and are obtained directly from sinusoidal vibration tests. The damped modes are used to compute first order approximations to the modal damping matrices. The perturbation approach avoids ever having to solve a complex eigenvalue problem.

  18. Robustness of linear quadratic state feedback designs in the presence of system uncertainty. [application to Augmentor Wing Jet STOL Research Aircraft flare control autopilot design

    NASA Technical Reports Server (NTRS)

    Patel, R. V.; Toda, M.; Sridhar, B.

    1977-01-01

    The paper deals with the problem of expressing the robustness (stability) property of a linear quadratic state feedback (LQSF) design quantitatively in terms of bounds on the perturbations (modeling errors or parameter variations) in the system matrices so that the closed-loop system remains stable. Nonlinear time-varying and linear time-invariant perturbations are considered. The only computation required in obtaining a measure of the robustness of an LQSF design is to determine the eigenvalues of two symmetric matrices determined when solving the algebraic Riccati equation corresponding to the LQSF design problem. Results are applied to a complex dynamic system consisting of the flare control of a STOL aircraft. The design of the flare control is formulated as an LQSF tracking problem.

  19. Electrospun matrices for localised controlled drug delivery: release of tetracycline hydrochloride from layers of polycaprolactone and poly(ethylene-co-vinyl acetate).

    PubMed

    Alhusein, Nour; Blagbrough, Ian S; De Bank, Paul A

    2012-12-01

    We report the controlled release of tetracycline (Tet) HCl from a three-layered electrospun matrix for the first time. Five formulations of electrospun poly-ε-caprolactone (PCL) and poly(ethylene-co-vinyl acetate) (PEVA) have been designed, prepared as micro/nanofibre layers, and assayed for the controlled release of the clinically useful antibiotic Tet HCl with potential applications in wound healing and especially in complicated skin and skin-structure infections. Tet HCl was also chosen as a model drug possessing a good ultraviolet (UV) chromophore and capable of fluorescence together with limited stability. Tet HCl was successfully incorporated (essentially quantitatively at 3 %, w/w) and provided controlled release from multilayered electrospun matrices. The Tet HCl release test was carried out by a total immersion method on 2 × 2 cm(2) electrospun fibrous mats in Tris or phosphate-buffered saline heated to 37 °C. The formulation PCL/PEVA/PCL with Tet HCl in each layer gave a large initial (burst) release followed by a sustained release. Adding a third layer to the two-layered formulations led to release being sustained from 6 days to more than 15 days. There was no detectable loss of Tet chemical stability (as shown by UV and NMR) or bioactivity (as shown by a modified Kirby-Bauer disc assay). Using Tet HCl-sensitive bacteria, Staphylococcus aureus (ATCC 25923), the Tet HCl-loaded three-layered matrix formulations were still showing significantly higher antibacterial effects on days 4 and 5 than commercially available Antimicrobial Susceptibility Test Discs of Tet HCl. Electrospinning provides good encapsulation efficiency of Tet HCl within PCL/PEVA/PCL polymers in micro/nanofibre layers which display sustained antibiotic release.

  20. Automating FEA programming

    NASA Technical Reports Server (NTRS)

    Sharma, Naveen

    1992-01-01

    In this paper we briefly describe a combined symbolic and numeric approach for solving mathematical models on parallel computers. An experimental software system, PIER, is being developed in Common Lisp to synthesize computationally intensive and domain formulation dependent phases of finite element analysis (FEA) solution methods. Quantities for domain formulation like shape functions, element stiffness matrices, etc., are automatically derived using symbolic mathematical computations. The problem specific information and derived formulae are then used to generate (parallel) numerical code for FEA solution steps. A constructive approach to specify a numerical program design is taken. The code generator compiles application oriented input specifications into (parallel) FORTRAN77 routines with the help of built-in knowledge of the particular problem, numerical solution methods and the target computer.

  1. Dissolving microneedles for DNA vaccination: Improving functionality via polymer characterization and RALA complexation

    PubMed Central

    Cole, Grace; McCaffrey, Joanne; Ali, Ahlam A.; McBride, John W.; McCrudden, Cian M.; Vincente-Perez, Eva M.; Donnelly, Ryan F.; McCarthy, Helen O.

    2017-01-01

    ABSTRACT DNA vaccination holds the potential to treat or prevent nearly any immunogenic disease, including cancer. To date, these vaccines have demonstrated limited immunogenicity in vivo due to the absence of a suitable delivery system which can protect DNA from degradation and improve transfection efficiencies in vivo. Recently, microneedles have been described as a novel physical delivery technology to enhance DNA vaccine immunogenicity. Of these devices, dissolvable microneedles promise a safe, pain-free delivery system which may simultaneously improve DNA stability within a solid matrix and increase DNA delivery compared to solid arrays. However, to date little work has directly compared the suitability of different dissolvable matrices for formulation of DNA-loaded microneedles. Therefore, the current study examined the ability of 4 polymers to formulate mechanically robust, functional DNA loaded dissolvable microneedles. Additionally, complexation of DNA to a cationic delivery peptide, RALA, prior to incorporation into the dissolvable matrix was explored as a means to improve transfection efficacies following release from the polymer matrix. Our data demonstrates that DNA is degraded following incorporation into PVP, but not PVA matrices. The complexation of DNA to RALA prior to incorporation into polymers resulted in higher recovery from dissolvable matrices, and increased transfection efficiencies in vitro. Additionally, RALA/DNA nanoparticles released from dissolvable PVA matrices demonstrated up to 10-fold higher transfection efficiencies than the corresponding complexes released from PVP matrices, indicating that PVA is a superior polymer for this microneedle application. PMID:27846370

  2. Finding exact constants in a Markov model of Zipfs law generation

    NASA Astrophysics Data System (ADS)

    Bochkarev, V. V.; Lerner, E. Yu.; Nikiforov, A. A.; Pismenskiy, A. A.

    2017-12-01

    According to the classical Zipfs law, the word frequency is a power function of the word rank with an exponent -1. The objective of this work is to find multiplicative constant in a Markov model of word generation. Previously, the case of independent letters was mathematically strictly investigated in [Bochkarev V V and Lerner E Yu 2017 International Journal of Mathematics and Mathematical Sciences Article ID 914374]. Unfortunately, the methods used in this paper cannot be generalized in case of Markov chains. The search of the correct formulation of the Markov generalization of this results was performed using experiments with different ergodic matrices of transition probability P. Combinatory technique allowed taking into account all the words with probability of more than e -300 in case of 2 by 2 matrices. It was experimentally proved that the required constant in the limit is equal to the value reciprocal to conditional entropy of matrix row P with weights presenting the elements of the vector π of the stationary distribution of the Markov chain.

  3. Stability of the matrix model in operator interpretation

    NASA Astrophysics Data System (ADS)

    Sakai, Katsuta

    2017-12-01

    The IIB matrix model is one of the candidates for nonperturbative formulation of string theory, and it is believed that the model contains gravitational degrees of freedom in some manner. In some preceding works, it was proposed that the matrix model describes the curved space where the matrices represent differential operators that are defined on a principal bundle. In this paper, we study the dynamics of the model in this interpretation, and point out the necessity of the principal bundle from the viewpoint of the stability and diffeomorphism invariance. We also compute the one-loop correction which yields a mass term for each field due to the principal bundle. We find that the stability is not violated.

  4. Finite element, modal co-ordinate analysis of structures subjected to moving loads

    NASA Astrophysics Data System (ADS)

    Olsson, M.

    1985-03-01

    Some of the possibilities of the finite element method in the moving load problem are demonstrated. The bridge-vehicle interaction phenomenon is considered by deriving a general bridge-vehicle element which is believed to be novel. This element may be regarded as a finite element with time-dependent and unsymmetric element matrices. The bridge response is formulated in modal co-ordinates thereby reducing the number of equations to be solved within each time step. Illustrative examples are shown for the special case of a beam bridge model and a one-axle vehicle model.

  5. Novel value-added uses for sweet potato juice and flour in polyphenol- and protein-enriched functional food ingredients.

    PubMed

    Grace, Mary H; Truong, An N; Truong, Van-Den; Raskin, Ilya; Lila, Mary Ann

    2015-09-01

    Blackcurrant, blueberry, and muscadine grape juices were efficiently sorbed, concentrated, and stabilized into dry granular ingredient matrices which combined anti-inflammatory and antioxidant fruit polyphenols with sweet potato functional constituents (carotenoids, vitamins, polyphenols, fibers). Total phenolics were highest in blackcurrant-orange sweet potato ingredient matrices (34.03 mg/g), and lowest in muscadine grape-yellow sweet potato matrices (10.56 mg/g). Similarly, anthocyanins were most concentrated in blackcurrant-fortified orange and yellow sweet potato matrices (5.40 and 6.54 mg/g, respectively). Alternatively, other protein-rich edible matrices (defatted soy flour, light roasted peanut flour, and rice protein concentrate) efficiently captured polyphenols (6.09-9.46 mg/g) and anthocyanins (0.77-1.27 mg/g) from purple-fleshed sweet potato juice, with comparable efficiency. Antioxidant activity correlated well with total phenolic content. All formulated ingredient matrices stabilized and preserved polyphenols for up to 24 weeks, even when stored at 37°C. Complexation with juice-derived polyphenols did not significantly alter protein or carbohydrate profiles of the matrices. Sensory evaluation of the ingredient matrices suggested potential uses for a wide range of functional food products.

  6. Formulation Optimization of Hot Melt Extruded Abuse Deterrent Pellet Dosage Form Utilizing Design of Experiments (DOE)

    PubMed Central

    Maddineni, Sindhuri; Battu, Sunil Kumar; Morott, Joe; Majumdar, Soumyajit; Repka, Michael A.

    2014-01-01

    The objective of the present study was to develop techniques for an abuse-deterrent (AD) platform utilizing hot melt extrusion (HME) process. Formulation optimization was accomplished by utilizing Box-Behnken design of experiments to determine the effect of the three formulation factors: PolyOx™ WSR301, Benecel™ K15M, and Carbopol 71G; each of which was studied at three levels on TR attributes of the produced melt extruded pellets. A response surface methodology was utilized to identify the optimized formulation. Lidocaine Hydrochloride was used as a model drug, and suitable formulation ingredients were employed as carrier matrices and processing aids. All of the formulations were evaluated for the TR attributes such as particle size post-milling, gelling, percentage of drug extraction in water and alcohol. All of the DOE formulations demonstrated sufficient hardness and elasticity, and could not be reduced into fine particles (<150µm), which is a desirable feature to prevent snorting. In addition, all of the formulations exhibited good gelling tendency in water with minimal extraction of drug in the aqueous medium. Moreover, Benecel™ K15M in combination with PolyOx™ WSR301 could be utilized to produce pellets with TR potential. HME has been demonstrated to be a viable technique with a potential to develop novel abuse-deterrent formulations. PMID:24433429

  7. Moisture-induced phase separation and recrystallization in amorphous solid dispersions.

    PubMed

    Luebbert, Christian; Sadowski, Gabriele

    2017-10-30

    Active Pharmaceutical Ingredients (APIs) are often dissolved in polymeric matrices to control the gastrointestinal dissolution and to stabilize the amorphous state of the API. During the pharmaceutical development of new formulations, stability studies via storage at certain temperature and relative humidity (RH) have to be carried out to verify the long-term thermodynamic stability of these formulations against unwanted recrystallization and moisture-induced amorphous-amorphous phase separation (MIAPS). This study focuses on predicting the MIAPS of API/polymer formulations at elevated RH. In a first step, the phase behavior of water-free formulations of ibuprofen (IBU) and felodipine (FEL) combined with the polymers poly(vinyl pyrrolidone) (PVP), poly(vinyl acetate) (PVAC) and poly (vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) was determined experimentally by differential scanning calorimetry (DSC). The phase behavior of these water-free formulations was modeled using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). Based on this, the API solubility and MIAPS in the above-mentioned formulations at humid conditions was predicted in perfect agreement with the results of two-year lasting stability studies at 25°C/0% RH and 40°C/75% RH. MIAPS was predicted and also experimentally found for the FEL/PVP, FEL/PVPVA64 and IBU/PVP formulations, whereas MIAPS was neither predicted nor measured for the IBU/PVPVA64 system and PVAC-containing formulations. It was thus shown that the results of time-consuming long-term stability tests can be correctly predicted via thermodynamic modeling with PC-SAFT. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Singularity-free dynamic equations of spacecraft-manipulator systems

    NASA Astrophysics Data System (ADS)

    From, Pål J.; Ytterstad Pettersen, Kristin; Gravdahl, Jan T.

    2011-12-01

    In this paper we derive the singularity-free dynamic equations of spacecraft-manipulator systems using a minimal representation. Spacecraft are normally modeled using Euler angles, which leads to singularities, or Euler parameters, which is not a minimal representation and thus not suited for Lagrange's equations. We circumvent these issues by introducing quasi-coordinates which allows us to derive the dynamics using minimal and globally valid non-Euclidean configuration coordinates. This is a great advantage as the configuration space of a spacecraft is non-Euclidean. We thus obtain a computationally efficient and singularity-free formulation of the dynamic equations with the same complexity as the conventional Lagrangian approach. The closed form formulation makes the proposed approach well suited for system analysis and model-based control. This paper focuses on the dynamic properties of free-floating and free-flying spacecraft-manipulator systems and we show how to calculate the inertia and Coriolis matrices in such a way that this can be implemented for simulation and control purposes without extensive knowledge of the mathematical background. This paper represents the first detailed study of modeling of spacecraft-manipulator systems with a focus on a singularity free formulation using the proposed framework.

  9. Model reductions using a projection formulation

    NASA Technical Reports Server (NTRS)

    De Villemagne, Christian; Skelton, Robert E.

    1987-01-01

    A new methodology for model reduction of MIMO systems exploits the notion of an oblique projection. A reduced model is uniquely defined by a projector whose range space and orthogonal to the null space are chosen among the ranges of generalized controllability and observability matrices. The reduced order models match various combinations (chosen by the designer) of four types of parameters of the full order system associated with (1) low frequency response, (2) high frequency response, (3) low frequency power spectral density, and (4) high frequency power spectral density. Thus, the proposed method is a computationally simple substitute for many existing methods, has an extreme flexibility to embrace combinations of existing methods and offers some new features.

  10. Numerical method of applying shadow theory to all regions of multilayered dielectric gratings in conical mounting.

    PubMed

    Wakabayashi, Hideaki; Asai, Masamitsu; Matsumoto, Keiji; Yamakita, Jiro

    2016-11-01

    Nakayama's shadow theory first discussed the diffraction by a perfectly conducting grating in a planar mounting. In the theory, a new formulation by use of a scattering factor was proposed. This paper focuses on the middle regions of a multilayered dielectric grating placed in conical mounting. Applying the shadow theory to the matrix eigenvalues method, we compose new transformation and improved propagation matrices of the shadow theory for conical mounting. Using these matrices and scattering factors, being the basic quantity of diffraction amplitudes, we formulate a new description of three-dimensional scattering fields which is available even for cases where the eigenvalues are degenerate in any region. Some numerical examples are given for cases where the eigenvalues are degenerate in the middle regions.

  11. Mechanical properties and drug release of venlafaxine HCl solid mini matrices prepared by hot-melt extrusion and hot or ambient compression.

    PubMed

    Avgerinos, Theodoros; Kantiranis, Nikolaos; Panagopoulou, Athanasia; Malamataris, Stavros; Kachrimanis, Kyriakos; Nikolakakis, Ioannis

    2018-02-01

    Objective/significance: To elucidate the role of plasticizers in different mini matrices and correlate mechanical properties with drug release. Cylindrical pellets were prepared by hot-melt extrusion (HME) and mini tablets by hot (HC) and ambient compression (AC). Venlafaxine HCl was the model drug, Eudragit ® RSPO the matrix former and citric acid or Lutrol ® F127 the plasticizers. The matrices were characterized for morphology, crystallinity, and mechanical properties. The influence of plasticizer's type and content on the extrusion pressure (P e ) during HME and ejection during tableting was examined and the mechanical properties were correlated with drug release parameters. Resistance to extrusion and tablet ejection force were reduced by Lutrol ® F127 which also produced softer and weaker pellets with faster release, but harder and stronger HC tablets with slower release. HME pellets showed greater tensile strength (T) and 100 times slower release than tablets. P e correlated with T and resistance to deformation of the corresponding pellets (r 2  = 0.963 and 0.945). For both HME and HC matrices the decrease of drug release with T followed a single straight line (r 2  = 0.990) and for HME the diffusion coefficient (D e ) and retreat rate constant (k b ) decreased linearly with T (r 2  = 0.934 and 0.972). Lutrol ® F127 and citric acid are efficient plasticizers and Lutrol ® F127 is a thermal binder/lubricant in HC compression. The different bonding mechanisms of the matrices were reflected in the mechanical strength and drug release. Relationships established between T and drug release parameters for HME and HC matrices may be useful during formulation work.

  12. An entropy-variables-based formulation of residual distribution schemes for non-equilibrium flows

    NASA Astrophysics Data System (ADS)

    Garicano-Mena, Jesús; Lani, Andrea; Degrez, Gérard

    2018-06-01

    In this paper we present an extension of Residual Distribution techniques for the simulation of compressible flows in non-equilibrium conditions. The latter are modeled by means of a state-of-the-art multi-species and two-temperature model. An entropy-based variable transformation that symmetrizes the projected advective Jacobian for such a thermophysical model is introduced. Moreover, the transformed advection Jacobian matrix presents a block diagonal structure, with mass-species and electronic-vibrational energy being completely decoupled from the momentum and total energy sub-system. The advantageous structure of the transformed advective Jacobian can be exploited by contour-integration-based Residual Distribution techniques: established schemes that operate on dense matrices can be substituted by the same scheme operating on the momentum-energy subsystem matrix and repeated application of scalar scheme to the mass-species and electronic-vibrational energy terms. Finally, the performance gain of the symmetrizing-variables formulation is quantified on a selection of representative testcases, ranging from subsonic to hypersonic, in inviscid or viscous conditions.

  13. Formulation and characterization of a porous, elastomeric biomaterial for vocal fold tissue engineering research

    PubMed Central

    Gaston, Joel; Bartlett, Rebecca S.; Klemuk, Sarah A.

    2014-01-01

    Objectives Biomaterials able to mimic the mechanical properties of vocal fold tissue may be particularly useful for furnishing three dimensional microenvironment allowing for in vitro investigation of cell and molecular responses to vibration. Motivated by the dearth of biomaterials available to be used in an in vitro model for vocal fold tissue, we investigated polyether polyurethane (PEU) matrices which are porous, mechanically tuneable biomaterials that are inexpensive and require only standard laboratory equipment for fabrication. Methods Rheology, dynamic mechanical analysis and scanning electron microscopy were performed on PEU matrices at 5%, 10% and 20% w/v mass concentrations. Results For 5%, 10%, and 20% w/v concentrations, shear storage modulus were 2 kPa, 3.4 kPa, and 6 kPa, respectively with shear loss modulus being 0.2 kPa, 0.38 kPa and 0.62 kPa, respectively. Storage modulus responded to applied frequency as a linear function. Mercury intrusion porosimetry revealed that all three mass concentrations of PEU have similar overall percent porosity, but differ in pore architecture. Conclusions 20 µm diameter pores are ideal for cell seeding, and range of mechanical properties indicates that the higher mass concentration PEU formulations are best suited for mimicking the viscoelastic properties of vocal fold tissue for in vitro research. PMID:24944281

  14. Synchronization Control of Neural Networks With State-Dependent Coefficient Matrices.

    PubMed

    Zhang, Junfeng; Zhao, Xudong; Huang, Jun

    2016-11-01

    This brief is concerned with synchronization control of a class of neural networks with state-dependent coefficient matrices. Being different from the existing drive-response neural networks in the literature, a novel model of drive-response neural networks is established. The concepts of uniformly ultimately bounded (UUB) synchronization and convex hull Lyapunov function are introduced. Then, by using the convex hull Lyapunov function approach, the UUB synchronization design of the drive-response neural networks is proposed, and a delay-independent control law guaranteeing the bounded synchronization of the neural networks is constructed. All present conditions are formulated in terms of bilinear matrix inequalities. By comparison, it is shown that the neural networks obtained in this brief are less conservative than those ones in the literature, and the bounded synchronization is suitable for the novel drive-response neural networks. Finally, an illustrative example is given to verify the validity of the obtained results.

  15. A geometrically exact formulation for three-dimensional numerical simulation of the umbilical cable in a deep-sea ROV system

    NASA Astrophysics Data System (ADS)

    Quan, Wei-cai; Zhang, Zhu-ying; Zhang, Ai-qun; Zhang, Qi-feng; Tian, Yu

    2015-04-01

    This paper proposes a geometrically exact formulation for three-dimensional static and dynamic analyses of the umbilical cable in a deep-sea remotely operated vehicle (ROV) system. The presented formulation takes account of the geometric nonlinearities of large displacement, effects of axial load and bending stiffness for modeling of slack cables. The resulting nonlinear second-order governing equations are discretized spatially by the finite element method and solved temporally by the generalized- α implicit time integration algorithm, which is adapted to the case of varying coefficient matrices. The ability to consider three-dimensional union action of ocean current and ship heave motion upon the umbilical cable is the key feature of this analysis. The presented formulation is firstly validated, and then three numerical examples for the umbilical cable in a deep-sea ROV system are demonstrated and discussed, including the steady configurations only under the action of depth-dependent ocean current, the dynamic responses in the case of the only ship heave motion, and in the case of the combined action of the ship heave motion and ocean current.

  16. Comparative drug release measurements in limited amounts of liquid: a suppository formulation study.

    PubMed

    Welch, Ken; Ek, Ragnar; Strømme, Maria

    2006-07-01

    A novel method for the investigation of drug formulations in limited liquid volumes is presented. The experimental setup consists of a measurement cell containing an absorbent sponge cloth placed between two parallel electrodes. Conductivity measurements are used to monitor the drug release from the dosage form. By varying the amount of water contained in the absorbent cloth surrounding the dosage form, it is possible to measure the drug release performance of the dosage form in very limited amounts of water. The method was employed to test four different tablet formulations consisting of the model drug NaCl incorporated in excipient matrices of hard fat, polyethylene glycol, microcrystalline cellulose and a mixture of microcrystalline cellulose and croscarmellose sodium (Ac-Di-Sol). The drug release rates of the different formulations in limited water volumes differed markedly from the release rates in an excess of water. Whereas the release rates from all tablet types in an excess of water showed only minor differences among the tablet types, the release rates from the tablets formulated with disintegrating excipients were clearly superior in limited water volumes. The developed method for drug release in limited volumes of liquid should be suitable for evaluation of rectal dosage forms.

  17. A Three-Dimensional Finite-Element Model for Simulating Water Flow in Variably Saturated Porous Media

    NASA Astrophysics Data System (ADS)

    Huyakorn, Peter S.; Springer, Everett P.; Guvanasen, Varut; Wadsworth, Terry D.

    1986-12-01

    A three-dimensional finite-element model for simulating water flow in variably saturated porous media is presented. The model formulation is general and capable of accommodating complex boundary conditions associated with seepage faces and infiltration or evaporation on the soil surface. Included in this formulation is an improved Picard algorithm designed to cope with severely nonlinear soil moisture relations. The algorithm is formulated for both rectangular and triangular prism elements. The element matrices are evaluated using an "influence coefficient" technique that avoids costly numerical integration. Spatial discretization of a three-dimensional region is performed using a vertical slicing approach designed to accommodate complex geometry with irregular boundaries, layering, and/or lateral discontinuities. Matrix solution is achieved using a slice successive overrelaxation scheme that permits a fairly large number of nodal unknowns (on the order of several thousand) to be handled efficiently on small minicomputers. Six examples are presented to verify and demonstrate the utility of the proposed finite-element model. The first four examples concern one- and two-dimensional flow problems used as sample problems to benchmark the code. The remaining examples concern three-dimensional problems. These problems are used to illustrate the performance of the proposed algorithm in three-dimensional situations involving seepage faces and anisotropic soil media.

  18. Study of propellant dynamics in a shuttle type launch vehicle

    NASA Technical Reports Server (NTRS)

    Jones, C. E.; Feng, G. C.

    1972-01-01

    A method and an associated digital computer program for evaluating the vibrational characteristics of large liquid-filled rigid wall tanks of general shape are presented. A solution procedure was developed in which slosh modes and frequencies are computed for systems mathematically modeled as assemblages of liquid finite elements. To retain sparsity in the assembled system mass and stiffness matrices, a compressible liquid element formulation was incorporated in the program. The approach taken in the liquid finite element formulation is compatible with triangular and quadrilateral structural finite elements so that the analysis of liquid motion can be coupled with flexible tank wall motion at some future time. The liquid element repertoire developed during the course of this study consists of a two-dimensional triangular element and a three-dimensional tetrahedral element.

  19. Controlled release hydrophilic matrix tablet formulations of isoniazid: design and in vitro studies.

    PubMed

    Hiremath, Praveen S; Saha, Ranendra N

    2008-01-01

    The aim of the present investigation was to develop oral controlled release matrix tablet formulations of isoniazid using hydroxypropyl methylcellulose (HPMC) as a hydrophilic release retardant polymer and to study the influence of various formulation factors like proportion of the polymer, polymer viscosity grade, compression force, and release media on the in vitro release characteristics of the drug. The formulations were developed using wet granulation technology. The in vitro release studies were performed using US Pharmacopoeia type 1 apparatus (basket method) in 900 ml of pH 7.4 phosphate buffer at 100 rpm. The release kinetics was analyzed using Korsmeyer-Peppas model. The release profiles were also analyzed using statistical method (one-way analysis of variance) and f (2) metric values. The release profiles found to follow Higuchi's square root kinetics model irrespective of the polymer ratio and the viscosity grade used. The results in the present investigation confirm that the release rate of the drug from the HPMC matrices is highly influenced by the drug/HPMC ratio and viscosity grade of the HPMC. Also, the effect of compression force and release media was found to be significant on the release profiles of isoniazid from HPMC matrix tablets. The release mechanism was found to be anomalous non-Fickian diffusion in all the cases. In the present investigation, a series of controlled release formulations of isoniazid were developed with different release rates and duration so that these formulations could further be assessed from the in vivo bioavailability studies. The formulations were found to be stable and reproducible.

  20. Tracking Time Evolution of Collective Attention Clusters in Twitter: Time Evolving Nonnegative Matrix Factorisation.

    PubMed

    Saito, Shota; Hirata, Yoshito; Sasahara, Kazutoshi; Suzuki, Hideyuki

    2015-01-01

    Micro-blogging services, such as Twitter, offer opportunities to analyse user behaviour. Discovering and distinguishing behavioural patterns in micro-blogging services is valuable. However, it is difficult and challenging to distinguish users, and to track the temporal development of collective attention within distinct user groups in Twitter. In this paper, we formulate this problem as tracking matrices decomposed by Nonnegative Matrix Factorisation for time-sequential matrix data, and propose a novel extension of Nonnegative Matrix Factorisation, which we refer to as Time Evolving Nonnegative Matrix Factorisation (TENMF). In our method, we describe users and words posted in some time interval by a matrix, and use several matrices as time-sequential data. Subsequently, we apply Time Evolving Nonnegative Matrix Factorisation to these time-sequential matrices. TENMF can decompose time-sequential matrices, and can track the connection among decomposed matrices, whereas previous NMF decomposes a matrix into two lower dimension matrices arbitrarily, which might lose the time-sequential connection. Our proposed method has an adequately good performance on artificial data. Moreover, we present several results and insights from experiments using real data from Twitter.

  1. Release and diffusional modeling of metronidazole lipid matrices.

    PubMed

    Ozyazici, Mine; Gökçe, Evren H; Ertan, Gökhan

    2006-07-01

    In this study, the first aim was to investigate the swelling and relaxation properties of lipid matrix on diffusional exponent (n). The second aim was to determine the desired release profile of metronidazole lipid matrix tablets. We prepared metronidazole lipid matrix granules using Carnauba wax, Beeswax, Stearic acid, Cutina HR, Precirol ATO 5, and Compritol ATO 888 by hot fusion method and pressed the tablets of these granules. In vitro release test was performed using a standard USP dissolution apparatus I (basket method) with a stirring rate of 100 rpm at 37 degrees C in 900 ml of 0.1 N hydrochloric acid, adjusted to pH 1.2, as medium for the formulations' screening. Hardness, diameter-height ratio, friability, and swelling ratio were determined. Target release profile of metronidazole was also drawn. Stearic acid showed the highest and Carnauba wax showed the lowest release rates in all formulations used. Swelling ratios were calculated after the dissolution of tablets as 9.24%, 6.03%, 1.74%, and 1.07% for Cutina HR, Beeswax, Precirol ATO 5, and Compritol ATO 888, respectively. There was erosion in Stearic acid, but neither erosion nor swelling in Carnauba wax, was detected. According to the power law analysis, the diffusion mechanism was expressed as pure Fickian for Stearic acid and Carnauba wax and the coupling of Fickian and relaxation contributions for other Cutina HR, Beeswax, Compritol ATO 888, and Precirol ATO 5 tablets. It was found that Beeswax (kd=2.13) has a very close drug release rate with the target profile (kt=1.95). Our results suggested that swelling and relaxation properties of lipid matrices should be examined together for a correct evaluation on drug diffusion mechanism of insoluble matrices.

  2. Controlled poorly soluble drug release from solid self-microemulsifying formulations with high viscosity hydroxypropylmethylcellulose.

    PubMed

    Yi, Tao; Wan, Jiangling; Xu, Huibi; Yang, Xiangliang

    2008-08-07

    The objective of this work was the development of a controlled release system based on self-microemulsifying mixture aimed for oral delivery of poorly water-soluble drugs. HPMC-based particle formulations were prepared by spray drying containing a model drug (nimodipine) of low water solubility and hydroxypropylmethylcellulose (HPMC) of high viscosity. One type of formulations contained nimodipine mixed with HPMC and the other type of formulations contained HPMC and nimodipine dissolved in a self-microemulsifying system (SMES) consisting of ethyl oleate, Cremophor RH 40 and Labrasol. Based on investigation by transmission electron microscopy (TEM), scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and X-ray powder diffraction, differences were found in the particle structure between both types of formulations. In vitro release was performed and characterized by the power law. Nimodipine release from both types of formulations showed a controlled release profile and the two power law parameters, n and K, correlated to the viscosity of HPMC. The parameters were also influenced by the presence of SMES. For the controlled release solid SMES, oil droplets containing dissolved nimodipine diffused out of HPMC matrices following exposure to aqueous media. Thus, it is possible to control the in vitro release of poorly soluble drugs from solid oral dosage forms containing SMES.

  3. Novel value-added uses for sweet potato juice and flour in polyphenol- and protein-enriched functional food ingredients

    PubMed Central

    Grace, Mary H; Truong, An N; Truong, Van-Den; Raskin, Ilya; Lila, Mary Ann

    2015-01-01

    Blackcurrant, blueberry, and muscadine grape juices were efficiently sorbed, concentrated, and stabilized into dry granular ingredient matrices which combined anti-inflammatory and antioxidant fruit polyphenols with sweet potato functional constituents (carotenoids, vitamins, polyphenols, fibers). Total phenolics were highest in blackcurrant-orange sweet potato ingredient matrices (34.03 mg/g), and lowest in muscadine grape-yellow sweet potato matrices (10.56 mg/g). Similarly, anthocyanins were most concentrated in blackcurrant-fortified orange and yellow sweet potato matrices (5.40 and 6.54 mg/g, respectively). Alternatively, other protein-rich edible matrices (defatted soy flour, light roasted peanut flour, and rice protein concentrate) efficiently captured polyphenols (6.09–9.46 mg/g) and anthocyanins (0.77–1.27 mg/g) from purple-fleshed sweet potato juice, with comparable efficiency. Antioxidant activity correlated well with total phenolic content. All formulated ingredient matrices stabilized and preserved polyphenols for up to 24 weeks, even when stored at 37°C. Complexation with juice-derived polyphenols did not significantly alter protein or carbohydrate profiles of the matrices. Sensory evaluation of the ingredient matrices suggested potential uses for a wide range of functional food products. PMID:26405527

  4. Numerical modelling of transdermal delivery from matrix systems: parametric study and experimental validation with silicone matrices.

    PubMed

    Snorradóttir, Bergthóra S; Jónsdóttir, Fjóla; Sigurdsson, Sven Th; Másson, Már

    2014-08-01

    A model is presented for transdermal drug delivery from single-layered silicone matrix systems. The work is based on our previous results that, in particular, extend the well-known Higuchi model. Recently, we have introduced a numerical transient model describing matrix systems where the drug dissolution can be non-instantaneous. Furthermore, our model can describe complex interactions within a multi-layered matrix and the matrix to skin boundary. The power of the modelling approach presented here is further illustrated by allowing the possibility of a donor solution. The model is validated by a comparison with experimental data, as well as validating the parameter values against each other, using various configurations with donor solution, silicone matrix and skin. Our results show that the model is a good approximation to real multi-layered delivery systems. The model offers the ability of comparing drug release for ibuprofen and diclofenac, which cannot be analysed by the Higuchi model because the dissolution in the latter case turns out to be limited. The experiments and numerical model outlined in this study could also be adjusted to more general formulations, which enhances the utility of the numerical model as a design tool for the development of drug-loaded matrices for trans-membrane and transdermal delivery. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  5. Advance finite element modeling of rotor blade aeroelasticity

    NASA Technical Reports Server (NTRS)

    Straub, F. K.; Sangha, K. B.; Panda, B.

    1994-01-01

    An advanced beam finite element has been developed for modeling rotor blade dynamics and aeroelasticity. This element is part of the Element Library of the Second Generation Comprehensive Helicopter Analysis System (2GCHAS). The element allows modeling of arbitrary rotor systems, including bearingless rotors. It accounts for moderately large elastic deflections, anisotropic properties, large frame motion for maneuver simulation, and allows for variable order shape functions. The effects of gravity, mechanically applied and aerodynamic loads are included. All kinematic quantities required to compute airloads are provided. In this paper, the fundamental assumptions and derivation of the element matrices are presented. Numerical results are shown to verify the formulation and illustrate several features of the element.

  6. The complexity of divisibility.

    PubMed

    Bausch, Johannes; Cubitt, Toby

    2016-09-01

    We address two sets of long-standing open questions in linear algebra and probability theory, from a computational complexity perspective: stochastic matrix divisibility, and divisibility and decomposability of probability distributions. We prove that finite divisibility of stochastic matrices is an NP-complete problem, and extend this result to nonnegative matrices, and completely-positive trace-preserving maps, i.e. the quantum analogue of stochastic matrices. We further prove a complexity hierarchy for the divisibility and decomposability of probability distributions, showing that finite distribution divisibility is in P, but decomposability is NP-hard. For the former, we give an explicit polynomial-time algorithm. All results on distributions extend to weak-membership formulations, proving that the complexity of these problems is robust to perturbations.

  7. Applications of multiple-constraint matrix updates to the optimal control of large structures

    NASA Technical Reports Server (NTRS)

    Smith, S. W.; Walcott, B. L.

    1992-01-01

    Low-authority control or vibration suppression in large, flexible space structures can be formulated as a linear feedback control problem requiring computation of displacement and velocity feedback gain matrices. To ensure stability in the uncontrolled modes, these gain matrices must be symmetric and positive definite. In this paper, efficient computation of symmetric, positive-definite feedback gain matrices is accomplished through the use of multiple-constraint matrix update techniques originally developed for structural identification applications. Two systems were used to illustrate the application: a simple spring-mass system and a planar truss. From these demonstrations, use of this multiple-constraint technique is seen to provide a straightforward approach for computing the low-authority gains.

  8. A comparative study of the effect of spray drying and hot-melt extrusion on the properties of amorphous solid dispersions containing felodipine.

    PubMed

    Mahmah, Osama; Tabbakh, Rami; Kelly, Adrian; Paradkar, Anant

    2014-02-01

    To compare the properties of solid dispersions of felodipine for oral bioavailability enhancement using two different polymers, polyvinylpyrrolidone (PVP) and hydroxypropyl methylcellulose acetate succinate (HPMCAS), by hot-melt extrusion (HME) and spray drying. Felodipine solid dispersions were prepared by HME and spray drying techniques. PVP and HPMCAS were used as polymer matrices at different drug : polymer ratios (1 : 1, 1 : 2 and 1 : 3). Detailed characterization was performed using differential scanning calorimetry, powder X-ray diffractometry, scanning electron microscopy and in-vitro dissolution testing. Dissolution profiles were evaluated in the presence of sodium dodecyl sulphate. Stability of different solid dispersions was studied under accelerated conditions (40°C/75% RH) over 8 weeks. Spray-dried formulations were found to release felodipine faster than melt extruded formulations for both polymer matrices. Solid dispersions containing HMPCAS exhibited higher drug release rates and better wettability than those produced with a PVP matrix. No significant differences in stability were observed except with HPMCAS at a 1 : 1 ratio, where crystallization was detected in spray-dried formulations. Solid dispersions of felodipine produced by spray drying exhibited more rapid drug release than corresponding melt extruded formulations, although in some cases improved stability was observed for melt extruded formulations. © 2013 Royal Pharmaceutical Society.

  9. Density-velocity equations with bulk modulus for computational hydro-acoustics

    NASA Astrophysics Data System (ADS)

    Lin, Po-Hsien; Chen, Yung-Yu; John Yu, S.-T.

    2014-02-01

    This paper reports a new set of model equations for Computational Hydro Acoustics (CHA). The governing equations include the continuity and the momentum equations. The definition of bulk modulus is used to relate density with pressure. For 3D flow fields, there are four equations with density and velocity components as the unknowns. The inviscid equations are proved to be hyperbolic because an arbitrary linear combination of the three Jacobian matrices is diagonalizable and has a real spectrum. The left and right eigenvector matrices are explicitly derived. Moreover, an analytical form of the Riemann invariants are derived. The model equations are indeed suitable for modeling wave propagation in low-speed, nearly incompressible air and water flows. To demonstrate the capability of the new formulation, we use the CESE method to solve the 2D equations for aeolian tones generated by air flows passing a circular cylinder at Re = 89,000, 46,000, and 22,000. Numerical results compare well with previously published data. By simply changing the value of the bulk modulus, the same code is then used to calculate three cases of water flows passing a cylinder at Re = 89,000, 67,000, and 44,000.

  10. The nonlinear aeroelastic characteristics of a folding wing with cubic stiffness

    NASA Astrophysics Data System (ADS)

    Hu, Wei; Yang, Zhichun; Gu, Yingsong; Wang, Xiaochen

    2017-07-01

    This paper focuses on the nonlinear aeroelastic characteristics of a folding wing in the quasi-steady condition (namely at fixed folding angles) and during the morphing process. The structure model of the folding wing is formulated by the Lagrange equations, and the constraint equation is used to describe the morphing strategy. The aerodynamic influence coefficient matrices at several folding angles are calculated by the Doublet Lattice method, and described as rational functions in the Laplace domain by the rational function approximation, and then the Kriging agent model technique is adopted to interpolate the coefficient matrices of the rational functions, and the aerodynamics model of the folding wing during the morphing process is built. The aeroelastic responses of the folding wing with cubic stiffness are simulated, and the results show that the motion types of aeroelastic responses in the quasi-steady condition and during the morphing process are all sensitive to the initial condition and folding angle. During the morphing process, the transition of the motion types is observed. And apart from the period of transition, the aeroelastic response at some folding angles may exhibit different motion types, which can be found from the results in the quasi-steady condition.

  11. Computer-Assisted Drug Formulation Design: Novel Approach in Drug Delivery.

    PubMed

    Metwally, Abdelkader A; Hathout, Rania M

    2015-08-03

    We hypothesize that, by using several chemo/bio informatics tools and statistical computational methods, we can study and then predict the behavior of several drugs in model nanoparticulate lipid and polymeric systems. Accordingly, two different matrices comprising tripalmitin, a core component of solid lipid nanoparticles (SLN), and PLGA were first modeled using molecular dynamics simulation, and then the interaction of drugs with these systems was studied by means of computing the free energy of binding using the molecular docking technique. These binding energies were hence correlated with the loadings of these drugs in the nanoparticles obtained experimentally from the available literature. The obtained relations were verified experimentally in our laboratory using curcumin as a model drug. Artificial neural networks were then used to establish the effect of the drugs' molecular descriptors on the binding energies and hence on the drug loading. The results showed that the used soft computing methods can provide an accurate method for in silico prediction of drug loading in tripalmitin-based and PLGA nanoparticulate systems. These results have the prospective of being applied to other nano drug-carrier systems, and this integrated statistical and chemo/bio informatics approach offers a new toolbox to the formulation science by proposing what we present as computer-assisted drug formulation design (CADFD).

  12. Application of recursive Gibbs-Appell formulation in deriving the equations of motion of N-viscoelastic robotic manipulators in 3D space using Timoshenko Beam Theory

    NASA Astrophysics Data System (ADS)

    Korayem, M. H.; Shafei, A. M.

    2013-02-01

    The goal of this paper is to describe the application of Gibbs-Appell (G-A) formulation and the assumed modes method to the mathematical modeling of N-viscoelastic link manipulators. The paper's focus is on obtaining accurate and complete equations of motion which encompass the most related structural properties of lightweight elastic manipulators. In this study, two important damping mechanisms, namely, the structural viscoelasticity (Kelvin-Voigt) effect (as internal damping) and the viscous air effect (as external damping) have been considered. To include the effects of shear and rotational inertia, the assumption of Timoshenko beam (TB) theory (TBT) has been applied. Gravity, torsion, and longitudinal elongation effects have also been included in the formulations. To systematically derive the equations of motion and improve the computational efficiency, a recursive algorithm has been used in the modeling of the system. In this algorithm, all the mathematical operations are carried out by only 3×3 and 3×1 matrices. Finally, a computational simulation for a manipulator with two elastic links is performed in order to verify the proposed method.

  13. Graft copolymers of ethyl methacrylate on waxy maize starch derivatives as novel excipients for matrix tablets: drug release and fronts movement kinetics.

    PubMed

    Marinich, J A; Ferrero, C; Jiménez-Castellanos, M R

    2012-04-01

    A previous paper deals with the physicochemical and technological characterization of novel graft copolymers of ethyl methacrylate (EMA) on waxy maize starch (MS) and hydroxypropylstarch (MHS). The results obtained suggested the potential application of these copolymers as excipients for compressed non-disintegrating matrix tablets. Therefore, the purpose of the present study was to investigate the mechanism governing drug release from matrix systems prepared with the new copolymers and anhydrous theophylline or diltiazem HCl as model drugs with different solubility. The influence of the carbohydrate nature, drying procedure and initial pore network on drug release kinetics was also evaluated. Drug release experiments were performed from free tablets. Radial drug release and fronts movement kinetics were also analysed, and several mathematical models were employed to ascertain the drug release mechanisms. The drug release markedly depends on the drug solubility and the carbohydrate nature but is practically not affected by the drying process and the initial matrix porosity. A faster drug release is observed for matrices containing diltiazem HCl compared with those containing anhydrous theophylline, in accordance with the higher drug solubility and the higher friability of diltiazem matrices. In fact, although diffusion is the prevailing drug release mechanism for all matrices, the erosion mechanism seems to have some contribution in several formulations containing diltiazem. A reduction in the surface exposed to the dissolution medium (radial release studies) leads to a decrease in the drug release rate, but the release mechanism is not essentially modified. The nearly constant erosion front movement confirms the behaviour of these systems as inert matrices where the drugs are released mainly by diffusion through the porous structure. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Natural transformation of chlordecone into 5b-hydrochlordecone in French West Indies soils: statistical evidence for investigating long-term persistence of organic pollutants.

    PubMed

    Devault, Damien A; Laplanche, Christophe; Pascaline, Hélène; Bristeau, Sébastien; Mouvet, Christophe; Macarie, Hervé

    2016-01-01

    Chlordecone (CLD) was an organochlorine insecticide whose previous use resulted in an extensive pollution of the environment with severe health effects and social consequences. A closely related compound, 5b-hydrochlordecone (5b-hydroCLD), has been searched for and often detected in environmental matrices from the geographical area where CLD was applied. The current consensus considered that its presence was not the result of a biotic or abiotic dechlorination of CLD in these matrices but rather the consequence of its presence as impurity (synthesis by-product) in the CLD released into the environment. The aim of the present study was to determine if and to what extent degradation of CLD into 5b-hydroCLD occurred in the field. To test this hypothesis, the ratios of 5b-hydroCLD and CLD concentrations in a dataset of 810 soils collected between 2006 and 2012 in Martinique were compared to the ratios measured in 3 samples of the CLD dust commercial formulations applied in the banana fields of French West Indies (FWI) and 1 sample of the technical-grade CLD corresponding to the active ingredient used in such formulations. Soil data were processed with a hierarchical Bayesian model to account for random measurement errors and data censoring. Any pathway of CLD transformation into 5b-hydroCLD occurring over the long term in FWI soils would indeed change the ratio of 5b-hydroCLD/CLD compared to what it was in the initially applied formulations. Results showed a significant increase of the 5b-hydroCLD/CLD ratio in the soils-25 times greater in soil than in commercial formulations-which suggested that natural CLD transformation into 5b-hydroCLD over the long term occurred in these soils. Results from this study may impact future decisions for the remediation of the polluted areas.

  15. Current advances on polynomial resultant formulations

    NASA Astrophysics Data System (ADS)

    Sulaiman, Surajo; Aris, Nor'aini; Ahmad, Shamsatun Nahar

    2017-08-01

    Availability of computer algebra systems (CAS) lead to the resurrection of the resultant method for eliminating one or more variables from the polynomials system. The resultant matrix method has advantages over the Groebner basis and Ritt-Wu method due to their high complexity and storage requirement. This paper focuses on the current resultant matrix formulations and investigates their ability or otherwise towards producing optimal resultant matrices. A determinantal formula that gives exact resultant or a formulation that can minimize the presence of extraneous factors in the resultant formulation is often sought for when certain conditions that it exists can be determined. We present some applications of elimination theory via resultant formulations and examples are given to explain each of the presented settings.

  16. PALS: A unique probe for the molecular organisation of biopolymer matrices

    NASA Astrophysics Data System (ADS)

    Roussenova, M.; Alam, M. A.

    2013-06-01

    This short review aims to illustrate the versatility of Positron Annihilation Lifetime Spectroscopy (PALS) when utilized for the characterization of biopolymers (e.g.: starch, fractionated maltooligomers, gelatin and cellulose derivatives) commonly used for the formulation of pharmaceutical encapsulants. By showing examples from a number of recent PALS studies, we illustrate that this technique can be used to probe the changes in thermodynamic state and molecular packing for a wide range of biopolymer matrices as a function of temperature, matrix composition and water content. This provides a basis for establishing composition-structure-property relationships for these materials, which would eventually enable the rational control of their macroscopic properties and the design of optimal encapsulating matrices and intelligent drug delivery systems.

  17. Efficiency of fly ash belite cement and zeolite matrices for immobilizing cesium.

    PubMed

    Goñi, S; Guerrero, A; Lorenzo, M P

    2006-10-11

    The efficiency of innovative matrices for immobilizing cesium is presented in this work. The matrix formulation included the use of fly ash belite cement (FABC-2-W) and gismondine-type Na-P1 zeolite, both of which are synthesized from fly ash of coal combustion. The efficiency for immobilizing cesium is evaluated from the leaching test ANSI/ANS 16.1-1986 at the temperature of 40 degrees C, from which the apparent diffusion coefficient of cesium is obtained. Matrices with 100% of FABC-2-W are used as a reference. The integrity of matrices is evaluated by porosity and pore-size distribution from mercury intrusion porosimetry, X-ray diffraction and nitrogen adsorption analyses. Both matrices can be classified as good solidify systems for cesium, specially the FABC-2-W/zeolite matrix in which the replacement of 50% of belite cement by the gismondine-type Na-P1 zeolite caused a decrease of two orders of magnitude of cesium mean Effective Diffusion Coefficient (D(e)) (2.8e-09 cm(2)/s versus 2.2e-07 cm(2)/s, for FABC-2-W/zeolite and FABC-2-W matrices, respectively).

  18. Pharmacokinetic analysis of modified-release metoprolol formulations: An interspecies comparison.

    PubMed

    De Thaye, Elien; Vervaeck, Anouk; Marostica, Eleonora; Remon, Jean Paul; Van Bocxlaer, Jan; Vervaet, Chris; Vermeulen, An

    2017-01-15

    In the current study, we investigated the metoprolol absorption kinetics of an in-house produced oral sustained-release formulation, matrices manufactured via prilling, and two commercially available formulations, ZOK-ZID ® (reservoir) and Slow-Lopresor ® (matrix) in both New Zealand White rabbits and Beagle dogs, using a population pharmacokinetic analysis approach. The aim of this study was to compare the in vivo pharmacokinetic (PK) profiles of different formulations based on metoprolol, a selective adrenergic β 1 -receptor antagonist, in dogs and rabbits and to contrast the observed differences. To that end, metoprolol (50 to 200mg) was administered to 6 Beagle dogs and 6 New Zealand White rabbits as a single intravenous (IV) bolus injection and to 8 dogs and 6 rabbits as an oral modified release formulation. To derive pharmacokinetic parameters from the data, a non-linear mixed-effects model was developed using NONMEM ® where the contribution of observations below the limit of detection (BDL, below detection limit) to the parameter estimates was taken into account in the parameter estimation procedure. In both species and for the three modified release formulations, different absorption models were tested to describe the PK of metoprolol following oral dosing. In Beagle dogs, plasma concentration-time profiles were best described using a sequential zero- and first-order absorption model. In rabbits though, the absorption phase was best described using a first-order process only. In both species, the reservoir formulation ZOK-ZID ® was behaving quite similarly. In contrast, the absorption properties of both matrix formulations were rather different between species. This study indicates that the PK of the reservoir formulation is similar in both species, even after accounting for the almost completely missed absorption phase in rabbits. The insights gained further illustrate that rabbits are not very well suited to study the PK of the current matrix formulations in view of their less optimal prolonged release characteristics and the resulting fast decline in metoprolol plasma levels. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. [ital N]-string vertices in string field theory

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

    Bordes, J.; Abdurrahman, A.; Anton, F.

    1994-03-15

    We give the general form of the vertex corresponding to the interaction of an arbitrary number of strings. The technique employed relies on the comma'' representation of string field theory where string fields and interactions are represented as matrices and operations between them such as multiplication and trace. The general formulation presented here shows that the interaction vertex of [ital N] strings, for any arbitrary [ital N], is given as a function of particular combinations of matrices corresponding to the change of representation between the full string and the half string degrees of freedom.

  20. An Innovative Sensing Approach Using Carbon Nanotube-Based Composites for Structural Health Monitoring of Concrete Structures

    NASA Astrophysics Data System (ADS)

    Dwivedi, Vatsal

    This thesis presents some work on two quite disparate kinds of dynamical systems described by Hamiltonian dynamics. The first part describes a computation of gauge anomalies and their macroscopic effects in a semiclassical picture. The geometric (symplectic) formulation of classical mechanics is used to describe the dynamics of Weyl fermions in even spacetime dimensions, the only quantum input to the symplectic form being the Berry curvature that encodes the spin-momentum locking. The (semi-)classical equations of motion are used in a kinetic theory setup to compute the gauge and singlet currents, whose conservation laws reproduce the nonabelian gauge and singlet anomalies. Anomalous contributions to the hydrodynamic currents for a gas of Weyl fermions at a finite temperature and chemical potential are also calculated, and are in agreement with similar results in literature which were obtained using thermodynamic and/or quantum field theoretical arguments. The second part describes a generalized transfer matrix formalism for noninteracting tight-binding models. The formalism is used to study the bulk and edge spectra, both of which are encoded in the spectrum of the transfer matrices, for some of the common tight-binding models for noninteracting electronic topological phases of matter. The topological invariants associated with the boundary states are interpreted as winding numbers for windings around noncontractible loops on a Riemann sheet constructed using the algebraic structure of the transfer matrices, as well as with a Maslov index on a symplectic group manifold, which is the space of transfer matrices.

  1. A novel fibrin-based artificial ovary prototype resembling human ovarian tissue in terms of architecture and rigidity.

    PubMed

    Chiti, Maria Costanza; Dolmans, Marie-Madeleine; Mortiaux, Lucie; Zhuge, Flanco; Ouni, Emna; Shahri, Parinaz Asiabi Kohneh; Van Ruymbeke, Evelyne; Champagne, Sophie-Demoustier; Donnez, Jacques; Amorim, Christiani Andrade

    2018-01-01

    The aim of this study is to optimize fibrin matrix composition in order to mimic human ovarian tissue architecture for human ovarian follicle encapsulation and grafting. Ultrastructure of fresh human ovarian cortex in age-related women (n = 3) and different fibrin formulations (F12.5/T1, F30/T50, F50/T50, F75/T75), rheology of fibrin matrices and histology of isolated and encapsulated human ovarian follicles in these matrices. Fresh human ovarian cortex showed a highly fibrous and structurally inhomogeneous architecture in three age-related patients, but the mean ± SD of fiber thickness (61.3 to 72.4 nm) was comparable between patients. When the fiber thickness of four different fibrin formulations was compared with human ovarian cortex, F50/T50 and F75/T75 showed similar fiber diameters to native tissue, while F12.5/T1 was significantly different (p value < 0.01). In addition, increased concentrations of fibrin exhibited enhanced storage modulus with F50/T50, resembling physiological ovarian rigidity. Excluding F12.5/T1 from further analysis, only three remaining fibrin matrices (F30/T50, F50/T50, F75/T75) were histologically investigated. For this, frozen-thawed fragments of human ovarian tissue collected from 22 patients were used to isolate ovarian follicles and encapsulate them in the three fibrin formulations. All three yielded similar follicle recovery and loss rates soon after encapsulation. Therefore, based on fiber thickness, porosity, and rigidity, we selected F50/T50 as the fibrin formulation that best mimics native tissue. Of all the different fibrin matrix concentrations tested, F50/T50 emerged as the combination of choice in terms of ultrastructure and rigidity, most closely resembling human ovarian cortex.

  2. A nonrecursive 'Order N' preconditioned conjugate gradient/range space formulation of MDOF dynamics

    NASA Technical Reports Server (NTRS)

    Kurdila, A. J.; Menon, R.; Sunkel, John

    1991-01-01

    This paper addresses the requirements of present-day mechanical system simulations of algorithms that induce parallelism on a fine scale and of transient simulation methods which must be automatically load balancing for a wide collection of system topologies and hardware configurations. To this end, a combination range space/preconditioned conjugage gradient formulation of multidegree-of-freedon dynamics is developed, which, by employing regular ordering of the system connectivity graph, makes it possible to derive an extremely efficient preconditioner from the range space metric (as opposed to the system coefficient matrix). Because of the effectiveness of the preconditioner, the method can achieve performance rates that depend linearly on the number of substructures. The method, termed 'Order N' does not require the assembly of system mass or stiffness matrices, and is therefore amenable to implementation on work stations. Using this method, a 13-substructure model of the Space Station was constructed.

  3. Teaching Fourier optics through ray matrices

    NASA Astrophysics Data System (ADS)

    Moreno, I.; Sánchez-López, M. M.; Ferreira, C.; Davis, J. A.; Mateos, F.

    2005-03-01

    In this work we examine the use of ray-transfer matrices for teaching and for deriving some topics in a Fourier optics course, exploiting the mathematical simplicity of ray matrices compared to diffraction integrals. A simple analysis of the physical meaning of the elements of the ray matrix provides a fast derivation of the conditions to obtain the optical Fourier transform. We extend this derivation to fractional Fourier transform optical systems, and derive the order of the transform from the ray matrix. Some examples are provided to stress this point of view, both with classical and with graded index lenses. This formulation cannot replace the complete explanation of Fourier optics provided by the wave theory, but it is a complementary tool useful to simplify many aspects of Fourier optics and to relate them to geometrical optics.

  4. A computer program to generate equations of motion matrices, L217 (EOM). Volume 1: Engineering and usage

    NASA Technical Reports Server (NTRS)

    Kroll, R. I.; Clemmons, R. E.

    1979-01-01

    The equations of motion program L217 formulates the matrix coefficients for a set of second order linear differential equations that describe the motion of an airplane relative to its level equilibrium flight condition. Aerodynamic data from FLEXSTAB or Doublet Lattice (L216) programs can be used to derive the equations for quasi-steady or full unsteady aerodynamics. The data manipulation and the matrix coefficient formulation are described.

  5. Injectable, in situ forming poly(propylene fumarate)-based ocular drug delivery systems.

    PubMed

    Ueda, H; Hacker, M C; Haesslein, A; Jo, S; Ammon, D M; Borazjani, R N; Kunzler, J F; Salamone, J C; Mikos, A G

    2007-12-01

    This study sought to develop an injectable formulation for long-term ocular delivery of fluocinolone acetonide (FA) by dissolving the anti-inflammatory drug and the biodegradable polymer poly(propylene fumarate) (PPF) in the biocompatible, water-miscible, organic solvent N-methyl-2-pyrrolidone (NMP). Upon injection of the solution into an aqueous environment, a FA-loaded PPF matrix is precipitated in situ through the diffusion/extraction of NMP into surrounding aqueous fluids. Fabrication of the matrices and in vitro release studies were performed in phosphate buffered saline at 37 degrees C. Drug loadings up to 5% were achieved. High performance liquid chromatography was employed to determine the released amount of FA. The effects of drug loading, PPF content of the injectable formulation, and additional photo-crosslinking of the matrix surface were investigated. Overall, FA release was sustained in vitro over up to 400 days. After an initial burst release of 22 to 68% of initial FA loading, controlled drug release driven by diffusion and bulk erosion was observed. Drug release rates in a therapeutic range were demonstrated. Release kinetics were found to be dependent on drug loading, formulation PPF content, and extent of surface crosslinking. The results suggest that injectable, in situ formed PPF matrices are promising candidates for the formulation of long-term, controlled delivery devices for intraocular drug delivery. Copyright 2007 Wiley Periodicals, Inc.

  6. Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo.

    PubMed

    Overy, Catherine; Booth, George H; Blunt, N S; Shepherd, James J; Cleland, Deidre; Alavi, Ali

    2014-12-28

    Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems.

  7. Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

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

    Overy, Catherine; Blunt, N. S.; Shepherd, James J.

    2014-12-28

    Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamicmore » itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems.« less

  8. Multimodal approach to characterization of hydrophilic matrices manufactured by wet and dry granulation or direct compression methods.

    PubMed

    Kulinowski, Piotr; Woyna-Orlewicz, Krzysztof; Obrał, Jadwiga; Rappen, Gerd-Martin; Haznar-Garbacz, Dorota; Węglarz, Władysław P; Jachowicz, Renata; Wyszogrodzka, Gabriela; Klaja, Jolanta; Dorożyński, Przemysław P

    2016-02-29

    The purpose of the research was to investigate the effect of the manufacturing process of the controlled release hydrophilic matrix tablets on their hydration behavior, internal structure and drug release. Direct compression (DC) quetiapine hemifumarate matrices and matrices made of powders obtained by dry granulation (DG) and high shear wet granulation (HS) were prepared. They had the same quantitative composition and they were evaluated using X-ray microtomography, magnetic resonance imaging and biorelevant stress test dissolution. Principal results concerned matrices after 2 h of hydration: (i) layered structure of the DC and DG hydrated tablets with magnetic resonance image intensity decreasing towards the center of the matrix was observed, while in HS matrices layer of lower intensity appeared in the middle of hydrated part; (ii) the DC and DG tablets retained their core and consequently exhibited higher resistance to the physiological stresses during simulation of small intestinal passage than HS formulation. Comparing to DC, HS granulation changed properties of the matrix in terms of hydration pattern and resistance to stress in biorelevant dissolution apparatus. Dry granulation did not change these properties-similar hydration pattern and dissolution in biorelevant conditions were observed for DC and DG matrices. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. High-amylose sodium carboxymethyl starch matrices for oral, sustained drug-release: formulation aspects and in vitro drug-release evaluation.

    PubMed

    Brouillet, F; Bataille, B; Cartilier, L

    2008-05-22

    High-amylose sodium carboxymethyl starch (HASCA), produced by spray-drying (SD), was previously shown to have interesting properties as a promising pharmaceutical sustained drug-release tablet excipient for direct compression, including ease of manufacture and high crushing strength. This study describes the effects of some important formulation parameters, such as compression force (CF), tablet weight (TW), drug-loading and electrolyte particle size, on acetaminophen-release performances from sustained drug-release matrix tablets based on HASCA. An interesting linear relationship between TW and release time was observed for a typical formulation of the system consisting of 40% (w/w) acetaminophen as model drug and 27.5% NaCl as model electrolyte dry-mixed with HASCA. Application of the Peppas and Sahlin model gave a better understanding of the mechanisms involved in drug-release from the HASCA matrix system, which is mainly controlled by surface gel layer formation. Indeed, augmenting TW increased the contribution of the diffusion mechanism. CFs ranging from 1 to 2.5 tonnes/cm(2) had no significant influence on the release properties of tablets weighing 400 or 600 mg. NaCl particle size did not affect the acetaminophen-release profile. Finally, these results prove that the new SD process developed for HASCA manufacture is suitable for obtaining similar-quality HASCA in terms of release and compression performances.

  10. ELEMENTAL SPECIATION IN ENVIRONMENTAL EXPOSURE ASSESSMENT MATRICES

    EPA Science Inventory

    Arsenic and tin are two trace metals where exposure assessments have moved towards a speciation based approach because the toxicity is very chemical form dependent. This toxicity difference can be one of many factors which influence the formulation of certain regulations. For a...

  11. Evaluation of hydrophobic materials as matrices for controlled-release drug delivery.

    PubMed

    Quadir, Mohiuddin Abdul; Rahman, M Sharifur; Karim, M Ziaul; Akter, Sanjida; Awkat, M Talat Bin; Reza, Md Selim

    2003-07-01

    The present study was undertaken to evaluate the effect of different insoluble and erodable wax-lipid based materials and their content level on the release profile of drug from matrix systems. Matrix tablets of theophylline were prepared using carnauba wax, bees wax, stearic acid, cetyl alcohol, cetostearyl alcohol and glyceryl monostearate as rate-retarding agents by direct compression process. The release of theophylline from these hydrophobic matrices was studied over 8-hours in buffer media of pH 6.8. Statistically significant difference was found among the drug release profile from different matrices. The release kinetics was found to be governed by the type and content of hydrophobic materials in the matrix. At lower level of wax matrices (25%), a potential burst release was observed with all the materials being studied. Bees wax could not exert any sustaining action while an extensive burst release was found with carnauba wax at this hydrophobic load. Increasing the concentration of fat-wax materials significantly decreased the burst effect of drug from the matrix. At higher hydrophobic level (50% of the matrix), the rate and extent of drug release was significantly reduced due to increased tortuosity and reduced porosity of the matrix. Cetostearyl alcohol imparted the strongest retardation of drug release irrespective of fat-wax level. Numerical fits indicate that the Higuchi square root of time model was the most appropriate one for describing the release profile of theophylline from hydrophobic matrices. The release mechanism was also explored and explained with biexponential equation. Application of this model indicates that Fickian or case I kinetics is the predominant mechanism of drug release from these wax-lipid matrices. The mean dissolution time (MDT) was calculated for all the formulations and the highest MDT value was obtained with cetostearyl matrix. The greater sustaining activity of cetostearyl alcohol can be attributed to some level of swelling and erosion within this matrix at lower fat-wax level which is also supported by release exponent values and Fickian fraction release against time profile of this agent. The results generated in this study showed that proper selection of these hydrophobic materials based on their physico-chemical properties is important in designing wax matrix tablets with desired dissolution profile.

  12. Physically based estimation of soil water retention from textural data: General framework, new models, and streamlined existing models

    USGS Publications Warehouse

    Nimmo, J.R.; Herkelrath, W.N.; Laguna, Luna A.M.

    2007-01-01

    Numerous models are in widespread use for the estimation of soil water retention from more easily measured textural data. Improved models are needed for better prediction and wider applicability. We developed a basic framework from which new and existing models can be derived to facilitate improvements. Starting from the assumption that every particle has a characteristic dimension R associated uniquely with a matric pressure ?? and that the form of the ??-R relation is the defining characteristic of each model, this framework leads to particular models by specification of geometric relationships between pores and particles. Typical assumptions are that particles are spheres, pores are cylinders with volume equal to the associated particle volume times the void ratio, and that the capillary inverse proportionality between radius and matric pressure is valid. Examples include fixed-pore-shape and fixed-pore-length models. We also developed alternative versions of the model of Arya and Paris that eliminate its interval-size dependence and other problems. The alternative models are calculable by direct application of algebraic formulas rather than manipulation of data tables and intermediate results, and they easily combine with other models (e.g., incorporating structural effects) that are formulated on a continuous basis. Additionally, we developed a family of models based on the same pore geometry as the widely used unsaturated hydraulic conductivity model of Mualem. Predictions of measurements for different suitable media show that some of the models provide consistently good results and can be chosen based on ease of calculations and other factors. ?? Soil Science Society of America. All rights reserved.

  13. Headspace-SPME-GC/MS as a simple cleanup tool for sensitive 2,6-diisopropylphenol analysis from lipid emulsions and adaptable to other matrices.

    PubMed

    Pickl, Karin E; Adamek, Viktor; Gorges, Roland; Sinner, Frank M

    2011-07-15

    Due to increased regulatory requirements, the interaction of active pharmaceutical ingredients with various surfaces and solutions during production and storage is gaining interest in the pharmaceutical research field, in particular with respect to development of new formulations, new packaging material and the evaluation of cleaning processes. Experimental adsorption/absorption studies as well as the study of cleaning processes require sophisticated analytical methods with high sensitivity for the drug of interest. In the case of 2,6-diisopropylphenol - a small lipophilic drug which is typically formulated as lipid emulsion for intravenous injection - a highly sensitive method in the concentration range of μg/l suitable to be applied to a variety of different sample matrices including lipid emulsions is needed. We hereby present a headspace-solid phase microextraction (HS-SPME) approach as a simple cleanup procedure for sensitive 2,6-diisopropylphenol quantification from diverse matrices choosing a lipid emulsion as the most challenging matrix with regard to complexity. By combining the simple and straight forward HS-SPME sample pretreatment with an optimized GC-MS quantification method a robust and sensitive method for 2,6-diisopropylphenol was developed. This method shows excellent sensitivity in the low μg/l concentration range (5-200μg/l), good accuracy (94.8-98.8%) and precision (intraday-precision 0.1-9.2%, inter-day precision 2.0-7.7%). The method can be easily adapted to other, less complex, matrices such as water or swab extracts. Hence, the presented method holds the potential to serve as a single and simple analytical procedure for 2,6-diisopropylphenol analysis in various types of samples such as required in, e.g. adsorption/absorption studies which typically deal with a variety of different surfaces (steel, plastic, glass, etc.) and solutions/matrices including lipid emulsions. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Recursive Deadbeat Controller Design

    NASA Technical Reports Server (NTRS)

    Juang, Jer-Nan; Phan, Minh Q.

    1997-01-01

    This paper presents a recursive algorithm for a deadbeat predictive controller design. The method combines together the concepts of system identification and deadbeat controller designs. It starts with the multi-step output prediction equation and derives the control force in terms of past input and output time histories. The formulation thus derived satisfies simultaneously system identification and deadbeat controller design requirements. As soon as the coefficient matrices are identified satisfying the output prediction equation, no further work is required to compute the deadbeat control gain matrices. The method can be implemented recursively just as any typical recursive system identification techniques.

  15. An algebraic equation solution process formulated in anticipation of banded linear equations.

    DOT National Transportation Integrated Search

    1971-01-01

    A general method for the solution of large, sparsely banded, positive-definite, coefficient matrices is presented. The goal in developing the method was to produce an efficient and reliable solution process and to provide the user-programmer with a p...

  16. Isotope dilution liquid chromatography - mass spectrometry methods for fat- and water-soluble vitamins in nutritional formulations.

    PubMed

    Phinney, Karen W; Rimmer, Catherine A; Thomas, Jeanice Brown; Sander, Lane C; Sharpless, Katherine E; Wise, Stephen A

    2011-01-01

    Vitamins are essential to human health, and dietary supplements containing vitamins are widely used by individuals hoping to ensure they have adequate intake of these important nutrients. Measurement of vitamins in nutritional formulations is necessary to monitor regulatory compliance and in studies examining the nutrient intake of specific populations. Liquid chromatographic methods, primarily with UV absorbance detection, are well established for both fat- and water-soluble measurements, but they do have limitations for certain analytes and may suffer from a lack of specificity in complex matrices. Liquid chromatography-mass spectrometry (LC-MS) provides both sensitivity and specificity for the determination of vitamins in these matrices, and simultaneous analysis of multiple vitamins in a single analysis is often possible. In this work, LC-MS methods were developed for both fat- and water-soluble vitamins and applied to the measurement of these analytes in two NIST Standard Reference Materials. When possible, stable isotope labeled internal standards were employed for quantification.

  17. Anthropogenic activities impact on atmospheric environmental quality in a gas-flaring community: application of fuzzy logic modelling concept.

    PubMed

    Akintola, Olayiwola Akin; Sangodoyin, Abimbola Yisau; Agunbiade, Foluso Oyedotun

    2018-05-24

    We present a modelling concept for evaluating the impacts of anthropogenic activities suspected to be from gas flaring on the quality of the atmosphere using domestic roof-harvested rainwater (DRHRW) as indicator. We analysed seven metals (Cu, Cd, Pb, Zn, Fe, Ca, and Mg) and six water quality parameters (acidity, PO 4 3- , SO 4 2- , NO 3 - , Cl - , and pH). These were used as input parameters in 12 sampling points from gas-flaring environments (Port Harcourt, Nigeria) using Ibadan as reference. We formulated the results of these input parameters into membership function fuzzy matrices based on four degrees of impact: extremely high, high, medium, and low, using regulatory limits as criteria. We generated indices that classified the degree of anthropogenic activity impact on the sites from the product membership function matrices and weight matrices, with investigated (gas-flaring) environment as between medium and high impact compared to those from reference (residential) environment that was classified as between low and medium impact. Major contaminants of concern found in the harvested rainwater were Pb and Cd. There is also the urgent need to stop gas-flaring activities in Port Harcourt area in particular and Niger Delta region of Nigeria in general, so as to minimise the untold health hazard that people living in the area are currently faced with. The fuzzy methodology presented has also indicated that the water cannot safely support potable uses and should not be consumed without purification due to the impact of anthropogenic activities in the area but may be useful for other domestic purposes.

  18. Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures

    NASA Technical Reports Server (NTRS)

    Vlahopoulos, Nickolas; Schiller, Noah H.

    2011-01-01

    The Energy Finite Element Analysis (EFEA) has been utilized successfully for modeling complex structural-acoustic systems with isotropic structural material properties. In this paper, a formulation for modeling structures made out of composite materials is presented. An approach based on spectral finite element analysis is utilized first for developing the equivalent material properties for the composite material. These equivalent properties are employed in the EFEA governing differential equations for representing the composite materials and deriving the element level matrices. The power transmission characteristics at connections between members made out of non-isotropic composite material are considered for deriving suitable power transmission coefficients at junctions of interconnected members. These coefficients are utilized for computing the joint matrix that is needed to assemble the global system of EFEA equations. The global system of EFEA equations is solved numerically and the vibration levels within the entire system can be computed. The new EFEA formulation for modeling composite laminate structures is validated through comparison to test data collected from a representative composite aircraft fuselage that is made out of a composite outer shell and composite frames and stiffeners. NASA Langley constructed the composite cylinder and conducted the test measurements utilized in this work.

  19. Novel Polyurethane Matrix Systems Reveal a Particular Sustained Release Behavior Studied by Imaging and Computational Modeling.

    PubMed

    Campiñez, María Dolores; Caraballo, Isidoro; Puchkov, Maxim; Kuentz, Martin

    2017-07-01

    The aim of the present work was to better understand the drug-release mechanism from sustained release matrices prepared with two new polyurethanes, using a novel in silico formulation tool based on 3-dimensional cellular automata. For this purpose, two polymers and theophylline as model drug were used to prepare binary matrix tablets. Each formulation was simulated in silico, and its release behavior was compared to the experimental drug release profiles. Furthermore, the polymer distributions in the tablets were imaged by scanning electron microscopy (SEM) and the changes produced by the tortuosity were quantified and verified using experimental data. The obtained results showed that the polymers exhibited a surprisingly high ability for controlling drug release at low excipient concentrations (only 10% w/w of excipient controlled the release of drug during almost 8 h). The mesoscopic in silico model helped to reveal how the novel biopolymers were controlling drug release. The mechanism was found to be a special geometrical arrangement of the excipient particles, creating an almost continuous barrier surrounding the drug in a very effective way, comparable to lipid or waxy excipients but with the advantages of a much higher compactability, stability, and absence of excipient polymorphism.

  20. STABCAR: A program for finding characteristic root systems having transcendental stability matrices

    NASA Technical Reports Server (NTRS)

    Adams, W. M., Jr.; Tiffany, S. H.; Newsom, J. R.; Peele, E. L.

    1984-01-01

    STABCAR can be used to determine the characteristic roots of flexible, actively controlled aircraft, including the effects of unsteady aerodynamics. A modal formulation and a transfer-matrix representation of the control system are employed. Operable in either a batch or an interactive mode, STABCAR can provide graphical or tabular output of the variation of the roots with velocity, density, altitude, dynamic pressure or feedback gains. Herein the mathematical model, program structure, input requirements, output capabilities, and a series of sample cases are detailed. STABCAR was written for use on CDC CYBER 175 equipment; modification would be required for operation on other machines.

  1. Interactions Between Flavonoid-Rich Extracts and Sodium Caseinate Modulate Protein Functionality and Flavonoid Bioaccessibility in Model Food Systems.

    PubMed

    Elegbede, Jennifer L; Li, Min; Jones, Owen G; Campanella, Osvaldo H; Ferruzzi, Mario G

    2018-05-01

    With growing interest in formulating new food products with added protein and flavonoid-rich ingredients for health benefits, direct interactions between these ingredient classes becomes critical in so much as they may impact protein functionality, product quality, and flavonoids bioavailability. In this study, sodium caseinate (SCN)-based model products (foams and emulsions) were formulated with grape seed extract (GSE, rich in galloylated flavonoids) and green tea extract (GTE, rich in nongalloylated flavonoids), respectively, to assess changes in functional properties of SCN and impacts on flavonoid bioaccessibility. Experiments with pure flavonoids suggested that galloylated flavonoids reduced air-water interfacial tension of 0.01% SCN dispersions more significantly than nongalloylated flavonoids at high concentrations (>50 μg/mL). This observation was supported by changes in stability of 5% SCN foam, which showed that foam stability was increased at high levels of GSE (≥50 μg/mL, P < 0.05) but was not affected by GTE. However, flavonoid extracts had modest effects on SCN emulsion. In addition, galloylated flavonoids had higher bioaccessibility in both SCN foam and emulsion. These results suggest that SCN-flavonoid binding interactions can modulate protein functionality leading to difference in performance and flavonoid bioaccessibility of protein-based products. As information on the beneficial health effects of flavonoids expands, it is likely that usage of these ingredients in consumer foods will increase. However, the necessary levels to provide such benefits may exceed those that begin to impact functionality of the macronutrients such as proteins. Flavonoid inclusion within protein matrices may modulate protein functionality in a food system and modify critical consumer traits or delivery of these beneficial plant-derived components. The product matrices utilized in this study offer relevant model systems to evaluate how fortification with flavonoid-rich extracts allows for differing effects on formability and stability of the protein-based systems, and on bioaccessibility of fortified flavonoid extracts. © 2018 Institute of Food Technologists®.

  2. Low molecular weight polylactic acid as a matrix for the delayed release of pesticides.

    PubMed

    Zhao, Jing; Wilkins, Richard M

    2005-05-18

    Low molecular weight polylactic acid (LMW PLA) was used as a matrix to formulate biodegradable matrix granules and films with bromacil using a melt process. The compatibility of the PLA with bromacil was evaluated. The release characteristics of the formulations were investigated in vitro. The degradation and erosion of the formulations were monitored by pH and gravimetric analysis during the course of release. Various granules and films had similar biphasic release patterns, a delayed release followed by an explosive release. The release rates were independent of bromacil content in the matrix, but varied with the geometry of matrices. The mechanisms of diffusion and erosion were involved in the release. The delayed release of the formulations was dominantly governed by the degradation and erosion of PLA. LMW PLA underwent bulk erosion. LMW PLA-based matrix formulations could thus be useful for the application of pesticides to sensitive targets such as seed treatment.

  3. Systematic evaluation of common lubricants for optimal use in tablet formulation.

    PubMed

    Paul, Shubhajit; Sun, Changquan Calvin

    2018-05-30

    As an essential formulation component for large-scale tablet manufacturing, the lubricant preserves tooling by reducing die-wall friction. Unfortunately, lubrication also often results in adverse effects on tablet characteristics, such as prolonged disintegration, slowed dissolution, and reduced mechanical strength. Therefore, the choice of lubricant and its optimal concentration in a tablet formulation is a critical decision in tablet formulation development to attain low die-wall friction while minimizing negative impact on other tablet properties. Three commercially available tablet lubricants, i.e., magnesium stearate, sodium stearyl fumerate, and stearic acid, were systematically investigated in both plastic and brittle matrices to elucidate their effects on reducing die-wall friction, tablet strength, tablet hardness, tablet friability, and tablet disintegration kinetics. Clear understanding of the lubrication efficiency of commonly used lubricants as well as their impact on tablet characteristics would help future tablet formulation efforts. Copyright © 2018 Elsevier B.V. All rights reserved.

  4. Full-Duplex Bidirectional Secure Communications Under Perfect and Distributionally Ambiguous Eavesdropper's CSI

    NASA Astrophysics Data System (ADS)

    Li, Qiang; Zhang, Ying; Lin, Jingran; Wu, Sissi Xiaoxiao

    2017-09-01

    Consider a full-duplex (FD) bidirectional secure communication system, where two communication nodes, named Alice and Bob, simultaneously transmit and receive confidential information from each other, and an eavesdropper, named Eve, overhears the transmissions. Our goal is to maximize the sum secrecy rate (SSR) of the bidirectional transmissions by optimizing the transmit covariance matrices at Alice and Bob. To tackle this SSR maximization (SSRM) problem, we develop an alternating difference-of-concave (ADC) programming approach to alternately optimize the transmit covariance matrices at Alice and Bob. We show that the ADC iteration has a semi-closed-form beamforming solution, and is guaranteed to converge to a stationary solution of the SSRM problem. Besides the SSRM design, this paper also deals with a robust SSRM transmit design under a moment-based random channel state information (CSI) model, where only some roughly estimated first and second-order statistics of Eve's CSI are available, but the exact distribution or other high-order statistics is not known. This moment-based error model is new and different from the widely used bounded-sphere error model and the Gaussian random error model. Under the consider CSI error model, the robust SSRM is formulated as an outage probability-constrained SSRM problem. By leveraging the Lagrangian duality theory and DC programming, a tractable safe solution to the robust SSRM problem is derived. The effectiveness and the robustness of the proposed designs are demonstrated through simulations.

  5. Parallel Finite Element Domain Decomposition for Structural/Acoustic Analysis

    NASA Technical Reports Server (NTRS)

    Nguyen, Duc T.; Tungkahotara, Siroj; Watson, Willie R.; Rajan, Subramaniam D.

    2005-01-01

    A domain decomposition (DD) formulation for solving sparse linear systems of equations resulting from finite element analysis is presented. The formulation incorporates mixed direct and iterative equation solving strategics and other novel algorithmic ideas that are optimized to take advantage of sparsity and exploit modern computer architecture, such as memory and parallel computing. The most time consuming part of the formulation is identified and the critical roles of direct sparse and iterative solvers within the framework of the formulation are discussed. Experiments on several computer platforms using several complex test matrices are conducted using software based on the formulation. Small-scale structural examples are used to validate thc steps in the formulation and large-scale (l,000,000+ unknowns) duct acoustic examples are used to evaluate the ORIGIN 2000 processors, and a duster of 6 PCs (running under the Windows environment). Statistics show that the formulation is efficient in both sequential and parallel computing environmental and that the formulation is significantly faster and consumes less memory than that based on one of the best available commercialized parallel sparse solvers.

  6. Fast Euler solver for transonic airfoils. I - Theory. II - Applications

    NASA Technical Reports Server (NTRS)

    Dadone, Andrea; Moretti, Gino

    1988-01-01

    Equations written in terms of generalized Riemann variables are presently integrated by inverting six bidiagonal matrices and two tridiagonal matrices, using an implicit Euler solver that is based on the lambda-formulation. The solution is found on a C-grid whose boundaries are very close to the airfoil. The fast solver is then applied to the computation of several flowfields on a NACA 0012 airfoil at various Mach number and alpha values, yielding results that are primarily concerned with transonic flows. The effects of grid fineness and boundary distances are analyzed; the code is found to be robust and accurate, as well as fast.

  7. Explicit formulation of an anisotropic Allman/DKT 3-node thin triangular flat shell elements

    NASA Astrophysics Data System (ADS)

    Ertas, A.; Krafcik, J. T.; Ekwaro-Osire, S.

    A simple, explicit formulation of the stiffness matrix for an anisotropic, 3-node, thin triangular, flat shell element in global coordinates is presented. An Allman triangle is used for membrane stiffness. The membrane stiffness matrix is explicitly derived by applying an Allman transformation to a Felippa 6-node linear strain triangle (LST). Bending stiffness is incorporated by the use of a discrete Kirchhoff triangle (DKT) bending triangle. Stiffness terms resulting from anisotropic membrane-bending coupling are included by integrating, in area coordinates, membrane and bending strain-displacement matrices.

  8. A formulation of the foundations of genetics and evolution.

    PubMed

    Bahr, Brian Edward

    2016-05-01

    This paper proposes a formulation of theories of the foundations of genetics and evolution that can be used to mathematically simulate phenotype expression, reproduction, mutation, and natural selection. It will be shown that Mendelian inheritance can be mathematically simulated with expressions involving matrices and that these expressions can also simulate phenomena that are modifications to Mendel's basic principles, like alleles that give rise to quantitative effects and traits that are the expression of multiple alleles and/or multiple genetic loci. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Formulation and evaluation of diclofenac controlled release matrix tablets made of HPMC and Poloxamer 188 polymer: An assessment on mechanism of drug release.

    PubMed

    Al-Hanbali, Othman A; Hamed, Rania; Arafat, Mosab; Bakkour, Youssef; Al-Matubsi, Hisham; Mansour, Randa; Al-Bataineh, Yazan; Aldhoun, Mohammad; Sarfraz, Muhammad; Dardas, Abdel Khaleq Yousef

    2018-01-01

    In this study, hydrophilic hydroxypropyl methylcellulose matrices with various concentrations of Poloxamer 188 were used in the development of oral controlled release tablets containing diclofenac sodium. Four formulations of hydrophilic matrix tablets containing 16.7% w/w HPMC and 0, 6.7, 16.7 and 25.0% w/w Poloxamer 188, respectively, were developed. Tablets were prepared by direct compression and characterized for diameter, hardness, thickness, weight and uniformity of content. The influence of various blends of hydroxypropyl methylcellulose and Poloxamer 188 on the in vitro dissolution profile and mechanism of drug release of was investigated. In the four formulations, the rate of drug release decreased with increasing the concentration of Poloxamer 188 at the initial dissolution stages due to the increase in the apparent viscosity of the gel diffusion layer. However, in the late dissolution stages, the rate of drug release increased with increasing Poloxamer 188 concentration due to the increase in wettability and dissolution of the matrix. The kinetic of drug release from the tablets followed non-Fickian mechanism, as predicted by Korsmeyer-Peppas model, which involves diffusion through the gel layer and erosion of the matrix system.

  10. Low-lying scalars in an extended linear σ model

    NASA Astrophysics Data System (ADS)

    Mukherjee, Tamal K.; Huang, Mei; Yan, Qi-Shu

    2012-12-01

    We formulate an extended linear σ model of a quarkonia nonet and a tetraquark nonet as well as a complex isosinglet (glueball) by virtue of chiral symmetry SUL(3)×SUR(3) and UA(1) symmetry. In the linear realization formalism, we study the mass spectra and components of the low-lying scalars and pseudoscalars in this model. The mass matrices for physical states are obtained and the glueball candidates are examined. We find that the model can accommodate the mass spectra of low-lying states quite well. Our fits indicate that the most glueball-like scalar should be 2 GeV or higher while the glueball pseudoscalar is η(1756). We also examine the parameter region where the lightest isoscalar f0(600) can be the glueball and quarkonia dominant but find such a parameter region may be confronted with the problem of the unbounded vacuum from below.

  11. A probabilistic framework to infer brain functional connectivity from anatomical connections.

    PubMed

    Deligianni, Fani; Varoquaux, Gael; Thirion, Bertrand; Robinson, Emma; Sharp, David J; Edwards, A David; Rueckert, Daniel

    2011-01-01

    We present a novel probabilistic framework to learn across several subjects a mapping from brain anatomical connectivity to functional connectivity, i.e. the covariance structure of brain activity. This prediction problem must be formulated as a structured-output learning task, as the predicted parameters are strongly correlated. We introduce a model selection framework based on cross-validation with a parametrization-independent loss function suitable to the manifold of covariance matrices. Our model is based on constraining the conditional independence structure of functional activity by the anatomical connectivity. Subsequently, we learn a linear predictor of a stationary multivariate autoregressive model. This natural parameterization of functional connectivity also enforces the positive-definiteness of the predicted covariance and thus matches the structure of the output space. Our results show that functional connectivity can be explained by anatomical connectivity on a rigorous statistical basis, and that a proper model of functional connectivity is essential to assess this link.

  12. An isogeometric boundary element method for electromagnetic scattering with compatible B-spline discretizations

    NASA Astrophysics Data System (ADS)

    Simpson, R. N.; Liu, Z.; Vázquez, R.; Evans, J. A.

    2018-06-01

    We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform Rational B-splines to represent model geometry and compatible B-splines to approximate the surface current, and adopts the isogeometric concept in which the basis for analysis is taken directly from CAD (geometry) data. The approach allows for high-order approximations and crucially provides a direct link with CAD data structures that allows for efficient design workflows. After outlining the construction of div- and curl-conforming B-splines defined over 3D surfaces we describe their use with the electric and magnetic field integral equations using a Galerkin formulation. We use Bézier extraction to accelerate the computation of NURBS and B-spline terms and employ H-matrices to provide accelerated computations and memory reduction for the dense matrices that result from the boundary integral discretization. The method is verified using the well known Mie scattering problem posed over a perfectly electrically conducting sphere and the classic NASA almond problem. Finally, we demonstrate the ability of the approach to handle models with complex geometry directly from CAD without mesh generation.

  13. Physically weighted approximations of unsteady aerodynamic forces using the minimum-state method

    NASA Technical Reports Server (NTRS)

    Karpel, Mordechay; Hoadley, Sherwood Tiffany

    1991-01-01

    The Minimum-State Method for rational approximation of unsteady aerodynamic force coefficient matrices, modified to allow physical weighting of the tabulated aerodynamic data, is presented. The approximation formula and the associated time-domain, state-space, open-loop equations of motion are given, and the numerical procedure for calculating the approximation matrices, with weighted data and with various equality constraints are described. Two data weighting options are presented. The first weighting is for normalizing the aerodynamic data to maximum unit value of each aerodynamic coefficient. The second weighting is one in which each tabulated coefficient, at each reduced frequency value, is weighted according to the effect of an incremental error of this coefficient on aeroelastic characteristics of the system. This weighting yields a better fit of the more important terms, at the expense of less important ones. The resulting approximate yields a relatively low number of aerodynamic lag states in the subsequent state-space model. The formulation forms the basis of the MIST computer program which is written in FORTRAN for use on the MicroVAX computer and interfaces with NASA's Interaction of Structures, Aerodynamics and Controls (ISAC) computer program. The program structure, capabilities and interfaces are outlined in the appendices, and a numerical example which utilizes Rockwell's Active Flexible Wing (AFW) model is given and discussed.

  14. Formulation of the linear model from the nonlinear simulation for the F18 HARV

    NASA Technical Reports Server (NTRS)

    Hall, Charles E., Jr.

    1991-01-01

    The F-18 HARV is a modified F-18 Aircraft which is capable of flying in the post-stall regime in order to achieve superagility. The onset of aerodynamic stall, and continued into the post-stall region, is characterized by nonlinearities in the aerodynamic coefficients. These aerodynamic coefficients are not expressed as analytic functions, but rather in the form of tabular data. The nonlinearities in the aerodynamic coefficients yield a nonlinear model of the aircraft's dynamics. Nonlinear system theory has made many advances, but this area is not sufficiently developed to allow its application to this problem, since many of the theorems are existance theorems and that the systems are composed of analytic functions. Thus, the feedback matrices and the state estimators are obtained from linear system theory techniques. It is important, in order to obtain the correct feedback matrices and state estimators, that the linear description of the nonlinear flight dynamics be as accurate as possible. A nonlinear simulation is run under the Advanced Continuous Simulation Language (ACSL). The ACSL simulation uses FORTRAN subroutines to interface to the look-up tables for the aerodynamic data. ACSL has commands to form the linear representation for the system. Other aspects of this investigation are discussed.

  15. A path following algorithm for the graph matching problem.

    PubMed

    Zaslavskiy, Mikhail; Bach, Francis; Vert, Jean-Philippe

    2009-12-01

    We propose a convex-concave programming approach for the labeled weighted graph matching problem. The convex-concave programming formulation is obtained by rewriting the weighted graph matching problem as a least-square problem on the set of permutation matrices and relaxing it to two different optimization problems: a quadratic convex and a quadratic concave optimization problem on the set of doubly stochastic matrices. The concave relaxation has the same global minimum as the initial graph matching problem, but the search for its global minimum is also a hard combinatorial problem. We, therefore, construct an approximation of the concave problem solution by following a solution path of a convex-concave problem obtained by linear interpolation of the convex and concave formulations, starting from the convex relaxation. This method allows to easily integrate the information on graph label similarities into the optimization problem, and therefore, perform labeled weighted graph matching. The algorithm is compared with some of the best performing graph matching methods on four data sets: simulated graphs, QAPLib, retina vessel images, and handwritten Chinese characters. In all cases, the results are competitive with the state of the art.

  16. The numerical-analytical implementation of the cross-sections method to the open waveguide transition of the "horn" type

    NASA Astrophysics Data System (ADS)

    Divakov, Dmitriy; Malykh, Mikhail; Sevastianov, Leonid; Sevastianov, Anton; Tiutiunnik, Anastasiia

    2017-04-01

    In the paper we construct a method for approximate solution of the waveguide problem for guided modes of an open irregular waveguide transition. The method is based on straightening of the curved waveguide boundaries by introducing new variables and applying the Kantorovich method to the problem formulated in the new variables to get a system of ordinary second-order differential equations. In the method, the boundary conditions are formulated by analogy with the partial radiation conditions in the similar problem for closed waveguide transitions. The method is implemented in the symbolic-numeric form using the Maple computer algebra system. The coefficient matrices of the system of differential equations and boundary conditions are calculated symbolically, and then the obtained boundary-value problem is solved numerically using the finite difference method. The chosen coordinate functions of Kantorovich expansions provide good conditionality of the coefficient matrices. The numerical experiment simulating the propagation of guided modes in the open waveguide transition confirms the validity of the method proposed to solve the problem.

  17. pyJac: Analytical Jacobian generator for chemical kinetics

    NASA Astrophysics Data System (ADS)

    Niemeyer, Kyle E.; Curtis, Nicholas J.; Sung, Chih-Jen

    2017-06-01

    Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for hydrocarbon fuels of practical interest typically have large numbers of species and reactions and exhibit high levels of mathematical stiffness in the governing differential equations, particularly for larger fuel molecules. In order to integrate the stiff equations governing chemical kinetics, generally reactive-flow simulations rely on implicit algorithms that require frequent Jacobian matrix evaluations. Some in situ and a posteriori computational diagnostics methods also require accurate Jacobian matrices, including computational singular perturbation and chemical explosive mode analysis. Typically, finite differences numerically approximate these, but for larger chemical kinetic models this poses significant computational demands since the number of chemical source term evaluations scales with the square of species count. Furthermore, existing analytical Jacobian tools do not optimize evaluations or support emerging SIMD processors such as GPUs. Here we introduce pyJac, a Python-based open-source program that generates analytical Jacobian matrices for use in chemical kinetics modeling and analysis. In addition to producing the necessary customized source code for evaluating reaction rates (including all modern reaction rate formulations), the chemical source terms, and the Jacobian matrix, pyJac uses an optimized evaluation order to minimize computational and memory operations. As a demonstration, we first establish the correctness of the Jacobian matrices for kinetic models of hydrogen, methane, ethylene, and isopentanol oxidation (number of species ranging 13-360) by showing agreement within 0.001% of matrices obtained via automatic differentiation. We then demonstrate the performance achievable on CPUs and GPUs using pyJac via matrix evaluation timing comparisons; the routines produced by pyJac outperformed first-order finite differences by 3-7.5 times and the existing analytical Jacobian software TChem by 1.1-2.2 times on a single-threaded basis. It is noted that TChem is not thread-safe, while pyJac is easily parallelized, and hence can greatly outperform TChem on multicore CPUs. The Jacobian matrix generator we describe here will be useful for reducing the cost of integrating chemical source terms with implicit algorithms in particular and algorithms that require an accurate Jacobian matrix in general. Furthermore, the open-source release of the program and Python-based implementation will enable wide adoption.

  18. The controlled release of bioactive compounds from lignin and lignin-based biopolymer matrices.

    PubMed

    Chowdhury, Mohammad A

    2014-04-01

    This article presents the perspectives on the lignin-based controlled release (CR) of bioactive materials which are based on the researches that took place over the last three decades. It encompasses three broad spectra of observations: CR formulations with mixed-matrix of lignin; CR formulations with modified lignin; and the lignin-based CR formulation modelling. The article covers a range of bioactive materials aimed for agricultural utilisations viz. herbicides, pesticides, insecticides and fertilisers for their controlled release studies, which were formulated either with lignin or lignin-based biopolymers. The inherent complexities, structural heterogeneities, and the presence of myriad range of functionalities in the lignin structure make it difficult to understand and explaining the underlying CR behaviour and process. In conjunction to this issue, the fundamental aspects of the synthetic and biocompatible polymer-based drug controlled release process are presented, and correlated with the lignin-based CR research. The articulation of this correlation and the overview presented in this article may be complemented of the future lignin-based CR research gaining better insights, reflections, and understanding. A recommended approach on the lignin depolymerisation is suggested to fragmenting the lignin, which may be tailored further using the re-polymerisation or other synthetic approaches. Thus it may allow more control with flexibilities and improved properties of the modified lignin materials, and help achieve the desired CR outcomes. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Sequential Least-Squares Using Orthogonal Transformations. [spacecraft communication/spacecraft tracking-data smoothing

    NASA Technical Reports Server (NTRS)

    Bierman, G. J.

    1975-01-01

    Square root information estimation, starting from its beginnings in least-squares parameter estimation, is considered. Special attention is devoted to discussions of sensitivity and perturbation matrices, computed solutions and their formal statistics, consider-parameters and consider-covariances, and the effects of a priori statistics. The constant-parameter model is extended to include time-varying parameters and process noise, and the error analysis capabilities are generalized. Efficient and elegant smoothing results are obtained as easy consequences of the filter formulation. The value of the techniques is demonstrated by the navigation results that were obtained for the Mariner Venus-Mercury (Mariner 10) multiple-planetary space probe and for the Viking Mars space mission.

  20. Compliance matrices for cracked bodies

    NASA Technical Reports Server (NTRS)

    Ballarini, R.

    1986-01-01

    An algorithm is developed to construct the compliance matrix for a cracked solid in the integral-equation formulation of two-dimensional linear-elastic fracture mechanics. The integral equation is reduced to a system of algebraic equations for unknown values of the dislocation-density function at discrete points on the interval from -1 to 1, using the numerical procedure described by Gerasoulis (1982). Sample numerical results are presented, and it is suggested that the algorithm is especially useful in cases where iterative solutions are required; e.g., models of fiber-reinforced concrete, rocks, or ceramics where microcracking, fiber bridging, and other nonlinear effects are treated as nonlinear springs along the crack surfaces (Ballarini et al., 1984).

  1. Mechanics of finger-tip electronics

    NASA Astrophysics Data System (ADS)

    Su, Yewang; Li, Rui; Cheng, Huanyu; Ying, Ming; Bonifas, Andrew P.; Hwang, Keh-Chih; Rogers, John A.; Huang, Yonggang

    2013-10-01

    Tactile sensors and electrotactile stimulators can provide important links between humans and virtual environments, through the sensation of touch. Soft materials, such as low modulus silicones, are attractive as platforms and support matrices for arrays sensors and actuators that laminate directly onto the fingertips. Analytic models for the mechanics of three dimensional, form-fitting finger cuffs based on such designs are presented here, along with quantitative validation using the finite element method. The results indicate that the maximum strains in the silicone and the embedded devices are inversely proportional to the square root of radius of curvature of the cuff. These and other findings can be useful in formulating designs for these and related classes of body-worn, three dimensional devices.

  2. Use of symbolic computation in robotics education

    NASA Technical Reports Server (NTRS)

    Vira, Naren; Tunstel, Edward

    1992-01-01

    An application of symbolic computation in robotics education is described. A software package is presented which combines generality, user interaction, and user-friendliness with the systematic usage of symbolic computation and artificial intelligence techniques. The software utilizes MACSYMA, a LISP-based symbolic algebra language, to automatically generate closed-form expressions representing forward and inverse kinematics solutions, the Jacobian transformation matrices, robot pose error-compensation models equations, and Lagrange dynamics formulation for N degree-of-freedom, open chain robotic manipulators. The goal of such a package is to aid faculty and students in the robotics course by removing burdensome tasks of mathematical manipulations. The software package has been successfully tested for its accuracy using commercially available robots.

  3. The effect of pH and ionic strength of dissolution media on in-vitro release of two model drugs of different solubilities from HPMC matrices.

    PubMed

    Asare-Addo, Kofi; Conway, Barbara R; Larhrib, Hassan; Levina, Marina; Rajabi-Siahboomi, Ali R; Tetteh, John; Boateng, Joshua; Nokhodchi, Ali

    2013-11-01

    The evaluation of the effects of different media ionic strengths and pH on the release of hydrochlorothiazide, a poorly soluble drug, and diltiazem hydrochloride, a cationic and soluble drug, from a gel forming hydrophilic polymeric matrix was the objective of this study. The drug to polymer ratio of formulated tablets was 4:1. Hydrochlorothiazide or diltiazem HCl extended release (ER) matrices containing hypromellose (hydroxypropyl methylcellulose (HPMC)) were evaluated in media with a pH range of 1.2-7.5, using an automated USP type III, Bio-Dis dissolution apparatus. The ionic strength of the media was varied over a range of 0-0.4M to simulate the gastrointestinal fed and fasted states and various physiological pH conditions. Sodium chloride was used for ionic regulation due to its ability to salt out polymers in the midrange of the lyotropic series. The results showed that the ionic strength had a profound effect on the drug release from the diltiazem HCl K100LV matrices. The K4M, K15M and K100M tablets however withstood the effects of media ionic strength and showed a decrease in drug release to occur with an increase in ionic strength. For example, drug release after the 1h mark for the K100M matrices in water was 36%. Drug release in pH 1.2 after 1h was 30%. An increase of the pH 1.2 ionic strength to 0.4M saw a reduction of drug release to 26%. This was the general trend for the K4M and K15M matrices as well. The similarity factor f2 was calculated using drug release in water as a reference. Despite similarity occurring for all the diltiazem HCl matrices in the pH 1.2 media (f2=64-72), increases of ionic strength at 0.2M and 0.4M brought about dissimilarity. The hydrochlorothiazide tablet matrices showed similarity at all the ionic strength tested for all polymers (f2=56-81). The values of f2 however reduced with increasing ionic strengths. DSC hydration results explained the hydrochlorothiazide release from their HPMC matrices. There was an increase in bound water as ionic strengths increased. Texture analysis was employed to determine the gel strength and also to explain the drug release for the diltiazem hydrochloride. This methodology can be used as a valuable tool for predicting potential ionic effects related to in vivo fed and fasted states on drug release from hydrophilic ER matrices. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Fluctuating volume-current formulation of electromagnetic fluctuations in inhomogeneous media: Incandescence and luminescence in arbitrary geometries

    NASA Astrophysics Data System (ADS)

    Polimeridis, Athanasios G.; Reid, M. T. H.; Jin, Weiliang; Johnson, Steven G.; White, Jacob K.; Rodriguez, Alejandro W.

    2015-10-01

    We describe a fluctuating volume-current formulation of electromagnetic fluctuations that extends our recent work on heat exchange and Casimir interactions between arbitrarily shaped homogeneous bodies [A. W. Rodriguez, M. T. H. Reid, and S. G. Johnson, Phys. Rev. B 88, 054305 (2013), 10.1103/PhysRevB.88.054305] to situations involving incandescence and luminescence problems, including thermal radiation, heat transfer, Casimir forces, spontaneous emission, fluorescence, and Raman scattering, in inhomogeneous media. Unlike previous scattering formulations based on field and/or surface unknowns, our work exploits powerful techniques from the volume-integral equation (VIE) method, in which electromagnetic scattering is described in terms of volumetric, current unknowns throughout the bodies. The resulting trace formulas (boxed equations) involve products of well-studied VIE matrices and describe power and momentum transfer between objects with spatially varying material properties and fluctuation characteristics. We demonstrate that thanks to the low-rank properties of the associated matrices, these formulas are susceptible to fast-trace computations based on iterative methods, making practical calculations tractable. We apply our techniques to study thermal radiation, heat transfer, and fluorescence in complicated geometries, checking our method against established techniques best suited for homogeneous bodies as well as applying it to obtain predictions of radiation from complex bodies with spatially varying permittivities and/or temperature profiles.

  5. An integrated system for dissolution studies and magnetic resonance imaging of controlled release, polymer-based dosage forms-a tool for quantitative assessment of hydrogel formation processes.

    PubMed

    Kulinowski, Piotr; Dorozyński, Przemysław; Jachowicz, Renata; Weglarz, Władysław P

    2008-11-04

    Controlled release (CR) dosage forms are often based on polymeric matrices, e.g., sustained-release tablets and capsules. It is crucial to visualise and quantify processes of the hydrogel formation during the standard dissolution study. A method for imaging of CR, polymer-based dosage forms during dissolution study in vitro is presented. Imaging was performed in a non-invasive way by means of the magnetic resonance imaging (MRI). This study was designed to simulate in vivo conditions regarding temperature, volume, state and composition of dissolution media. Two formulations of hydrodynamically balanced systems (HBS) were chosen as model CR dosage forms. HBS release active substance in stomach while floating on the surface of the gastric content. Time evolutions of the diffusion region, hydrogel formation region and "dry core" region were obtained during a dissolution study of L-dopa as a model drug in two simulated gastric fluids (i.e. in fed and fasted state). This method seems to be a very promising tool for examining properties of new formulations of CR, polymer-based dosage forms or for comparison of generic and originator dosage forms before carrying out bioequivalence studies.

  6. Structure-Function Network Mapping and Its Assessment via Persistent Homology

    PubMed Central

    2017-01-01

    Understanding the relationship between brain structure and function is a fundamental problem in network neuroscience. This work deals with the general method of structure-function mapping at the whole-brain level. We formulate the problem as a topological mapping of structure-function connectivity via matrix function, and find a stable solution by exploiting a regularization procedure to cope with large matrices. We introduce a novel measure of network similarity based on persistent homology for assessing the quality of the network mapping, which enables a detailed comparison of network topological changes across all possible thresholds, rather than just at a single, arbitrary threshold that may not be optimal. We demonstrate that our approach can uncover the direct and indirect structural paths for predicting functional connectivity, and our network similarity measure outperforms other currently available methods. We systematically validate our approach with (1) a comparison of regularized vs. non-regularized procedures, (2) a null model of the degree-preserving random rewired structural matrix, (3) different network types (binary vs. weighted matrices), and (4) different brain parcellation schemes (low vs. high resolutions). Finally, we evaluate the scalability of our method with relatively large matrices (2514x2514) of structural and functional connectivity obtained from 12 healthy human subjects measured non-invasively while at rest. Our results reveal a nonlinear structure-function relationship, suggesting that the resting-state functional connectivity depends on direct structural connections, as well as relatively parsimonious indirect connections via polysynaptic pathways. PMID:28046127

  7. Comparative analysis of quantum cascade laser modeling based on density matrices and non-equilibrium Green's functions

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

    Lindskog, M., E-mail: martin.lindskog@teorfys.lu.se; Wacker, A.; Wolf, J. M.

    2014-09-08

    We study the operation of an 8.5 μm quantum cascade laser based on GaInAs/AlInAs lattice matched to InP using three different simulation models based on density matrix (DM) and non-equilibrium Green's function (NEGF) formulations. The latter advanced scheme serves as a validation for the simpler DM schemes and, at the same time, provides additional insight, such as the temperatures of the sub-band carrier distributions. We find that for the particular quantum cascade laser studied here, the behavior is well described by simple quantum mechanical estimates based on Fermi's golden rule. As a consequence, the DM model, which includes second order currents,more » agrees well with the NEGF results. Both these simulations are in accordance with previously reported data and a second regrown device.« less

  8. Modelling Dowel Action of Discrete Reinforcing Bars in Cracked Concrete Structures

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

    Kwan, A. K. H.; Ng, P. L.; Lam, J. Y. K.

    2010-05-21

    Dowel action is one of the component actions for shear force transfer in cracked reinforced concrete. In finite element analysis of concrete structures, the use of discrete representation of reinforcing bars is considered advantageous over the smeared representation due to the relative ease of modelling the bond-slip behaviour. However, there is very limited research on how to simulate the dowel action of discrete reinforcing bars. Herein, a numerical model for dowel action of discrete reinforcing bars crossing cracks in concrete is developed. The model features the derivation of dowel stiffness matrix based on beam-on-elastic-foundation theory and the direct assemblage ofmore » dowel stiffness into the concrete element stiffness matrices. The dowel action model is incorporated in a nonlinear finite element programme with secant stiffness formulation. Deep beams tested in the literature are analysed and it is found that the incorporation of dowel action model improves the accuracy of analysis.« less

  9. Formulation of the proper equations for developing standards in coherent dual polarisation SAR imaging

    NASA Astrophysics Data System (ADS)

    Boerner, W.-M.; Kostinski, A. B.

    1988-08-01

    Crucial inconsistencies in the basic equations of radar polarimetry which are common in the literature were detected. The formulations of the polarization state definitions given in the IEEE/ANSI Standards 149-1979 are in error. These and other inconsistencies and conceptual errors are discussed. The correct formulae for the proposed revision of the polarimetric standards together with a well-defined and consistent procedure for measuring target scattering matrices in monostatic and bistatic arrangements are given. The proposed procedure can be applied to an arbitrary measurement process in any general elliptical polarization basis.

  10. Application of mixture experimental design in the formulation and optimization of matrix tablets containing carbomer and hydroxy-propylmethylcellulose.

    PubMed

    Petrovic, Aleksandra; Cvetkovic, Nebojsa; Ibric, Svetlana; Trajkovic, Svetlana; Djuric, Zorica; Popadic, Dragica; Popovic, Radmila

    2009-12-01

    Using mixture experimental design, the effect of carbomer (Carbopol((R)) 971P NF) and hydroxypropylmethylcellulose (Methocel((R)) K100M or Methocel((R)) K4M) combination on the release profile and on the mechanism of drug liberation from matrix tablet was investigated. The numerical optimization procedure was also applied to establish and obtain formulation with desired drug release. The amount of TP released, release rate and mechanism varied with carbomer ratio in total matrix and HPMC viscosity. Increasing carbomer fractions led to a decrease in drug release. Anomalous diffusion was found in all matrices containing carbomer, while Case - II transport was predominant for tablet based on HPMC only. The predicted and obtained profiles for optimized formulations showed similarity. Those results indicate that Simplex Lattice Mixture experimental design and numerical optimization procedure can be applied during development to obtain sustained release matrix formulation with desired release profile.

  11. Explosives mimic for testing, training, and monitoring

    DOEpatents

    Reynolds, John G.; Durban, Matthew M.; Gash, Alexander E.; Grapes, Michael D.; Kelley, Ryan S.; Sullivan, Kyle T.

    2018-02-13

    Additive Manufacturing (AM) is used to make mimics for explosives. The process uses mixtures of explosives and matrices commonly used in AM. The explosives are formulated into a mixture with the matrix and printed using AM techniques and equipment. The explosive concentrations are kept less than 10% by wt. of the mixture to conform to requirements of shipping and handling.

  12. An in-vitro-in-vivo taste assessment of bitter drug: comparative electronic tongues study.

    PubMed

    Maniruzzaman, Mohammed; Douroumis, Dennis

    2015-01-01

    The efficiency of the Astree e-tongue and Taste Sensing system TS5000Z for the evaluation of the taste masking effect of hot melt extruded formulations was investigated in this study. Hot melt extrusion (HME) processing was optimized using Randcastle single screw extruder (USA) to manufacture extrudates with desirable characteristics. Cationic model drug propranolol HCl (PRP) was processed with the anionic polymers - Eudragit L100 (L100) and Eudragit L100-55 (Acryl-EZE). Solid state of the drug in polymer matrices was evaluated by scanning electron microscopy (SEM), differential scanning calorimetry, particle size analysis, Fourier transform infrared (FTIR) and Nuclear magnetic resonance (NMR) analysis. In-vitro taste masking efficiency of the two polymers was performed by using two different e-tongues (Astree e-tongue and TS5000Z). The results obtained from both e-tongues were further compared and contrast to find out the sensor outputs in all formulations. Solid state analysis of the extruded formulations revealed the presence of amorphous PRP. Both e-tongues were able to detect the taste masking variations of the extrudates and were in good agreement with the in-vivo results obtained from a panel of six healthy human volunteers (R(2)  > 0.84). However, each e-tongue sensor demonstrated different sensitivity, suggesting a careful consideration of the experimental findings during melt extrusion, is necessary for the development of taste-masked formulations. Furthermore, FTIR spectroscopy and NMR studies revealed possible drug polymer intermolecular interactions as the mechanism of successful taste masking. HME can effectively be used to manufacture taste-masked extruded formulations, while both e-tongues demonstrated satisfactory taste analysis for the development of taste-masked formulations. © 2014 Royal Pharmaceutical Society.

  13. Evaluation of an Approximate Method for Synthesizing Covariance Matrices for Use in Meta-Analytic SEM

    ERIC Educational Resources Information Center

    Beretvas, S. Natasha; Furlow, Carolyn F.

    2006-01-01

    Meta-analytic structural equation modeling (MA-SEM) is increasingly being used to assess model-fit for variables' interrelations synthesized across studies. MA-SEM researchers have analyzed synthesized correlation matrices using structural equation modeling (SEM) estimation that is designed for covariance matrices. This can produce incorrect…

  14. Analysis and imaging of biocidal agrochemicals using ToF-SIMS.

    PubMed

    Converso, Valerio; Fearn, Sarah; Ware, Ecaterina; McPhail, David S; Flemming, Anthony J; Bundy, Jacob G

    2017-09-06

    ToF-SIMS has been increasingly widely used in recent years to look at biological matrices, in particular for biomedical research, although there is still a lot of development needed to maximise the value of this technique in the life sciences. The main issue for biological matrices is the complexity of the mass spectra and therefore the difficulty to specifically and precisely detect analytes in the biological sample. Here we evaluated the use of ToF-SIMS in the agrochemical field, which remains a largely unexplored area for this technique. We profiled a large number of biocidal active ingredients (herbicides, fungicides, and insecticides); we then selected fludioxonil, a halogenated fungicide, as a model compound for more detailed study, including the effect of co-occurring biomolecules on detection limits. There was a wide range of sensitivity of the ToF-SIMS for the different active ingredient compounds, but fludioxonil was readily detected in real-world samples (wheat seeds coated with a commercial formulation). Fludioxonil did not penetrate the seed to any great depth, but was largely restricted to a layer coating the seed surface. ToF-SIMS has clear potential as a tool for not only detecting biocides in biological samples, but also mapping their distribution.

  15. Evidence against a bacterial endotoxin masking effect in biologic drug products by limulus amebocyte lysate detection.

    PubMed

    Bolden, Jay S; Claerbout, Mark E; Miner, Matthew K; Murphy, Marie A; Smith, Kelly R; Warburton, Rob E

    2014-01-01

    The inability to detect endotoxin using compendia methods is a potential safety concern for patients due to the lack of endotoxin removal capabilities at the fill-finish stage in typical aseptic biologic drug product manufacturing. We have successfully demonstrated endotoxin challenge study recovery methodology using mammalian cell-produced biologic drug products and drug substances in citrate, histidine, phosphate, and sodium acetate buffer formulations containing polysorbate, challenged with an endotoxin analyte, for up to 6 months of storage. Successful recovery was similarly demonstrated for a preserved, peptide-containing drug product formulation. To isolate a potential masking-or low-endotoxin recovery-source, additional studies were performed to evaluate factors including product manufacturing contact surfaces, drug product matrix with and without polysorbate, individual matrix components, protein concentration, reagent suppliers, an orthogonal test method, and storage conditions. In all cases, acceptable recoveries were observed. Bacterial endotoxin is known to be chemically stable at physiological conditions. Purified endotoxin in aqueous conditions is likely to self-aggregate or bind to surfaces. Neither the nature of, nor the storage conditions of, the studied formulation matrices were shown experimentally to render the challenge endotoxin biologically inactive. The results highlight the importance of appropriate study design in assessing the recovery of endotoxins. Bacterial endotoxin is a Gram-negative bacterial cell wall component that is harmful to humans at threshold concentrations, and it is not expected to be in aseptically-produced pharmaceutical medicines. It has been suggested that endotoxin cannot be detected over time in certain biopharmaceutical drug product formulations containing citrate, phosphate, and polysorbate components via an unknown masking mechanism. We have generated and present data here that indicate that endotoxin can be recovered in a variety of matrices, and under various experimental conditions. © PDA, Inc. 2014.

  16. Fast estimation of space-robots inertia parameters: A modular mathematical formulation

    NASA Astrophysics Data System (ADS)

    Nabavi Chashmi, Seyed Yaser; Malaek, Seyed Mohammad-Bagher

    2016-10-01

    This work aims to propose a new technique that considerably helps enhance time and precision needed to identify ;Inertia Parameters (IPs); of a typical Autonomous Space-Robot (ASR). Operations might include, capturing an unknown Target Space-Object (TSO), ;active space-debris removal; or ;automated in-orbit assemblies;. In these operations generating precise successive commands are essential to the success of the mission. We show how a generalized, repeatable estimation-process could play an effective role to manage the operation. With the help of the well-known Force-Based approach, a new ;modular formulation; has been developed to simultaneously identify IPs of an ASR while it captures a TSO. The idea is to reorganize the equations with associated IPs with a ;Modular Set; of matrices instead of a single matrix representing the overall system dynamics. The devised Modular Matrix Set will then facilitate the estimation process. It provides a conjugate linear model in mass and inertia terms. The new formulation is, therefore, well-suited for ;simultaneous estimation processes; using recursive algorithms like RLS. Further enhancements would be needed for cases the effect of center of mass location becomes important. Extensive case studies reveal that estimation time is drastically reduced which in-turn paves the way to acquire better results.

  17. Influence of poloxamers on the dissolution performance and stability of controlled-release formulations containing Precirol ATO 5.

    PubMed

    Jannin, V; Pochard, E; Chambin, O

    2006-02-17

    Lipid excipients are usually used for the development of sustained-release formulations. When used in relatively high quantities, Precirol ATO 5 imparts sustained-release properties to solid oral dosage forms, by forming a lipid matrix. To control or adjust the drug release kinetics from such lipid matrix however, one must often resort to complementary ingredients or techniques. This study investigates the influence of poloxamers (Lutrol) included in lipid matrices composed of glyceryl palmitostearate (Precirol ATO 5) on their dissolution performance and their stability. The addition of these hydrophilic polymers in the lipid matrix increased the amount of theophylline released thanks to the swelling of the hydrophilic polymer and the creation of a porous network into the inert lipid matrix. The grade and the quantity of Lutrol could modulate the extent of drug release. Theophylline was released mainly by the matrix erosion but also by diffusion through the pores as suggested by the Peppas' model. Moreover, the addition of Lutrol enhanced the stability during storage. The theophylline release was quite steady after 6 months in different conditions (temperature and humidity). Thus, the mixture of glyceryl palmitostearate and poloxamers is an approach with many advantages for the development of controlled-release formulations by capsule molding.

  18. Characterization of solid polymer dispersions of active pharmaceutical ingredients by 19F MAS NMR and factor analysis

    NASA Astrophysics Data System (ADS)

    Urbanova, Martina; Brus, Jiri; Sedenkova, Ivana; Policianova, Olivia; Kobera, Libor

    In this contribution the ability of 19F MAS NMR spectroscopy to probe structural variability of poorly water-soluble drugs formulated as solid dispersions in polymer matrices is discussed. The application potentiality of the proposed approach is demonstrated on a moderately sized active pharmaceutical ingredient (API, Atorvastatin) exhibiting extensive polymorphism. In this respect, a range of model systems with the API incorporated in the matrix of polvinylpyrrolidone (PVP) was prepared. The extent of mixing of both components was determined by T1(1H) and T1ρ(1H) relaxation experiments, and it was found that the API forms nanosized domains. Subsequently it was found out that the polymer matrix induces two kinds of changes in 19F MAS NMR spectra. At first, this is a high-frequency shift reaching 2-3 ppm which is independent on molecular structure of the API and which results from the long-range polarization of the electron cloud around 19F nucleus induced by electrostatic fields of the polymer matrix. At second, this is broadening of the signals and formation of shoulders reflecting changes in molecular arrangement of the API. To avoid misleading in the interpretation of the recorded 19F MAS NMR spectra, because both the contributions act simultaneously, we applied chemometric approach based on multivariate analysis. It is demonstrated that factor analysis of the recorded spectra can separate both these spectral contributions, and the subtle structural differences in the molecular arrangement of the API in the nanosized domains can be traced. In this way 19F MAS NMR spectra of both pure APIs and APIs in solid dispersions can be directly compared. The proposed strategy thus provides a powerful tool for the analysis of new formulations of fluorinated pharmaceutical substances in polymer matrices.

  19. Estimation for the Linear Model With Uncertain Covariance Matrices

    NASA Astrophysics Data System (ADS)

    Zachariah, Dave; Shariati, Nafiseh; Bengtsson, Mats; Jansson, Magnus; Chatterjee, Saikat

    2014-03-01

    We derive a maximum a posteriori estimator for the linear observation model, where the signal and noise covariance matrices are both uncertain. The uncertainties are treated probabilistically by modeling the covariance matrices with prior inverse-Wishart distributions. The nonconvex problem of jointly estimating the signal of interest and the covariance matrices is tackled by a computationally efficient fixed-point iteration as well as an approximate variational Bayes solution. The statistical performance of estimators is compared numerically to state-of-the-art estimators from the literature and shown to perform favorably.

  20. Guaranteed cost control with poles assignment for a flexible air-breathing hypersonic vehicle

    NASA Astrophysics Data System (ADS)

    Li, Hongyi; Si, Yulin; Wu, Ligang; Hu, Xiaoxiang; Gao, Huijun

    2011-05-01

    This article investigates the problem of guaranteed cost control for a flexible air-breathing hypersonic vehicle (FAHV). The FAHV includes intricate coupling between the engine and flight dynamics as well as complex interplay between flexible and rigid modes, which results in an intractable system for the control design. A longitudinal model is adopted for control design due to the complexity of the vehicle. First, for a highly nonlinear and coupled FAHV, a linearised model is established around the trim condition, which includes the state of altitude, velocity, angle of attack, pitch angle and pitch rate, etc. Secondly, by using the Lyapunov approach, performance analysis is carried out for the resulting closed-loop FAHV system, whose criterion with respect to guaranteed performance cost and poles assignment is expressed in the framework of linear matrix inequalities (LMIs). The established criterion exhibits a kind of decoupling between the Lyapunov positive-definite matrices to be determined and the FAHV system matrices, which is enabled by the introduction of additional slack matrix variables. Thirdly, a convex optimisation problem with LMI constraints is formulated for designing an admissible controller, which guarantees a prescribed performance cost with the simultaneous consideration of poles assignment for the resulting closed-loop system. Finally, some simulation results are provided to show that the guaranteed cost controller could assign the poles into the desired regional and achieve excellent reference altitude and velocity tracking performance.

  1. Dynamics of a Dirac oscillator coupled to an external field: a new class of solvable problems

    NASA Astrophysics Data System (ADS)

    Sadurní, E.; Torres, J. M.; Seligman, T. H.

    2010-07-01

    The Dirac oscillator coupled to an external two-component field can retain its solvability, if couplings are appropriately chosen. This provides a new class of integrable systems. A simplified way of a solution is given by recasting the known solution of the Dirac oscillator into matrix form; there one notes that a block-diagonal form arises in a Hamiltonian formulation. The blocks are two dimensional. Choosing couplings that do not affect the block structure, these blow up the 2 × 2 matrices to 4 × 4 matrices, thus conserving solvability. The result can be cast again in covariant form. By way of an example we apply this exact solution to calculate the evolution of entanglement.

  2. Epoxy Matrices Modified by Green Additives for Recyclable Materials.

    PubMed

    Henriksen, Martin L; Ravnsbaek, Jens B; Bjerring, Morten; Vosegaard, Thomas; Daasbjerg, Kim; Hinge, Mogens

    2017-07-21

    Epoxy-based thermosets are one of the most popular matrix materials in many industries, and significant environmental benefits can be obtained by developing a recyclable variant of this widely utilized material. Incorporation of a bio-based disulfide additive within a commercial epoxy system leads to a cross-linked material that can be fractionated under mild and environmentally benign conditions. The material has been analyzed by FTIR and solid-state NMR. Furthermore, modified epoxy matrices with low additive concentrations are demonstrated to have similar mechanical and thermal properties compared to commercially available benchmarks. Thus, additive formulation and fractionation based on green chemistry principles have been demonstrated, and a recyclable epoxy matrix has been developed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Unusual square roots in the ghost-free theory of massive gravity

    NASA Astrophysics Data System (ADS)

    Golovnev, Alexey; Smirnov, Fedor

    2017-06-01

    A crucial building block of the ghost free massive gravity is the square root function of a matrix. This is a problematic entity from the viewpoint of existence and uniqueness properties. We accurately describe the freedom of choosing a square root of a (non-degenerate) matrix. It has discrete and (in special cases) continuous parts. When continuous freedom is present, the usual perturbation theory in terms of matrices can be critically ill defined for some choices of the square root. We consider the new formulation of massive and bimetric gravity which deals directly with eigenvalues (in disguise of elementary symmetric polynomials) instead of matrices. It allows for a meaningful discussion of perturbation theory in such cases, even though certain non-analytic features arise.

  4. Correlations of RMT characteristic polynomials and integrability: Hermitean matrices

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

    Osipov, Vladimir Al., E-mail: Vladimir.Osipov@uni-due.d; Kanzieper, Eugene, E-mail: Eugene.Kanzieper@hit.ac.i; Department of Physics of Complex Systems, Weizmann Institute of Science, Rehovot 76100

    Integrable theory is formulated for correlation functions of characteristic polynomials associated with invariant non-Gaussian ensembles of Hermitean random matrices. By embedding the correlation functions of interest into a more general theory of {tau} functions, we (i) identify a zoo of hierarchical relations satisfied by {tau} functions in an abstract infinite-dimensional space and (ii) present a technology to translate these relations into hierarchically structured nonlinear differential equations describing the correlation functions of characteristic polynomials in the physical, spectral space. Implications of this formalism for fermionic, bosonic, and supersymmetric variations of zero-dimensional replica field theories are discussed at length. A particular emphasismore » is placed on the phenomenon of fermionic-bosonic factorisation of random-matrix-theory correlation functions.« less

  5. 3-D minimum-structure inversion of magnetotelluric data using the finite-element method and tetrahedral grids

    NASA Astrophysics Data System (ADS)

    Jahandari, H.; Farquharson, C. G.

    2017-11-01

    Unstructured grids enable representing arbitrary structures more accurately and with fewer cells compared to regular structured grids. These grids also allow more efficient refinements compared to rectilinear meshes. In this study, tetrahedral grids are used for the inversion of magnetotelluric (MT) data, which allows for the direct inclusion of topography in the model, for constraining an inversion using a wireframe-based geological model and for local refinement at the observation stations. A minimum-structure method with an iterative model-space Gauss-Newton algorithm for optimization is used. An iterative solver is employed for solving the normal system of equations at each Gauss-Newton step and the sensitivity matrix-vector products that are required by this solver are calculated using pseudo-forward problems. This method alleviates the need to explicitly form the Hessian or Jacobian matrices which significantly reduces the required computation memory. Forward problems are formulated using an edge-based finite-element approach and a sparse direct solver is used for the solutions. This solver allows saving and re-using the factorization of matrices for similar pseudo-forward problems within a Gauss-Newton iteration which greatly minimizes the computation time. Two examples are presented to show the capability of the algorithm: the first example uses a benchmark model while the second example represents a realistic geological setting with topography and a sulphide deposit. The data that are inverted are the full-tensor impedance and the magnetic transfer function vector. The inversions sufficiently recovered the models and reproduced the data, which shows the effectiveness of unstructured grids for complex and realistic MT inversion scenarios. The first example is also used to demonstrate the computational efficiency of the presented model-space method by comparison with its data-space counterpart.

  6. Optimization of Melatonin Dissolution from Extended Release Matrices Using Artificial Neural Networking.

    PubMed

    Martarelli, D; Casettari, L; Shalaby, K S; Soliman, M E; Cespi, M; Bonacucina, G; Fagioli, L; Perinelli, D R; Lam, J K W; Palmieri, G F

    2016-01-01

    Efficacy of melatonin in treating sleep disorders has been demonstrated in numerous studies. Being with short half-life, melatonin needs to be formulated in extended-release tablets to prevent the fast drop of its plasma concentration. However, an attempt to mimic melatonin natural plasma levels during night time is challenging. In this work, Artificial Neural Networks (ANNs) were used to optimize melatonin release from hydrophilic polymer matrices. Twenty-seven different tablet formulations with different amounts of hydroxypropyl methylcellulose, xanthan gum and Carbopol®974P NF were prepared and subjected to drug release studies. Using dissolution test data as inputs for ANN designed by Visual Basic programming language, the ideal number of neurons in the hidden layer was determined trial and error methodology to guarantee the best performance of constructed ANN. Results showed that the ANN with nine neurons in the hidden layer had the best results. ANN was examined to check its predictability and then used to determine the best formula that can mimic the release of melatonin from a marketed brand using similarity fit factor. This work shows the possibility of using ANN to optimize the composition of prolonged-release melatonin tablets having dissolution profile desired.

  7. Supervisory control of mobile sensor networks: math formulation, simulation, and implementation.

    PubMed

    Giordano, Vincenzo; Ballal, Prasanna; Lewis, Frank; Turchiano, Biagio; Zhang, Jing Bing

    2006-08-01

    This paper uses a novel discrete-event controller (DEC) for the coordination of cooperating heterogeneous wireless sensor networks (WSNs) containing both unattended ground sensors (UGSs) and mobile sensor robots. The DEC sequences the most suitable tasks for each agent and assigns sensor resources according to the current perception of the environment. A matrix formulation makes this DEC particularly useful for WSN, where missions change and sensor agents may be added or may fail. WSN have peculiarities that complicate their supervisory control. Therefore, this paper introduces several new tools for DEC design and operation, including methods for generating the required supervisory matrices based on mission planning, methods for modifying the matrices in the event of failed nodes, or nodes entering the network, and a novel dynamic priority assignment weighting approach for selecting the most appropriate and useful sensors for a given mission task. The resulting DEC represents a complete dynamical description of the WSN system, which allows a fast programming of deployable WSN, a computer simulation analysis, and an efficient implementation. The DEC is actually implemented on an experimental wireless-sensor-network prototyping system. Both simulation and experimental results are presented to show the effectiveness and versatility of the developed control architecture.

  8. Influence of surfactants on the release behaviour and structural properties of sol-gel derived silica xerogels embedded with metronidazole.

    PubMed

    Czarnobaj, Katarzyna; Sawicki, Wiesław

    2013-01-01

    The aim of this study was to obtain stable and controlled release silica xerogels containing metronidazole (MT) prepared with surfactants with different charges: cetyltrimethylammonium bromide (CTAB), sodium dodecyl sulphate (SDS) and hydroxypropyl cellulose (HPC), which could be the promising carrier materials used as the implantable drug delivery systems. The xerogels were prepared by the sol-gel method. The influence of various formulation precursors on porosity parameters and drug release were investigated. Addition of surfactants showed a promising result in controlling the MT release. Dissolution study revealed increased release of MT from silica modified SDS and CTAB, whereas the release of MT from silica modified HPC considerably decreased, in comparison with unmodified silica. The addition of surfactants showed slight changes in porosity parameters. All xerogels are characterized by a highly developed surface area (701-642 m(2) g(-1)) and mesoporous structure. The correlation between pore size obtained matrices and release rate of drug was also observed. Based on the presented results of this study, it may be stated that applied xerogel matrices: pure silica and surfactants-modified silica could be promising candidates for the formulation in local delivery systems.

  9. Algebraic reasoning for the enhancement of data-driven building reconstructions

    NASA Astrophysics Data System (ADS)

    Meidow, Jochen; Hammer, Horst

    2016-04-01

    Data-driven approaches for the reconstruction of buildings feature the flexibility needed to capture objects of arbitrary shape. To recognize man-made structures, geometric relations such as orthogonality or parallelism have to be detected. These constraints are typically formulated as sets of multivariate polynomials. For the enforcement of the constraints within an adjustment process, a set of independent and consistent geometric constraints has to be determined. Gröbner bases are an ideal tool to identify such sets exactly. A complete workflow for geometric reasoning is presented to obtain boundary representations of solids based on given point clouds. The constraints are formulated in homogeneous coordinates, which results in simple polynomials suitable for the successful derivation of Gröbner bases for algebraic reasoning. Strategies for the reduction of the algebraical complexity are presented. To enforce the constraints, an adjustment model is introduced, which is able to cope with homogeneous coordinates along with their singular covariance matrices. The feasibility and the potential of the approach are demonstrated by the analysis of a real data set.

  10. Least-squares sequential parameter and state estimation for large space structures

    NASA Technical Reports Server (NTRS)

    Thau, F. E.; Eliazov, T.; Montgomery, R. C.

    1982-01-01

    This paper presents the formulation of simultaneous state and parameter estimation problems for flexible structures in terms of least-squares minimization problems. The approach combines an on-line order determination algorithm, with least-squares algorithms for finding estimates of modal approximation functions, modal amplitudes, and modal parameters. The approach combines previous results on separable nonlinear least squares estimation with a regression analysis formulation of the state estimation problem. The technique makes use of sequential Householder transformations. This allows for sequential accumulation of matrices required during the identification process. The technique is used to identify the modal prameters of a flexible beam.

  11. Use of an in vitro human skin permeation assay to assess bioequivalence of two topical cream formulations containing butenafine hydrochloride (1%, w/w).

    PubMed

    Mitra, Amitava; Kim, Nanhye; Spark, Darren; Toner, Frank; Craig, Susan; Roper, Clive; Meyer, Thomas A

    2016-12-01

    The primary objective of this work was to investigate, using an in vitro human skin permeation study, whether changes in the excipients of butenafine hydrochloride cream would have any effect on bioperformance of the formulation. Such in vitro data would be a surrogate for any requirement of a bioequivalence (BE) study to demonstrate formulation similarity. A LC-MS/MS method for quantitation of butenafine in various matrices was developed and validated. A pilot study was performed to validate the in vitro skin permeation methodology using three cream formulations containing butenafine hydrochloride at concentrations of 0.5, 1.0 and 1.5% (w/w). Finally, a definitive in vitro human skin permeation study was conducted, comparing the extent of butenafine hydrochloride permeation from the new formulation to that from the current formulation. The results of the study comparing the two formulations showed that there was no statistically significant difference in the extent of butenafine permeation into human skin. In conclusion, these in vitro data demonstrated that the formulation change is likely to have no significant impact on the bioperformance of 1% (w/w) butenafine hydrochloride cream. Copyright © 2016 Elsevier Inc. All rights reserved.

  12. A Study on the Application of the Extended Matrices Based on TRIZ in Constructing a Collaborative Model of Enterprise Network

    NASA Astrophysics Data System (ADS)

    Yang, Yan; Shao, Yunfei; Tang, Xiaowo

    Based on mass related literature on enterprise network, the key influence factors are reduced to Trust, Control, Relationship and Interaction. Meanwhile, the specific contradiction matrices, judgment matrices and strategy collections based on TRIZ are constructed which make the connotation of contradiction matrices in TRIZ extended. Finally they are applied to the construction of the collaborative model on enterprise network based on Multi Agent System (MAS).

  13. An investigation into the use of polymer blends to improve the printability of and regulate drug release from pharmaceutical solid dispersions prepared via fused deposition modeling (FDM) 3D printing.

    PubMed

    Alhijjaj, Muqdad; Belton, Peter; Qi, Sheng

    2016-11-01

    FDM 3D printing has been recently attracted increasing research efforts towards the production of personalized solid oral formulations. However, commercially available FDM printers are extremely limited with regards to the materials that can be processed to few types of thermoplastic polymers, which often may not be pharmaceutically approved materials nor ideal for optimizing dosage form performance of poor soluble compounds. This study explored the use of polymer blends as a formulation strategy to overcome this processability issue and to provide adjustable drug release rates from the printed dispersions. Solid dispersions of felodipine, the model drug, were successfully fabricated using FDM 3D printing with polymer blends of PEG, PEO and Tween 80 with either Eudragit E PO or Soluplus. As PVA is one of most widely used polymers in FDM 3D printing, a PVA based solid dispersion was used as a benchmark to compare the polymer blend systems to in terms of processability. The polymer blends exhibited excellent printability and were suitable for processing using a commercially available FDM 3D printer. With 10% drug loading, all characterization data indicated that the model drug was molecularly dispersed in the matrices. During in vitro dissolution testing, it was clear that the disintegration behavior of the formulations significantly influenced the rates of drug release. Eudragit EPO based blend dispersions showed bulk disintegration; whereas the Soluplus based blends showed the 'peeling' style disintegration of strip-by-strip. The results indicated that interplay of the miscibility between excipients in the blends, the solubility of the materials in the dissolution media and the degree of fusion between the printed strips during FDM process can be used to manipulate the drug release rate of the dispersions. This brings new insight into the design principles of controlled release formulations using FDM 3D printing. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Coupled microstrip line transverse electromagnetic resonator model for high-field magnetic resonance imaging.

    PubMed

    Bogdanov, G; Ludwig, R

    2002-03-01

    The performance modeling of RF resonators at high magnetic fields of 4.7 T and more requires a physical approach that goes beyond conventional lumped circuit concepts. The treatment of voltages and currents as variables in time and space leads to a coupled transmission line model, whereby the electric and magnetic fields are assumed static in planes orthogonal to the length of the resonator, but wave-like along its longitudinal axis. In this work a multiconductor transmission line (MTL) model is developed and successfully applied to analyze a 12-element unloaded and loaded microstrip line transverse electromagnetic (TEM) resonator coil for animal studies. The loading involves a homogeneous cylindrical dielectric insert of variable radius and length. This model formulation is capable of estimating the resonance spectrum, field distributions, and certain types of losses in the coil, while requiring only modest computational resources. The boundary element method is adopted to compute all relevant transmission line parameters needed to set up the transmission line matrices. Both the theoretical basis and its engineering implementation are discussed and the resulting model predictions are placed in context with measurements. A comparison between a conventional lumped circuit model and this distributed formulation is conducted, showing significant departures in the resonance response at higher frequencies. This MTL model is applied to simulate two small-bore animal systems: one of 7.5-cm inner diameter, tuned to 200 MHz (4.7 T for proton imaging), and one of 13.36-cm inner diameter, tuned to both 200 and 300 MHz (7 T). Copyright 2002 Wiley-Liss, Inc.

  15. Stable Binding of Alternative Protein-enriched Food Matrices with Concentrated Cranberry Bioflavonoids for Functional Food Applications

    PubMed Central

    Grace, Mary H.; Guzman, Ivette; Roopchand, Diana E.; Moskal, Kristin; Cheng, Diana M.; Pogrebnyak, Natasha; Raskin, Ilya; Howell, Amy; Lila, Mary Ann

    2013-01-01

    Defatted soy flour (DSF), soy protein isolate (SPI), hemp protein isolate (HPI), medium roast peanut flour (MPF) and pea protein isolate (PPI) stably bind and concentrate cranberry (CB) polyphenols, creating protein/polyphenol-enriched matrices. Proanthocyanidins (PAC) in the enriched matrices ranged from 20.75 mg/g (CB-HPI) to 10.68 mg/g (CB-SPI). Anthocyanins (ANC) ranged from 3.19 mg/g (CB-DSF) to 1.68 mg/g (CB-SPI), while total phenolics (TP) ranged from 37.61 mg/g (CB-HPI) to 21.29 mg/g (CB-SPI). LC-MS indicated that the enriched matrices contained all identifiable ANC, PAC and flavonols present in CB juice. Complexation with SPI stabilized and preserved the integrity of the CB polyphenolic components for at least 15 weeks at 37 °C. PAC isolated from enriched matrices demonstrated comparable anti-adhesion bioactivity to PAC isolated directly from CB juice (MIC 0.4 to 0.16 mg/mL), indicating their potential utility for maintenance of urinary tract health. Approximately 1.0 g of polyphenol-enriched matrix delivered the same amount of PAC available in one cup (300 mL) of commercial CB juice cocktail; which has been shown clinically to be the prophylactic dose for reducing recurring urinary tract infections. CB-SPI inhibited gram- positive and gram-negative bacterial growth. Nutritional and sensory analyses indicated that the targeted CB-matrix combinations have high potential for incorporation in functional food formulations. PMID:23786629

  16. Physics-based elastic image registration using splines and including landmark localization uncertainties.

    PubMed

    Wörz, Stefan; Rohr, Karl

    2006-01-01

    We introduce an elastic registration approach which is based on a physical deformation model and uses Gaussian elastic body splines (GEBS). We formulate an extended energy functional related to the Navier equation under Gaussian forces which also includes landmark localization uncertainties. These uncertainties are characterized by weight matrices representing anisotropic errors. Since the approach is based on a physical deformation model, cross-effects in elastic deformations can be taken into account. Moreover, we have a free parameter to control the locality of the transformation for improved registration of local geometric image differences. We demonstrate the applicability of our scheme based on 3D CT images from the Truth Cube experiment, 2D MR images of the brain, as well as 2D gel electrophoresis images. It turns out that the new scheme achieves more accurate results compared to previous approaches.

  17. Hydrophobic polymers for orodispersible films: a quality by design approach.

    PubMed

    Borges, Ana Filipa; Silva, Branca M A; Silva, Cláudia; Coelho, Jorge F J; Simões, Sérgio

    2016-10-01

    To develop orodispersible films (ODF) based on hydrophobic polymers with higher stability to ordinary environmental humidity conditions without compromising their fast disintegration time. A quality by design approach was applied to screen three different formulations each one based on a different hydrophobic polymer: polyvinyl acetate, methacrylate-based copolymer and shellac. The screening formulations were characterized regarding their mechanical properties, residual water content, disintegration time and appearance, in order to find a suitable ODF formulation according to established critical quality attributes. The selected critical process parameters for the selection of appropriate ODF formulations were the percentage of the different excipients and the plasticizer type. Three hydrophobic-based matrices with fast disintegration were developed. These were generically composed by a hydrophobic polymer, a stabilizer, a disintegrant and a plasticizer. It verified that the common components within the three different formulations behave differently depending on the system/chemical environment that they were included. It was shown that it is possible to develop oral films based on hydrophobic polymers with fast disintegration time, good texture and appearance, breaking a paradigm of the ODF research field.

  18. Attitude and Configuration Control of Flexible Multi-Body Spacecraft

    NASA Astrophysics Data System (ADS)

    Cho, Sung-Ki; Cochran, John E., Jr.

    2002-06-01

    Multi-body spacecraft attitude and configuration control formulations based on the use of collaborative control theory are considered. The control formulations are based on two-player, nonzero-sum, differential game theory applied using a Nash strategy. It is desired that the control laws allow different components of the multi-body system to perform different tasks. For example, it may be desired that one body points toward a fixed star while another body in the system slews to track another satellite. Although similar to the linear quadratic regulator formulation, the collaborative control formulation contains a number of additional design parameters because the problem is formulated as two control problems coupled together. The use of the freedom of the partitioning of the total problem into two coupled control problems and the selection of the elements of the cross-coupling matrices are specific problems addressed in this paper. Examples are used to show that significant improvement in performance, as measured by realistic criteria, of collaborative control over conventional linear quadratic regulator control can be achieved by using proposed design guidelines.

  19. Development of controlled release formulations of azadirachtin-A employing poly(ethylene glycol) based amphiphilic copolymers.

    PubMed

    Kumar, Jitendra; Shakil, Najam A; Singh, Manish K; Singh, Mukesh K; Pandey, Alka; Pandey, Ravi P

    2010-05-01

    Controlled release (CR) formulations of azadirachtin-A, a bioactive constituent derived from the seed of Azadirachta indica A. Juss (Meliaceae), have been prepared using commercially available polyvinyl chloride, polyethylene glycol (PEG) and laboratory synthesized poly ethylene glycol-based amphiphilic copolymers. Copolymers of polyethylene glycol and various dimethyl esters, which self assemble into nano micellar aggregates in aqueous media, have been synthesized. The kinetics of azadirachtin-A, release in water from the different formulations was studied. Release from the commercial polyethylene glycol (PEG) formulation was faster than the other CR formulations. The rate of release of encapsulated azadirachtin-A from nano micellar aggregates is reduced by increasing the molecular weight of PEG. The diffusion exponent (n value) of azadirachtin-A, in water ranged from 0.47 to 1.18 in the tested formulations. The release was diffusion controlled with a half release time (t(1/2)) of 3.05 to 42.80 days in water from different matrices. The results suggest that depending upon the polymer matrix used, the application rate of azadirachtin-A can be optimized to achieve insect control at the desired level and period.

  20. Finite Element Analysis in Concurrent Processing: Computational Issues

    NASA Technical Reports Server (NTRS)

    Sobieszczanski-Sobieski, Jaroslaw; Watson, Brian; Vanderplaats, Garrett

    2004-01-01

    The purpose of this research is to investigate the potential application of new methods for solving large-scale static structural problems on concurrent computers. It is well known that traditional single-processor computational speed will be limited by inherent physical limits. The only path to achieve higher computational speeds lies through concurrent processing. Traditional factorization solution methods for sparse matrices are ill suited for concurrent processing because the null entries get filled, leading to high communication and memory requirements. The research reported herein investigates alternatives to factorization that promise a greater potential to achieve high concurrent computing efficiency. Two methods, and their variants, based on direct energy minimization are studied: a) minimization of the strain energy using the displacement method formulation; b) constrained minimization of the complementary strain energy using the force method formulation. Initial results indicated that in the context of the direct energy minimization the displacement formulation experienced convergence and accuracy difficulties while the force formulation showed promising potential.

  1. Predicting the combinatorial effects of water activity, pH and organic acids on Listeria growth in media and complex food matrices.

    PubMed

    Nyhan, L; Begley, M; Mutel, A; Qu, Y; Johnson, N; Callanan, M

    2018-09-01

    The aim of this study was to develop a model to predict growth of Listeria in complex food matrices as a function of pH, water activity and undissociated acetic and propionic acid concentration i.e. common food hurdles. Experimental growth curves of Listeria in food products and broth media were collected from ComBase, the literature and industry sources from which a bespoke secondary gamma model was constructed. Model performance was evaluated by comparing predictions to measured growth rates in growth media (BHI broth) and two adjusted food matrices (zucchini purée and béarnaise sauce). In general, observed growth rates were higher in broth than in the food matrices which resulted in the model over-estimating growth in the adjusted food matrices. In addition, model outputs were more accurate for conditions without acids, indicating that the organic acid component of the model was a source of inaccuracy. In summary, a new predictive growth model for innovating or renovating food products that rely on multi-hurdle technology was created. This study is the first to report on modelling of propionic acid as an inhibitor of Listeria in combination with other hurdles. Our findings provide valuable insights into predictive model design and performance and highlight the importance of experimental validation of models in real food matrices rather than laboratory media alone. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Reductions in finite-dimensional integrable systems and special points of classical r-matrices

    NASA Astrophysics Data System (ADS)

    Skrypnyk, T.

    2016-12-01

    For a given 𝔤 ⊗ 𝔤-valued non-skew-symmetric non-dynamical classical r-matrices r(u, v) with spectral parameters, we construct the general form of 𝔤-valued Lax matrices of finite-dimensional integrable systems satisfying linear r-matrix algebra. We show that the reduction in the corresponding finite-dimensional integrable systems is connected with "the special points" of the classical r-matrices in which they become degenerated. We also propose a systematic way of the construction of additional integrals of the Lax-integrable systems associated with the symmetries of the corresponding r-matrices. We consider examples of the Lax matrices and integrable systems that are obtained in the framework of the general scheme. Among them there are such physically important systems as generalized Gaudin systems in an external magnetic field, ultimate integrable generalization of Toda-type chains (including "modified" or "deformed" Toda chains), generalized integrable Jaynes-Cummings-Dicke models, integrable boson models generalizing Bose-Hubbard dimer models, etc.

  3. Capreomycin oleate microparticles for intramuscular administration: Preparation, in vitro release and preliminary in vivo evaluation.

    PubMed

    Cambronero-Rojas, Adrián; Torres-Vergara, Pablo; Godoy, Ricardo; von Plessing, Carlos; Sepúlveda, Jacqueline; Gómez-Gaete, Carolina

    2015-07-10

    Capreomycin sulfate (CS) is a second-line drug used for the treatment of multidrug-resistant tuberculosis (MDR-TB). The adverse effects profile and uncomfortable administration scheme of CS has led to the development of formulations based on liposomes and polymeric microparticles. However, as CS is a water-soluble peptide that does not encapsulate properly into hydrophobic particulate matrices, it was necessary to reduce its aqueous solubility by forming the pharmacologically active capreomycin oleate (CO) ion pair. The aim of this research was to develop a new formulation of CO for intramuscular injection, based on biodegradable microparticles that encapsulate CO in order to provide a controlled release of the drug with reduced local and systemic adverse effects. The CO-loaded microparticles prepared by spray drying or solvent emulsion-evaporation were characterized in their morphology, encapsulation efficiency, in vitro/in vivo kinetics and tissue tolerance. Through scanning electron microscopy it was confirmed that the microparticles were monodisperse and spherical, with an optimal size for intramuscular administration. The interaction between CO and the components of the microparticle matrix was confirmed on both formulations by X-ray powder diffraction and differential scanning calorimetry analyses. The encapsulation efficiencies for the spray-dried and emulsion-evaporation microparticles were 92% and 56%, respectively. The in vitro kinetics performed on both formulations demonstrated a controlled and continuous release of CO from the microparticles, which was successfully reproduced on an in vivo rodent model. The results of the histological analysis demonstrated that none of the formulations produced significant tissue damage on the site of injection. Therefore, the results suggest that injectable CO microparticles obtained by spray drying and solvent emulsion-evaporation could represent an interesting therapeutic alternative for the treatment of MDR-TB. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Relationship of Non-Verbal Intelligence Materials as Catalyst for Academic Achievement and Peaceful Co-Existence among Secondary School Students in Nigeria

    ERIC Educational Resources Information Center

    Sambo, Aminu

    2015-01-01

    This paper examines students' performance in Non-verbal Intelligence tests relative academic achievement of some selected secondary school students. Two hypotheses were formulated with a view to generating data for the ease of analyses. Two non-verbal intelligent tests viz: Raven's Standard Progressive Matrices (SPM) and AH[subscript 4] Part II…

  5. Constant covariance in local vertical coordinates for near-circular orbits

    NASA Technical Reports Server (NTRS)

    Shepperd, Stanley W.

    1991-01-01

    A method is presented for devising a covariance matrix that either remains constant or grows in keeping with the presence of a period error in a rotating local-vertical coordinate system. The solution presented may prove useful in the initialization of simulation covariance matrices for near-circular-orbit problems. Use is made of the Clohessy-Wiltshire equations and the travelling-ellipse formulation.

  6. Graph theory approach to the eigenvalue problem of large space structures

    NASA Technical Reports Server (NTRS)

    Reddy, A. S. S. R.; Bainum, P. M.

    1981-01-01

    Graph theory is used to obtain numerical solutions to eigenvalue problems of large space structures (LSS) characterized by a state vector of large dimensions. The LSS are considered as large, flexible systems requiring both orientation and surface shape control. Graphic interpretation of the determinant of a matrix is employed to reduce a higher dimensional matrix into combinations of smaller dimensional sub-matrices. The reduction is implemented by means of a Boolean equivalent of the original matrices formulated to obtain smaller dimensional equivalents of the original numerical matrix. Computation time becomes less and more accurate solutions are possible. An example is provided in the form of a free-free square plate. Linearized system equations and numerical values of a stiffness matrix are presented, featuring a state vector with 16 components.

  7. Realizing three generations of the Standard Model fermions in the type IIB matrix model

    NASA Astrophysics Data System (ADS)

    Aoki, Hajime; Nishimura, Jun; Tsuchiya, Asato

    2014-05-01

    We discuss how the Standard Model particles appear from the type IIB matrix model, which is considered to be a nonperturbative formulation of superstring theory. In particular, we are concerned with a constructive definition of the theory, in which we start with finite- N matrices and take the large- N limit afterwards. In that case, it was pointed out recently that realizing chiral fermions in the model is more difficult than it had been thought from formal arguments at N = ∞ and that introduction of a matrix version of the warp factor is necessary. Based on this new insight, we show that two generations of the Standard Model fermions can be realized by considering a rather generic configuration of fuzzy S2 and fuzzy S2 × S2 in the extra dimensions. We also show that three generations can be obtained by squashing one of the S2's that appear in the configuration. Chiral fermions appear at the intersections of the fuzzy manifolds with nontrivial Yukawa couplings to the Higgs field, which can be calculated from the overlap of their wave functions.

  8. A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.

    PubMed

    Kussmann, Jörg; Ochsenfeld, Christian

    2007-11-28

    A density matrix-based time-dependent self-consistent field (D-TDSCF) method for the calculation of dynamic polarizabilities and first hyperpolarizabilities using the Hartree-Fock and Kohn-Sham density functional theory approaches is presented. The D-TDSCF method allows us to reduce the asymptotic scaling behavior of the computational effort from cubic to linear for systems with a nonvanishing band gap. The linear scaling is achieved by combining a density matrix-based reformulation of the TDSCF equations with linear-scaling schemes for the formation of Fock- or Kohn-Sham-type matrices. In our reformulation only potentially linear-scaling matrices enter the formulation and efficient sparse algebra routines can be employed. Furthermore, the corresponding formulas for the first hyperpolarizabilities are given in terms of zeroth- and first-order one-particle reduced density matrices according to Wigner's (2n+1) rule. The scaling behavior of our method is illustrated for first exemplary calculations with systems of up to 1011 atoms and 8899 basis functions.

  9. Study on the properties of chromium residue-cement matrices (CRCM) and the influences of superplasticizers on chromium(VI)-immobilising capability of cement matrices.

    PubMed

    Shi, Hui-Sheng; Kan, Li-Li

    2009-03-15

    The study of cementitious activity of chromium residue (CR) was carried out to formulate the properties of chromium residue-cement matrices (CRCM) by blending CR with Ordinary Portland Cement (OPC). The particle size distribution, microstructures of CR were investigated by some apparatuses, and physical properties, leaching behavior of hexavalent chromium [Cr(VI)] of CRCM were also determined by some experiments. Three types of commonly used superplasticizers (sulphonated acetone formaldehyde superplasticizer (J1), polycarboxylate-based superplasticizer (J2) and naphthalene superplasticizer (J3)) were chosen to investigate their influences on the physical properties and the Cr(VI)-immobilisation in the leachate of the CRCM hardened pastes. The results show that the CR has a certain cementitious activity. The incorporation of CR improves the pore size distribution of CRCM. The Cr(VI) concentrations in the leachate of CRCM significantly decrease by incorporation of J2. Among three superplasticizers, J2 achieves lowest Cr(VI) leaching ratio. Based on this study, it is likely to develop CR as a potential new additive used in cement-based materials.

  10. Stability of streamwise vortices

    NASA Technical Reports Server (NTRS)

    Khorrami, M. K.; Grosch, C. E.; Ash, R. L.

    1987-01-01

    A brief overview of some theoretical and computational studies of the stability of streamwise vortices is given. The local induction model and classical hydrodynamic vortex stability theories are discussed in some detail. The importance of the three-dimensionality of the mean velocity profile to the results of stability calculations is discussed briefly. The mean velocity profile is provided by employing the similarity solution of Donaldson and Sullivan. The global method of Bridges and Morris was chosen for the spatial stability calculations for the nonlinear eigenvalue problem. In order to test the numerical method, a second order accurate central difference scheme was used to obtain the coefficient matrices. It was shown that a second order finite difference method lacks the required accuracy for global eigenvalue calculations. Finally the problem was formulated using spectral methods and a truncated Chebyshev series.

  11. Investigation of free vibration characteristics for skew multiphase magneto-electro-elastic plate

    NASA Astrophysics Data System (ADS)

    Kiran, M. C.; Kattimani, S.

    2018-04-01

    This article presents the investigation of skew multiphase magneto-electro-elastic (MMEE) plate to assess its free vibration characteristics. A finite element (FE) model is formulated considering the different couplings involved via coupled constitutive equations. The transformation matrices are derived to transform local degrees of freedom into the global degrees of freedom for the nodes lying on the skew edges. Effect of different volume fraction (Vf) on the free vibration behavior is explicitly studied. In addition, influence of width to thickness ratio, the aspect ratio, and the stacking arrangement on natural frequencies of skew multiphase MEE plate investigated. Particular attention has been paid to investigate the effect of skew angle on the non-dimensional Eigen frequencies of multiphase MEE plate with simply supported edges.

  12. A robust direct-integration method for rotorcraft maneuver and periodic response

    NASA Technical Reports Server (NTRS)

    Panda, Brahmananda

    1992-01-01

    The Newmark-Beta method and the Newton-Raphson iteration scheme are combined to develop a direct-integration method for evaluating the maneuver and periodic-response expressions for rotorcraft. The method requires the generation of Jacobians and includes higher derivatives in the formulation of the geometric stiffness matrix to enhance the convergence of the system. The method leads to effective convergence with nonlinear structural dynamics and aerodynamic terms. Singularities in the matrices can be addressed with the method as they arise from a Lagrange multiplier approach for coupling equations with nonlinear constraints. The method is also shown to be general enough to handle singularities from quasisteady control-system models. The method is shown to be more general and robust than the similar 2GCHAS method for analyzing rotorcraft dynamics.

  13. Finite elements based on consistently assumed stresses and displacements

    NASA Technical Reports Server (NTRS)

    Pian, T. H. H.

    1985-01-01

    Finite element stiffness matrices are derived using an extended Hellinger-Reissner principle in which internal displacements are added to serve as Lagrange multipliers to introduce the equilibrium constraint in each element. In a consistent formulation the assumed stresses are initially unconstrained and complete polynomials and the total displacements are also complete such that the corresponding strains are complete in the same order as the stresses. Several examples indicate that resulting properties for elements constructed by this consistent formulation are ideal and are less sensitive to distortions of element geometries. The method has been used to find the optimal stress terms for plane elements, 3-D solids, axisymmetric solids, and plate bending elements.

  14. Lipid-formulated bcg as an oral-bait vaccine for tuberculosis: vaccine stability, efficacy, and palatability to brushtail possums (Trichosurus vulpecula) in New Zealand.

    PubMed

    Cross, Martin L; Henderson, Ray J; Lambeth, Matthew R; Buddle, Bryce M; Aldwell, Frank E

    2009-07-01

    Bovine tuberculosis (Tb), due to infection with virulent Mycobacterium bovis, represents a threat to New Zealand agriculture due to vectorial transmission from wildlife reservoir species, principally the introduced Australian brushtail possum (Trichosurus vulpecula). An oral-delivery wildlife vaccine has been developed to immunize possums against Tb, based on formulation of the human Tb vaccine (M. bovis BCG) in edible lipid matrices. Here BCG bacilli were shown to be stable in lipid matrix formulation for over 8 mo in freezer storage, for 7 wk under room temperature conditions, and for 3-5 wk under field conditions in a forest/pasture margin habitat (when maintained in weatherproof bait-delivery sachets). Samples of the lipid matrix were flavored and offered to captive possums in a bait-preference study: a combination of 10% chocolate powder with anise oil was identified as the most effective attractant/palatability combination. In a replicated field study, 85-100% of wild possums were shown to access chocolate-flavored lipid pellets, when baits were applied to areas holding approximately 600-800 possums/km(2). Finally, in a controlled vaccination/challenge study, chocolate-flavored lipid vaccine samples containing 10(8) BCG bacilli were fed to captive possums, which were subsequently challenged via aerosol exposure to virulent M. bovis: vaccine immunogenicity was confirmed, and protection was identified by significantly reduced postchallenge weight loss in vaccinated animals compared to nonvaccinated controls. These studies indicate that, appropriately flavored, lipid delivery matrices may form effective bait vaccines for the control of Tb in wildlife.

  15. Natural lipids-based NLC containing lidocaine: from pre-formulation to in vivo studies.

    PubMed

    Ribeiro, Lígia N M; Breitkreitz, Márcia C; Guilherme, Viviane A; da Silva, Gustavo H R; Couto, Verônica M; Castro, Simone R; de Paula, Bárbara O; Machado, Daisy; de Paula, Eneida

    2017-08-30

    In a nanotechnological approach we have investigated the use of natural lipids in the preparation of nanostructured lipid carriers (NLC). Three different NLC composed of copaiba oil and beeswax, sweet almond oil and shea butter, and sesame oil and cocoa butter as structural matrices were optimized using factorial analysis; Pluronic® 68 and lidocaine (LDC) were used as the colloidal stabilizer and model encapsulated drug, respectively. The optimal formulations were characterized by different techniques (IR-ATR, DSC, and TEM), and their safety and efficacy were also tested. These nanocarriers were able to upload high amounts of the anesthetic with a sustained in vitro release profile for 24h. The physicochemical stability in terms of size (nm), PDI, zeta potential (mV), pH, nanoparticle concentration (particles/mL), and visual inspection was followed during 12months of storage at 25°C. The formulations exhibited excellent structural properties and stability. They proved to be nontoxic in vitro (cell viability tests with Balb/c 3T3 fibroblasts) and significantly improved the in vivo effects of LDC, over the heart rate of zebra fish larvae and in the blockage of sciatic nerve in mice. The results from this study support that the proper combination of natural excipients is promising in DDS, taking advantage of the biocompatibility, low cost, and diversity of lipids. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. An improved algorithm for balanced POD through an analytic treatment of impulse response tails

    NASA Astrophysics Data System (ADS)

    Tu, Jonathan H.; Rowley, Clarence W.

    2012-06-01

    We present a modification of the balanced proper orthogonal decomposition (balanced POD) algorithm for systems with simple impulse response tails. In this new method, we use dynamic mode decomposition (DMD) to estimate the slowly decaying eigenvectors that dominate the long-time behavior of the direct and adjoint impulse responses. This is done using a new, low-memory variant of the DMD algorithm, appropriate for large datasets. We then formulate analytic expressions for the contribution of these eigenvectors to the controllability and observability Gramians. These contributions can be accounted for in the balanced POD algorithm by simply appending the impulse response snapshot matrices (direct and adjoint, respectively) with particular linear combinations of the slow eigenvectors. Aside from these additions to the snapshot matrices, the algorithm remains unchanged. By treating the tails analytically, we eliminate the need to run long impulse response simulations, lowering storage requirements and speeding up ensuing computations. To demonstrate its effectiveness, we apply this method to two examples: the linearized, complex Ginzburg-Landau equation, and the two-dimensional fluid flow past a cylinder. As expected, reduced-order models computed using an analytic tail match or exceed the accuracy of those computed using the standard balanced POD procedure, at a fraction of the cost.

  17. Formulating physical processes in a full-range model of soil water retention

    NASA Astrophysics Data System (ADS)

    Nimmo, J. R.

    2016-12-01

    Currently-used water retention models vary in how much their formulas correspond to controlling physical processes such as capillarity, adsorption, and air-trapping. In model development, realistic correspondence to physical processes has often been a lower priority than ease of use and compatibility with other models. For example, the wettest range is normally represented simplistically, as by a straight line of zero slope, or by default using the same formulation as for the middle range. The new model presented here recognizes dominant processes within three segments of the range from oven-dryness to saturation. The adsorption-dominated dry range is represented by a logarithmic relation used in earlier models. The middle range of capillary advance/retreat and Haines jumps is represented by a new adaptation of the lognormal distribution function. In the wet range, the expansion of trapped air in response to matric pressure change is important because (1) it displaces water, and (2) it triggers additional volume-adjusting processes such as the collapse of liquid bridges between air pockets. For this range, the model incorporates the Boyles' law inverse-proportionality of trapped air volume and pressure, amplified by an empirical factor to account for the additional processes. With their basis in processes, the model's parameters have a strong physical interpretation, and in many cases can be assigned values from knowledge of fundamental relationships or individual measurements. An advantage of the physically-plausible treatment of the wet range is that it avoids such problems as the blowing-up of derivatives on approach to saturation, enhancing the model's utility for important but challenging wet-range phenomena such as domain exchange between preferential flow paths and soil matrix. Further development might be able to accommodate hysteresis by a systematic adjustment of the relation between the wet and middle ranges.

  18. Matrices. New Topics for Secondary School Mathematics: Materials and Software.

    ERIC Educational Resources Information Center

    North Carolina School of Science and Mathematics. Dept. of Mathematics and Computer Science.

    This material on matrices is part of "Introduction to College Mathematics" (ICM), designed to prepare high school students who have students who have completed algebra II for the variety of mathematics they will encounter in college and beyond. The concept goals of this unit are to use matrices to model real-world phenomena, to use matrices as…

  19. A mathematical model of medial consonant identification by cochlear implant users.

    PubMed

    Svirsky, Mario A; Sagi, Elad; Meyer, Ted A; Kaiser, Adam R; Teoh, Su Wooi

    2011-04-01

    The multidimensional phoneme identification model is applied to consonant confusion matrices obtained from 28 postlingually deafened cochlear implant users. This model predicts consonant matrices based on these subjects' ability to discriminate a set of postulated spectral, temporal, and amplitude speech cues as presented to them by their device. The model produced confusion matrices that matched many aspects of individual subjects' consonant matrices, including information transfer for the voicing, manner, and place features, despite individual differences in age at implantation, implant experience, device and stimulation strategy used, as well as overall consonant identification level. The model was able to match the general pattern of errors between consonants, but not the full complexity of all consonant errors made by each individual. The present study represents an important first step in developing a model that can be used to test specific hypotheses about the mechanisms cochlear implant users employ to understand speech.

  20. A mathematical model of medial consonant identification by cochlear implant users

    PubMed Central

    Svirsky, Mario A.; Sagi, Elad; Meyer, Ted A.; Kaiser, Adam R.; Teoh, Su Wooi

    2011-01-01

    The multidimensional phoneme identification model is applied to consonant confusion matrices obtained from 28 postlingually deafened cochlear implant users. This model predicts consonant matrices based on these subjects’ ability to discriminate a set of postulated spectral, temporal, and amplitude speech cues as presented to them by their device. The model produced confusion matrices that matched many aspects of individual subjects’ consonant matrices, including information transfer for the voicing, manner, and place features, despite individual differences in age at implantation, implant experience, device and stimulation strategy used, as well as overall consonant identification level. The model was able to match the general pattern of errors between consonants, but not the full complexity of all consonant errors made by each individual. The present study represents an important first step in developing a model that can be used to test specific hypotheses about the mechanisms cochlear implant users employ to understand speech. PMID:21476674

  1. Production development of organic nonflammable spacecraft potting, encapsulating and conformal coating compounds. Volume 1: Discussion, figures, and references

    NASA Technical Reports Server (NTRS)

    Lieberman, S. L.

    1974-01-01

    Based upon extensive contacts with vendors, a broad array of non-flammable polymeric specie, and additives generally noted to have flame retarding properties, were considered. The following polymeric matrices were examined: modified silicone and fluorosilicone RTV's polyesters, epoxies, urethanes, and epoxy-urethanes. Optimization of formulations to obtain a suitable balance between the various properties and flammability resistance led to the final selection of a silicone RTV/additive-loaded compound which meets almost all program requirements. The very low valued properties found are within a realistic level of design toleration. Complete formulation, processing, and test data is provided for this compound, EPOCAST 87517-A/B, and the other formulations prepared by the project. Details of those test methods are presented along with procedures utilized in the program. In addition, a description of the special flammability facility previously designed and then modified for this program is also presented.

  2. On making cuts for magnetic scalar potentials in multiply connected regions

    NASA Astrophysics Data System (ADS)

    Kotiuga, P. R.

    1987-04-01

    The problem of making cuts is of importance to scalar potential formulations of three-dimensional eddy current problems. Its heuristic solution has been known for a century [J. C. Maxwell, A Treatise on Electricity and Magnetism, 3rd ed. (Clarendon, Oxford, 1981), Chap. 1, Article 20] and in the last decade, with the use of finite element methods, a restricted combinatorial variant has been proposed and solved [M. L. Brown, Int. J. Numer. Methods Eng. 20, 665 (1984)]. This problem, in its full generality, has never received a rigorous mathematical formulation. This paper presents such a formulation and outlines a rigorous proof of existence. The technique used in the proof expose the incredible intricacy of the general problem and the restrictive assumptions of Brown [Int. J. Numer. Methods Eng. 20, 665 (1984)]. Finally, the results make rigorous Kotiuga's (Ph. D. Thesis, McGill University, Montreal, 1984) heuristic interpretation of cuts and duality theorems via intersection matrices.

  3. K-9 training aids made using additive manufacturing

    DOEpatents

    Reynolds, John G.; Durban, Matthew M.; Gash, Alexander E.; Grapes, Michael D.; Kelley, Ryan S.; Sullivan, Kyle T.

    2018-02-20

    Additive Manufacturing (AM) is used to make aids that target the training of K-9s to detect explosives. The process uses mixtures of explosives and matrices commonly used in AM. The explosives are formulated into a mixture with the matrix and printed using AM techniques and equipment. The explosive concentrations are kept less than 10% by wt. of the mixture to conform to requirements of shipping and handling.

  4. Ultrasonic Mixing of Epoxy Curing Agents.

    DTIC Science & Technology

    1983-05-01

    Li~fl , • 4 Future generation aircraft need higher performance polymer matrices to fully achieve the weight savings possible with composite materials...ref. 1). New resins are being formulated in an effort to understand basic polymer behav- ior and to develop improved resins (refs. 2, 3 and 4). Some... polymer /curing agent combinations that could be useful, cannot be mixed properly using conven- tional methods because of the high melting temperature

  5. Performance of methyl eugenol + matrix + toxicant combinations under field conditions in Hawaii and California for trapping Bactrocera dorsalis (Diptera: Tephritidae).

    PubMed

    Jang, Eric B; Ramsey, Amanda; Carvalho, Lori A

    2013-04-01

    The oriental fruit fly, Bactrocera dorsalis (Hendel) is a major pest of many fruit crops worldwide. Current detection programs by federal and state agencies in the United States use a grid of traps consisting of liquid methyl eugenol (lure) and naled (toxicant) applied to cotton wicks and hung inside the trap. In recent years efforts have been made to incorporate these chemicals into various solid-type matrices that could be individually packaged to reduce human exposure to the chemicals and improve handling. New solid formulations containing methyl eugenol and either naled or dichlorovinyl dimethyl phosphate toxicants were compared with the standard formulations on cotton wicks in large scale field evaluation in Hawaii. Two reduced risk toxicants (spinosad and Rynaxypyr) were also evaluated. In one test the solid lure-toxicant-matrix combinations were sent to California to be weathered under California climate conditions and then sent back to Hawaii for evaluation. The polymer matrices with lure and toxicant were found to be as attractive as baited wicks and have the same longevity of attraction regardless of being weathered in Hawaii or in California. The new ingestible toxicants were also effective, although further testing of these ingestible lure + toxicant + matrix products is necessary.

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

    Peric, A.D.

    Powder and granules of the high density polyethylene (PEHD) were used to prepare mortar based matrices for immobilization of radioactive waste materials containing {sup 137}Cs, as well as containers for solidified radioactive waste form. Seven types of matrices, differ due to the percentage of granules and filler material added, were investigated. PEHD powder and granules were added to mortar matrix preparations with the objective of improving physico-chemical characteristics of the radwaste-mortar matrix mixtures, in particular the leach-rate of the immobilized radionuclide, as well as mechanical characteristics either of mortar matrix and container. In this paper, only mechanical strength aspect ofmore » the investigated mortar and concrete container formulations, is presented. The equivalent diameter of the PEHD granules used was 2.0 mm. PEHD granules were used to replace 100 volume percent of stone granules, sifted size of 2.0 mm, normally used in the matrix preparation, in order to decrease the porosity and density of the mortar matrix and to avoid segregation of the stone particles at the bottom of the immobilized radioactive waste cylindrical form. PEHD powder, particle size of 250 micrometer, was added as filler to the mortar formulation, replacing 5, 8 and 10 wt% of the total cement weight in matrix formulation and 15 and 18 wt% of the total cement weight in container formulation. Cured samples were investigated on mechanical strength, using 150 MPa hydraulic press, in order to determine influence of added polyethylene granules and powder on samples resistance to mechanical forces that solidified waste materials and concrete containers may experience at the disposal site. Results of performed investigations have shown that samples prepared with polyethylene granules, replacing 100 wt% of the stone granules, have almost twice as much mechanical strength than samples prepared with stone aggregate. Samples prepared with PEHD granules and powder have mechanical strength resistance up to 13.5% higher than ones prepared with PEHD granules, solely. Improved Mechanical strength resistance of tested samples accommodates trend that functionally depends on the percentage of PEHD powder added in formulation.« less

  7. A New Model for Self-organized Dynamics and Its Flocking Behavior

    NASA Astrophysics Data System (ADS)

    Motsch, Sebastien; Tadmor, Eitan

    2011-09-01

    We introduce a model for self-organized dynamics which, we argue, addresses several drawbacks of the celebrated Cucker-Smale (C-S) model. The proposed model does not only take into account the distance between agents, but instead, the influence between agents is scaled in term of their relative distance. Consequently, our model does not involve any explicit dependence on the number of agents; only their geometry in phase space is taken into account. The use of relative distances destroys the symmetry property of the original C-S model, which was the key for the various recent studies of C-S flocking behavior. To this end, we introduce here a new framework to analyze the phenomenon of flocking for a rather general class of dynamical systems, which covers systems with non-symmetric influence matrices. In particular, we analyze the flocking behavior of the proposed model as well as other strongly asymmetric models with "leaders". The methodology presented in this paper, based on the notion of active sets, carries over from the particle to kinetic and hydrodynamic descriptions. In particular, we discuss the hydrodynamic formulation of our proposed model, and prove its unconditional flocking for slowly decaying influence functions.

  8. Relative Water Uptake as a Criterion for the Design of Trickle Irrigation Systems

    NASA Astrophysics Data System (ADS)

    Communar, G.; Friedman, S. P.

    2008-12-01

    Previously derived analytical solutions to the 2- and 3-dimensional water flow problems describing trickle irrigation are not being widely used in practice because those formulations either ignore root water uptake or refer to it as a known input. In this lecture we are going to describe a new modeling approach and demonstrate its applicability for designing the geometry of trickle irrigation systems, namely the spacing between the emitters and drip lines. The major difference between our and previous modeling approaches is that we refer to the root water uptake as to the unknown solution of the problem and not as to a known input. We postulate that the solution to the steady-state water flow problem with a root sink that is acting under constant, maximum suction defines un upper bound to the relative water uptake (water use efficiency) in actual transient situations and propose to use it as a design criterion. Following previous derivations of analytical solutions we assume that the soil hydraulic conductivity increases exponentially with its matric head, which allows the linearization of the Richards equation, formulated in terms of the Kirchhoff matric flux potential. Since the transformed problem is linear, the relative water uptake for any given configuration of point or line sources and sinks can be calculated by superposition of the Green's functions of all relevant water sources and sinks. In addition to evaluating the relative water uptake, we also derived analytical expressions for the steam functions. The stream lines separating the water uptake zone from the percolating water provide insight to the dependence of the shape and extent of the actual rooting zone on the source- sink geometry and soil properties. A minimal number of just 3 system parameters: Gardner's (1958) alfa as a soil type quantifier and the depth and diameter of the pre-assumed active root zone are sufficient to characterize the interplay between capillary and gravitational effects on water flow and the competition between the processes of root water uptake and percolation. For accounting also for evaporation from the soil surface, when significant, another parameter is required, adopting the solution of Lomen and Warrick (1978).

  9. Electrically conductive, optically transparent polymer/carbon nanotube composites

    NASA Technical Reports Server (NTRS)

    Smith, Jr., Joseph G. (Inventor); Connell, John W. (Inventor); Ounaies, Zoubeida (Inventor); Park, Cheol (Inventor); Harrison, Joycelyn S. (Inventor); Watson, Kent A. (Inventor)

    2011-01-01

    The present invention is directed to the effective dispersion of carbon nanotubes (CNTs) into polymer matrices. The nanocomposites are prepared using polymer matrices and exhibit a unique combination of properties, most notably, high retention of optical transparency in the visible range (i.e., 400-800 nm), electrical conductivity, and high thermal stability. By appropriate selection of the matrix resin, additional properties such as vacuum ultraviolet radiation resistance, atomic oxygen resistance, high glass transition (T.sub.g) temperatures, and excellent toughness can be attained. The resulting nanocomposites can be used to fabricate or formulate a variety of articles such as coatings on a variety of substrates, films, foams, fibers, threads, adhesives and fiber coated prepreg. The properties of the nanocomposites can be adjusted by selection of the polymer matrix and CNT to fabricate articles that possess high optical transparency and antistatic behavior.

  10. Novel method for enumeration of viable Lactobacillus plantarum WCFS1 cells after single-droplet drying.

    PubMed

    Perdana, Jimmy; Bereschenko, Ludmila; Roghair, Mark; Fox, Martijn B; Boom, Remko M; Kleerebezem, Michiel; Schutyser, Maarten A I

    2012-11-01

    Survival of probiotic bacteria during drying is not trivial. Survival percentages are very specific for each probiotic strain and can be improved by careful selection of drying conditions and proper drying carrier formulation. An experimental approach is presented, comprising a single-droplet drying method and a subsequent novel screening methodology, to assess the microbial viability within single particles. The drying method involves the drying of a single droplet deposited on a flat, hydrophobic surface under well-defined drying conditions and carrier formulations. Semidried or dried particles were subjected to rehydration, fluorescence staining, and live/dead enumeration using fluorescence microscopy. The novel screening methodology provided accurate survival percentages in line with conventional plating enumeration and was evaluated in single-droplet drying experiments with Lactobacillus plantarum WCFS1 as a model probiotic strain. Parameters such as bulk air temperatures and the carrier matrices (glucose, trehalose, and maltodextrin DE 6) were varied. Following the experimental approach, the influence on the viability as a function of the drying history could be monitored. Finally, the applicability of the novel viability assessment was demonstrated for samples obtained from drying experiments at a larger scale.

  11. The multifacet graphically contracted function method. I. Formulation and implementation

    NASA Astrophysics Data System (ADS)

    Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

    2014-08-01

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

  12. The multifacet graphically contracted function method. I. Formulation and implementation.

    PubMed

    Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

    2014-08-14

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

  13. Novel Method for Enumeration of Viable Lactobacillus plantarum WCFS1 Cells after Single-Droplet Drying

    PubMed Central

    Perdana, Jimmy; Bereschenko, Ludmila; Roghair, Mark; Fox, Martijn B.; Boom, Remko M.; Kleerebezem, Michiel

    2012-01-01

    Survival of probiotic bacteria during drying is not trivial. Survival percentages are very specific for each probiotic strain and can be improved by careful selection of drying conditions and proper drying carrier formulation. An experimental approach is presented, comprising a single-droplet drying method and a subsequent novel screening methodology, to assess the microbial viability within single particles. The drying method involves the drying of a single droplet deposited on a flat, hydrophobic surface under well-defined drying conditions and carrier formulations. Semidried or dried particles were subjected to rehydration, fluorescence staining, and live/dead enumeration using fluorescence microscopy. The novel screening methodology provided accurate survival percentages in line with conventional plating enumeration and was evaluated in single-droplet drying experiments with Lactobacillus plantarum WCFS1 as a model probiotic strain. Parameters such as bulk air temperatures and the carrier matrices (glucose, trehalose, and maltodextrin DE 6) were varied. Following the experimental approach, the influence on the viability as a function of the drying history could be monitored. Finally, the applicability of the novel viability assessment was demonstrated for samples obtained from drying experiments at a larger scale. PMID:22983965

  14. Determination of welding residual stresses by inverse approach with eigenstrain formulations of boundary integral equation

    NASA Astrophysics Data System (ADS)

    Ma, Hang; Wang, Ying; Qin, Qing-Hua

    2011-04-01

    Based on the concept of eigenstrain, a straightforward computational model of the inverse approach is proposed for determining the residual stress field induced by welding using the eigenstrain formulations of boundary integral equations. The eigenstrains are approximately expressed in terms of low-order polynomials in the local area around welded zones. The domain integrals with polynomial eigenstrains are transformed into the boundary integrals to preserve the favourable features of the boundary-only discretization in the process of numerical solutions. The sensitivity matrices in the inverse approach for evaluating the eigenstrain fields are constructed by either the measured deformations (displacements) on the boundary or the measured stresses in the domain after welding over a number of selected measuring points, or by both the measured information. It shows from the numerical examples that the results of residual stresses from deformation measurements are always better than those from stress measurements but they are sensitive to the noises from experiments. The results from stress measurements can be improved by introducing a few deformation measuring points while reducing the number of points for stress measuring to reduce the cost since the measurement of deformation is easier than that of stresses in practice.

  15. Effects of HPMC substituent pattern on water up-take, polymer and drug release: An experimental and modelling study.

    PubMed

    Caccavo, Diego; Lamberti, Gaetano; Barba, Anna Angela; Abrahmsén-Alami, Susanna; Viridén, Anna; Larsson, Anette

    2017-08-07

    The purpose of this study was to investigate the hydration behavior of two matrix formulations containing the cellulose derivative hydroxypropyl methylcellulose (HPMC). The two HPMC batches investigated had different substitution pattern along the backbone; the first one is referred to as heterogeneous and the second as homogenous. The release of both the drug molecule theophylline and the polymer was determined. Additionally, the water concentrations at different positions in the swollen gel layers were determined by Magnetic Resonance Imaging. The experimental data was compared to predicted values obtained by the extension of a mechanistic Fickian based model. The hydration of tablets containing the more homogenous HPMC batch showed a gradual water concentration gradient in the gel layer and could be well predicted. The hydration process for the more heterogeneous batch showed a very abrupt step change in the water concentration in the gel layer and could not be well predicted. Based on the comparison between the experimental and predicted data this study suggests, for the first time, that formulations with HPMC of different heterogeneities form gels in different ways. The homogeneous HPMC batch exhibits a water sorption behavior ascribable to a Ficḱs law for the diffusion process whereas the more heterogeneous HPMC batches does not. This conclusion is important in the future development of simulation models and in the understanding of drug release mechanism from hydrophilic matrices. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Modeling error analysis of stationary linear discrete-time filters

    NASA Technical Reports Server (NTRS)

    Patel, R.; Toda, M.

    1977-01-01

    The performance of Kalman-type, linear, discrete-time filters in the presence of modeling errors is considered. The discussion is limited to stationary performance, and bounds are obtained for the performance index, the mean-squared error of estimates for suboptimal and optimal (Kalman) filters. The computation of these bounds requires information on only the model matrices and the range of errors for these matrices. Consequently, a design can easily compare the performance of a suboptimal filter with that of the optimal filter, when only the range of errors in the elements of the model matrices is available.

  17. Electrospun Zein/PCL Fibrous Matrices Release Tetracycline in a Controlled Manner, Killing Staphylococcus aureus Both in Biofilms and Ex Vivo on Pig Skin, and are Compatible with Human Skin Cells.

    PubMed

    Alhusein, Nour; Blagbrough, Ian S; Beeton, Michael L; Bolhuis, Albert; De Bank, Paul A

    2016-01-01

    To investigate the destruction of clinically-relevant bacteria within biofilms via the sustained release of the antibiotic tetracycline from zein-based electrospun polymeric fibrous matrices and to demonstrate the compatibility of such wound dressing matrices with human skin cells. Zein/PCL triple layered fibrous dressings with entrapped tetracycline were electrospun. The successful entrapment of tetracycline in these dressings was validated. The successful release of bioactive tetracycline, the destruction of preformed biofilms, and the viability of fibroblast (FEK4) cells were investigated. The sustained release of tetracycline from these matrices led to the efficient destruction of preformed biofilms from Staphylococcus aureus MRSA252 in vitro, and of MRSA252 and ATCC 25923 bacteria in an ex vivo pig skin model using 1 × 1 cm square matrices containing tetracycline (30 μg). Human FEK4 cells grew normally in the presence of these matrices. The ability of the zein-based matrices to destroy bacteria within increasingly complex in vitro biofilm models was clearly established. An ex vivo pig skin assay showed that these matrices, with entrapped tetracycline, efficiently kill bacteria and this, combined with their compatibility with a human skin cell line suggest these matrices are well suited for applications in wound healing and infection control.

  18. The Role of Channel Distribution Information for Interference Management and Network Performance Enhancement

    DTIC Science & Technology

    2010-11-03

    U,V wTp s.t. Γl ≥ γl,l = 1, . . . , L (2) For a fixed set of channel matrices Hli’s, this problem can be solved and will give a set of power...outage. The main optimization problem using CDI can then be formulated: min p≥0,U,V wTp s.t. Pr(Γl ≤ γl) ≤ αl, l = 1, . . . , L (3) In this formulation...can be written as min p≥0,U,V wTp s.t. 1− e− γl 2 σ2Nl cllpl ∏ i 6=l ( 1 + γl clipi cllpl )−1 ≤ αl, l = 1, . . . , L (11) To get the constraints in (11

  19. On the rank-distance median of 3 permutations.

    PubMed

    Chindelevitch, Leonid; Pereira Zanetti, João Paulo; Meidanis, João

    2018-05-08

    Recently, Pereira Zanetti, Biller and Meidanis have proposed a new definition of a rearrangement distance between genomes. In this formulation, each genome is represented as a matrix, and the distance d is the rank distance between these matrices. Although defined in terms of matrices, the rank distance is equal to the minimum total weight of a series of weighted operations that leads from one genome to the other, including inversions, translocations, transpositions, and others. The computational complexity of the median-of-three problem according to this distance is currently unknown. The genome matrices are a special kind of permutation matrices, which we study in this paper. In their paper, the authors provide an [Formula: see text] algorithm for determining three candidate medians, prove the tight approximation ratio [Formula: see text], and provide a sufficient condition for their candidates to be true medians. They also conduct some experiments that suggest that their method is accurate on simulated and real data. In this paper, we extend their results and provide the following: Three invariants characterizing the problem of finding the median of 3 matrices A sufficient condition for uniqueness of medians that can be checked in O(n) A faster, [Formula: see text] algorithm for determining the median under this condition A new heuristic algorithm for this problem based on compressed sensing A [Formula: see text] algorithm that exactly solves the problem when the inputs are orthogonal matrices, a class that includes both permutations and genomes as special cases. Our work provides the first proof that, with respect to the rank distance, the problem of finding the median of 3 genomes, as well as the median of 3 permutations, is exactly solvable in polynomial time, a result which should be contrasted with its NP-hardness for the DCJ (double cut-and-join) distance and most other families of genome rearrangement operations. This result, backed by our experimental tests, indicates that the rank distance is a viable alternative to the DCJ distance widely used in genome comparisons.

  20. Multigrid method for stability problems

    NASA Technical Reports Server (NTRS)

    Ta'asan, Shlomo

    1988-01-01

    The problem of calculating the stability of steady state solutions of differential equations is addressed. Leading eigenvalues of large matrices that arise from discretization are calculated, and an efficient multigrid method for solving these problems is presented. The resulting grid functions are used as initial approximations for appropriate eigenvalue problems. The method employs local relaxation on all levels together with a global change on the coarsest level only, which is designed to separate the different eigenfunctions as well as to update their corresponding eigenvalues. Coarsening is done using the FAS formulation in a nonstandard way in which the right-hand side of the coarse grid equations involves unknown parameters to be solved on the coarse grid. This leads to a new multigrid method for calculating the eigenvalues of symmetric problems. Numerical experiments with a model problem are presented which demonstrate the effectiveness of the method.

  1. Exact finite element method analysis of viscoelastic tapered structures to transient loads

    NASA Technical Reports Server (NTRS)

    Spyrakos, Constantine Chris

    1987-01-01

    A general method is presented for determining the dynamic torsional/axial response of linear structures composed of either tapered bars or shafts to transient excitations. The method consists of formulating and solving the dynamic problem in the Laplace transform domain by the finite element method and obtaining the response by a numerical inversion of the transformed solution. The derivation of the torsional and axial stiffness matrices is based on the exact solution of the transformed governing equation of motion, and it consequently leads to the exact solution of the problem. The solution permits treatment of the most practical cases of linear tapered bars and shafts, and employs modeling of structures with only one element per member which reduces the number of degrees of freedom involved. The effects of external viscous or internal viscoelastic damping are also taken into account.

  2. Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

    2018-07-01

    A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D0) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing.

  3. Novel absorptivity centering method utilizing normalized and factorized spectra for analysis of mixtures with overlapping spectra in different matrices using built-in spectrophotometer software.

    PubMed

    Lotfy, Hayam Mahmoud; Omran, Yasmin Rostom

    2018-07-05

    A novel, simple, rapid, accurate, and economical spectrophotometric method, namely absorptivity centering (a-Centering) has been developed and validated for the simultaneous determination of mixtures with partially and completely overlapping spectra in different matrices using either normalized or factorized spectrum using built-in spectrophotometer software without a need of special purchased program. Mixture I (Mix I) composed of Simvastatin (SM) and Ezetimibe (EZ) is the one with partial overlapping spectra formulated as tablets, while mixture II (Mix II) formed by Chloramphenicol (CPL) and Prednisolone acetate (PA) is that with complete overlapping spectra formulated as eye drops. These procedures do not require any separation steps. Resolution of spectrally overlapping binary mixtures has been achieved getting recovered zero-order (D 0 ) spectrum of each drug, then absorbance was recorded at their maxima 238, 233.5, 273 and 242.5 nm for SM, EZ, CPL and PA, respectively. Calibration graphs were established with good correlation coefficients. The method shows significant advantages as simplicity, minimal data manipulation besides maximum reproducibility and robustness. Moreover, it was validated according to ICH guidelines. Selectivity was tested using laboratory-prepared mixtures. Accuracy, precision and repeatability were found to be within the acceptable limits. The proposed method is good enough to be applied to an assay of drugs in their combined formulations without any interference from excipients. The obtained results were statistically compared with those of the reported and official methods by applying t-test and F-test at 95% confidence level concluding that there is no significant difference with regard to accuracy and precision. Generally, this method could be used successfully for the routine quality control testing. Copyright © 2018 Elsevier B.V. All rights reserved.

  4. Effect of HPMC - E15 LV premium polymer on release profile and compression characteristics of chitosan/ pectin colon targeted mesalamine matrix tablets and in vitro study on effect of pH impact on the drug release profile.

    PubMed

    Newton, A M J; Lakshmanan, Prabakaran

    2014-04-01

    The study was designed to investigate the in vitro dissolution profile and compression characteristics of colon targeted matrix tablets prepared with HPMC E15 LV in combination with pectin and Chitosan. The matrix tablets were subjected to two dissolution models in various simulated fluids such as pH 1.2, 6, 6.8, 7.2, 5.5. The fluctuations in colonic pH conditions during IBD (inflammatory bowel disease) and the nature of less fluid content in the colon may limit the expected drug release in the polysaccharide-based matrices when used alone. The Hydrophilic hydroxyl propyl methylcellulose ether premium polymer (HPMC E15 LV) of low viscosity grade was used in the formulation design, which made an excellent modification in physical and compression characteristics of the granules. The release studies indicated that the prepared matrices could control the drug release until the dosage form reaches the colon and the addition HPMC E15 LV showed the desirable changes in the dissolution profile by its hydrophilic nature since the colon is known for its less fluid content. The hydrophilic HPMC E15 LV allowed the colonic fluids to enter into the matrix and confirmed the drug release at the target site from a poorly water soluble polymer such as Chitosan and also from water soluble Pectin. The dramatic changes occurred in the drug release profile and physicochemical characteristics of the Pectin, Chitosan matrix tablets when a premium polymer HPMC E15 LV added in the formulation design in the optimized concentration. Various drug release mechanisms used for the examination of drug release characteristics. Drug release followed the combined mechanism of diffusion, erosion, swelling and polymer entanglement. In recent decade, IBD attracts many patents in novel treatment methods by using novel drug delivery systems.

  5. TWave: High-Order Analysis of Functional MRI

    PubMed Central

    Barnathan, Michael; Megalooikonomou, Vasileios; Faloutsos, Christos; Faro, Scott; Mohamed, Feroze B.

    2011-01-01

    The traditional approach to functional image analysis models images as matrices of raw voxel intensity values. Although such a representation is widely utilized and heavily entrenched both within neuroimaging and in the wider data mining community, the strong interactions among space, time, and categorical modes such as subject and experimental task inherent in functional imaging yield a dataset with “high-order” structure, which matrix models are incapable of exploiting. Reasoning across all of these modes of data concurrently requires a high-order model capable of representing relationships between all modes of the data in tandem. We thus propose to model functional MRI data using tensors, which are high-order generalizations of matrices equivalent to multidimensional arrays or data cubes. However, several unique challenges exist in the high-order analysis of functional medical data: naïve tensor models are incapable of exploiting spatiotemporal locality patterns, standard tensor analysis techniques exhibit poor efficiency, and mixtures of numeric and categorical modes of data are very often present in neuroimaging experiments. Formulating the problem of image clustering as a form of Latent Semantic Analysis and using the WaveCluster algorithm as a baseline, we propose a comprehensive hybrid tensor and wavelet framework for clustering, concept discovery, and compression of functional medical images which successfully addresses these challenges. Our approach reduced runtime and dataset size on a 9.3 GB finger opposition motor task fMRI dataset by up to 98% while exhibiting improved spatiotemporal coherence relative to standard tensor, wavelet, and voxel-based approaches. Our clustering technique was capable of automatically differentiating between the frontal areas of the brain responsible for task-related habituation and the motor regions responsible for executing the motor task, in contrast to a widely used fMRI analysis program, SPM, which only detected the latter region. Furthermore, our approach discovered latent concepts suggestive of subject handedness nearly 100x faster than standard approaches. These results suggest that a high-order model is an integral component to accurate scalable functional neuroimaging. PMID:21729758

  6. Evaluation of the accuracy of an offline seasonally-varying matrix transport model for simulating ideal age

    DOE PAGES

    Bardin, Ann; Primeau, Francois; Lindsay, Keith; ...

    2016-07-21

    Newton-Krylov solvers for ocean tracers have the potential to greatly decrease the computational costs of spinning up deep-ocean tracers, which can take several thousand model years to reach equilibrium with surface processes. One version of the algorithm uses offline tracer transport matrices to simulate an annual cycle of tracer concentrations and applies Newton’s method to find concentrations that are periodic in time. Here we present the impact of time-averaging the transport matrices on the equilibrium values of an ideal-age tracer. We compared annually-averaged, monthly-averaged, and 5-day-averaged transport matrices to an online simulation using the ocean component of the Community Earthmore » System Model (CESM) with a nominal horizontal resolution of 1° × 1° and 60 vertical levels. We found that increasing the time resolution of the offline transport model reduced a low age bias from 12% for the annually-averaged transport matrices, to 4% for the monthly-averaged transport matrices, and to less than 2% for the transport matrices constructed from 5-day averages. The largest differences were in areas with strong seasonal changes in the circulation, such as the Northern Indian Ocean. As a result, for many applications the relatively small bias obtained using the offline model makes the offline approach attractive because it uses significantly less computer resources and is simpler to set up and run.« less

  7. Development of BEM for ceramic composites

    NASA Technical Reports Server (NTRS)

    Henry, D. P.; Banerjee, P. K.; Dargush, G. F.

    1990-01-01

    Details on the progress made during the first three years of a five-year program towards the development of a boundary element code are presented. This code was designed for the micromechanical studies of advance ceramic composites. Additional effort was made in generalizing the implementation to allow the program to be applicable to real problems in the aerospace industry. The ceramic composite formulations developed were implemented in the three-dimensional boundary element computer code BEST3D. BEST3D was adopted as the base for the ceramic composite program, so that many of the enhanced features of this general purpose boundary element code could by utilized. Some of these facilities include sophisticated numerical integration, the capability of local definition of boundary conditions, and the use of quadratic shape functions for modeling geometry and field variables on the boundary. The multi-region implementation permits a body to be modeled in substructural parts; thus dramatically reducing the cost of the analysis. Furthermore, it allows a body consisting of regions of different ceramic matrices and inserts to be studied.

  8. Spontaneous parametric down conversion with a depleted pump as an analogue for black hole evaporation/particle production

    NASA Astrophysics Data System (ADS)

    Alsing, P. M.; Fanto, M. L.

    2016-05-01

    In this work we argue that black hole evaporation/particle production has a very close analogy to the laboratory process of spontaneous parametric down conversion, when the pump is allowed to deplete. We present an analytical formulation of the recent one-shot decoupling model that was numerically analyzed in Bradler and Adami Phys. Rev. Lett. 116, 101301 (2016) [arXiv:1505.0284]. We compute the resulting "Page Information" curves, which describe the rate at which information escapes form the black hole as it evaporates, for the reduced density matrices for the evaporating black hole internal degrees of freedom, and emitted Hawking radiation pairs entangled across the horizon. The present work reviews and attempts to elucidate the trilinear Hamiltonian models for black hole evaporation/particle production recently investigated by the authors in Class. Quant. Grav 32, 075010 (2015) [arXiv:1408.4491] and Class. Quant. Grav 33, 015005 (2016) [arXiv:1507.00429].

  9. A direct approach to the design of linear multivariable systems

    NASA Technical Reports Server (NTRS)

    Agrawal, B. L.

    1974-01-01

    Design of multivariable systems is considered and design procedures are formulated in the light of the most recent work on model matching. The word model matching is used exclusively to mean matching the input-output behavior of two systems. The term is used in the frequency domain to indicate the comparison of two transfer matrices containing transfer functions as elements. Design methods where non-interaction is not used as a criteria were studied. Two design methods are considered. The first method of design is based solely upon the specification of generalized error coefficients for each individual transfer function of the overall system transfer matrix. The second design method is called the pole fixing method because all the system poles are fixed at preassigned positions. The zeros of terms either above or below the diagonal are partially fixed via steady state error coefficients. The advantages and disadvantages of each method are discussed and an example is worked to demonstrate their uses. The special cases of triangular decoupling and minimum constraints are discussed.

  10. Bayes linear covariance matrix adjustment

    NASA Astrophysics Data System (ADS)

    Wilkinson, Darren J.

    1995-12-01

    In this thesis, a Bayes linear methodology for the adjustment of covariance matrices is presented and discussed. A geometric framework for quantifying uncertainties about covariance matrices is set up, and an inner-product for spaces of random matrices is motivated and constructed. The inner-product on this space captures aspects of our beliefs about the relationship between covariance matrices of interest to us, providing a structure rich enough for us to adjust beliefs about unknown matrices in the light of data such as sample covariance matrices, exploiting second-order exchangeability and related specifications to obtain representations allowing analysis. Adjustment is associated with orthogonal projection, and illustrated with examples of adjustments for some common problems. The problem of adjusting the covariance matrices underlying exchangeable random vectors is tackled and discussed. Learning about the covariance matrices associated with multivariate time series dynamic linear models is shown to be amenable to a similar approach. Diagnostics for matrix adjustments are also discussed.

  11. Cyclosporine a loaded solid lipid nanoparticles: optimization of formulation, process variable and characterization.

    PubMed

    Varia, Jigisha K; Dodiya, Shamsunder S; Sawant, Krutika K

    2008-01-01

    Solid lipid nanoparticles (SLNs) loaded with Cyclosporine A using glyceryl monostearate (GMS) and glyceryl palmitostearate (GPS) as lipid matrices were prepared by melt-homogenization using high-pressure homogenizer. Various process parameters such as homogenization pressure, homogenization cycles and formulation parameters such as ratio of drug: lipid, emulsifier: lipid and emulsifier: co-emulsifier were optimized using particle size and entrapment efficiencies as the dependent variables. The mean particle size of optimized batches of the GMS SLN and GPS SLN were found to be 131 nm and 158 nm and their entrapment efficiencies were 83 +/- 3.08% and 97 +/- 2.59% respectively. To improve the handling processing and stability of the prepared SLNs, the SLN dispersions were spray dried and its effect on size and reconstitution parameters were evaluated. The spray drying of SLNs did not significantly alter the size of SLNs and they exhibited good redispersibility. Solid state studies such as Infra Red Spectroscopy and Differential Scanning Calorimetry indicated absence of any chemical interaction between Cyclosporine A and the lipids. Scanning Electron Microscopy of optimized formulations showed spherical shape with smooth and non porous surface. In vitro release studies revealed that GMS based SLNs released the drug faster (41.12% in 20 hours) than GPS SLNs (7.958% in 20 hours). Release of Cyclosporine A from GMS SLN followed Higuchi equation better than first order while release from GPS SLN followed first order better than Higuchi model.

  12. Development of a floating drug delivery system with superior buoyancy in gastric fluid using hot-melt extrusion coupled with pressurized CO₂.

    PubMed

    Almutairy, B K; Alshetaili, A S; Ashour, E A; Patil, H; Tiwari, R V; Alshehri, S M; Repka, M A

    2016-03-01

    The present study aimed to develop a continuous single-step manufacturing platform to prepare a porous, low-density, and floating multi-particulate system (mini-tablet, 4 mm size). This process involves injecting inert, non-toxic pressurized CO₂gas (P-CO₂) in zone 4 of a 16-mm hot-melt extruder (HME) to continuously generate pores throughout the carrier matrix. Unlike conventional methods for preparing floating drug delivery systems, additional chemical excipients and additives are not needed in this approach to create minute openings on the surface of the matrices. The buoyancy efficiency of the prepared floating system (injection of P-CO₂) in terms of lag time (0 s) significantly improved (P < 0.05), compared to the formulation prepared by adding the excipient sodium bicarbonate (lag time 120 s). The main advantages of this novel manufacturing technique include: (i) no additional chemical excipients need to be incorporated in the formulation, (ii) few manufacturing steps are required, (iii) high buoyancy efficiency is attained, and (iv) the extrudate is free of toxic solvent residues. Floating mini-tablets containing acetaminophen (APAP) as a model drug within the matrix-forming carrier (Eudragit® RL PO) have been successfully processed via this combined technique (P-CO₂/HME). Desired controlled release profile of APAP from the polymer Eudragit® RL PO is attained in the optimized formulation, which remains buoyant on the surface of gastric fluids prior to gastric emptying time (average each 4 h).

  13. Electrically conductive, optically transparent polymer/carbon nanotube composites and process for preparation thereof

    NASA Technical Reports Server (NTRS)

    Watson, Kent A. (Inventor); Connell, John W. (Inventor); Harrison, Joycelyn S. (Inventor); Park, Cheol (Inventor); Ounaies, Zoubeida (Inventor); Smith, Joseph G. (Inventor)

    2009-01-01

    The present invention is directed to the effective dispersion of carbon nanotubes (CNTs) into polymer matrices. The nanocomposites are prepared using polymer matrices and exhibit a unique combination of properties, most notably, high retention of optical transparency in the visible range (i.e., 400 800 nm), electrical conductivity, and high thermal stability. By appropriate selection of the matrix resin, additional properties such as vacuum ultraviolet radiation resistance, atomic oxygen resistance, high glass transition (T.sub.g) temperatures, and excellent toughness can be attained. The resulting nanocomposites can be used to fabricate or formulate a variety of articles such as coatings on a variety of substrates, films, foams, fibers, threads, adhesives and fiber coated prepreg. The properties of the nanocomposites can be adjusted by selection of the polymer matrix and CNT to fabricate articles that possess high optical transparency and antistatic behavior.

  14. Electrically Conductive, Optically Transparent Polymer/Carbon Nanotube Composites and Process for Preparation Thereof

    NASA Technical Reports Server (NTRS)

    Park, Cheol (Inventor); Connell, John W. (Inventor); Smith, Joseph G. (Inventor); Harrison, Joycelyn S. (Inventor); Watson, Kent A. (Inventor); Ounaies, Zoubeida (Inventor)

    2011-01-01

    The present invention is directed to the effective dispersion of carbon nanotubes (CNTs) into polymer matrices. The nanocomposites are prepared using polymer matrices and exhibit a unique combination of properties, most notably, high retention of optical transparency in the visible range (i.e., 400-800 nm), electrical conductivity, and high thermal stability. By appropriate selection of the matrix resin, additional properties such as vacuum ultraviolet radiation resistance, atomic oxygen resistance, high glass transition (T.sub.g) temperatures, and excellent toughness can be attained. The resulting nanocomposites can be used to fabricate or formulate a variety of articles such as coatings on a variety of substrates, films, foams, fibers, threads, adhesives and fiber coated prepreg. The properties of the nanocomposites can be adjusted by selection of the polymer matrix and CNT to fabricate articles that possess high optical transparency and antistatic behavior.

  15. Electrically Conductive, Optically Transparent Polymer/Carbon Nanotube Composites and Process for Preparation Thereof

    NASA Technical Reports Server (NTRS)

    Park, Cheol (Inventor); Watson, A. (Inventor); Ounales, Zoubeida (Inventor); Connell, John W. (Inventor); Smith, Joseph G. (Inventor); Harrison, Joycelyn S. (Inventor)

    2009-01-01

    The present invention is directed to the effective dispersion of carbon nanotubes (CNTs) into polymer matrices. The nanocomposites are prepared using polymer matrices and exhibit a unique combination of properties, most notably, high retention of optical transparency in the visible range (i.e., 400-800 nm), electrical conductivity, and high thermal stability. By appropriate selection of the matrix resin, additional properties such as vacuum ultraviolet radiation resistance, atomic oxygen resistance, high glass transition (T(sub g)) temperatures, and excellent toughness can be attained. The resulting nanocomposites can be used to fabricate or formulate a variety of articles such as coatings on a variety of substrates, films, foams, fibers, threads, adhesives and fiber coated prepreg. The properties of the nanocomposites can be adjusted hy selection of the polymer matrix and CNT to fabricate articles that possess high optical transparency and antistatic behavior.

  16. Video based object representation and classification using multiple covariance matrices.

    PubMed

    Zhang, Yurong; Liu, Quan

    2017-01-01

    Video based object recognition and classification has been widely studied in computer vision and image processing area. One main issue of this task is to develop an effective representation for video. This problem can generally be formulated as image set representation. In this paper, we present a new method called Multiple Covariance Discriminative Learning (MCDL) for image set representation and classification problem. The core idea of MCDL is to represent an image set using multiple covariance matrices with each covariance matrix representing one cluster of images. Firstly, we use the Nonnegative Matrix Factorization (NMF) method to do image clustering within each image set, and then adopt Covariance Discriminative Learning on each cluster (subset) of images. At last, we adopt KLDA and nearest neighborhood classification method for image set classification. Promising experimental results on several datasets show the effectiveness of our MCDL method.

  17. A method based on the Jacobi tau approximation for solving multi-term time-space fractional partial differential equations

    NASA Astrophysics Data System (ADS)

    Bhrawy, A. H.; Zaky, M. A.

    2015-01-01

    In this paper, we propose and analyze an efficient operational formulation of spectral tau method for multi-term time-space fractional differential equation with Dirichlet boundary conditions. The shifted Jacobi operational matrices of Riemann-Liouville fractional integral, left-sided and right-sided Caputo fractional derivatives are presented. By using these operational matrices, we propose a shifted Jacobi tau method for both temporal and spatial discretizations, which allows us to present an efficient spectral method for solving such problem. Furthermore, the error is estimated and the proposed method has reasonable convergence rates in spatial and temporal discretizations. In addition, some known spectral tau approximations can be derived as special cases from our algorithm if we suitably choose the corresponding special cases of Jacobi parameters θ and ϑ. Finally, in order to demonstrate its accuracy, we compare our method with those reported in the literature.

  18. Dwell time-based stabilisation of switched delay systems using free-weighting matrices

    NASA Astrophysics Data System (ADS)

    Koru, Ahmet Taha; Delibaşı, Akın; Özbay, Hitay

    2018-01-01

    In this paper, we present a quasi-convex optimisation method to minimise an upper bound of the dwell time for stability of switched delay systems. Piecewise Lyapunov-Krasovskii functionals are introduced and the upper bound for the derivative of Lyapunov functionals is estimated by free-weighting matrices method to investigate non-switching stability of each candidate subsystems. Then, a sufficient condition for the dwell time is derived to guarantee the asymptotic stability of the switched delay system. Once these conditions are represented by a set of linear matrix inequalities , dwell time optimisation problem can be formulated as a standard quasi-convex optimisation problem. Numerical examples are given to illustrate the improvements over previously obtained dwell time bounds. Using the results obtained in the stability case, we present a nonlinear minimisation algorithm to synthesise the dwell time minimiser controllers. The algorithm solves the problem with successive linearisation of nonlinear conditions.

  19. Parallel Polarization State Generation

    NASA Astrophysics Data System (ADS)

    She, Alan; Capasso, Federico

    2016-05-01

    The control of polarization, an essential property of light, is of wide scientific and technological interest. The general problem of generating arbitrary time-varying states of polarization (SOP) has always been mathematically formulated by a series of linear transformations, i.e. a product of matrices, imposing a serial architecture. Here we show a parallel architecture described by a sum of matrices. The theory is experimentally demonstrated by modulating spatially-separated polarization components of a laser using a digital micromirror device that are subsequently beam combined. This method greatly expands the parameter space for engineering devices that control polarization. Consequently, performance characteristics, such as speed, stability, and spectral range, are entirely dictated by the technologies of optical intensity modulation, including absorption, reflection, emission, and scattering. This opens up important prospects for polarization state generation (PSG) with unique performance characteristics with applications in spectroscopic ellipsometry, spectropolarimetry, communications, imaging, and security.

  20. Human exposure assessment in the near field of GSM base-station antennas using a hybrid finite element/method of moments technique.

    PubMed

    Meyer, Frans J C; Davidson, David B; Jakobus, Ulrich; Stuchly, Maria A

    2003-02-01

    A hybrid finite-element method (FEM)/method of moments (MoM) technique is employed for specific absorption rate (SAR) calculations in a human phantom in the near field of a typical group special mobile (GSM) base-station antenna. The MoM is used to model the metallic surfaces and wires of the base-station antenna, and the FEM is used to model the heterogeneous human phantom. The advantages of each of these frequency domain techniques are, thus, exploited, leading to a highly efficient and robust numerical method for addressing this type of bioelectromagnetic problem. The basic mathematical formulation of the hybrid technique is presented. This is followed by a discussion of important implementation details-in particular, the linear algebra routines for sparse, complex FEM matrices combined with dense MoM matrices. The implementation is validated by comparing results to MoM (surface equivalence principle implementation) and finite-difference time-domain (FDTD) solutions of human exposure problems. A comparison of the computational efficiency of the different techniques is presented. The FEM/MoM implementation is then used for whole-body and critical-organ SAR calculations in a phantom at different positions in the near field of a base-station antenna. This problem cannot, in general, be solved using the MoM or FDTD due to computational limitations. This paper shows that the specific hybrid FEM/MoM implementation is an efficient numerical tool for accurate assessment of human exposure in the near field of base-station antennas.

  1. Dyadic Green function for the electromagnetic field in mutilayered isotropic media - An operator approach

    NASA Astrophysics Data System (ADS)

    Sphicopoulos, T.; Teodoridis, V.; Gardiol, F. E.

    1985-08-01

    The dyadic Green functions of electric and magnetic type for multilayered isotropic media are discussed, and a tractable form is obtained by an operator method, which does not involve infinite sums of Hansen functions. The formulation considers a TE-TM decomposition and the use of propagation matrices. Special attention is given to the application of these functions to the analysis of problems in the field of nondestructive measurement of materials.

  2. An automated procedure for calculating system matrices from perturbation data generated by an EAI Pacer and 100 hybrid computer system

    NASA Technical Reports Server (NTRS)

    Milner, E. J.; Krosel, S. M.

    1977-01-01

    Techniques are presented for determining the elements of the A, B, C, and D state variable matrices for systems simulated on an EAI Pacer 100 hybrid computer. An automated procedure systematically generates disturbance data necessary to linearize the simulation model and stores these data on a floppy disk. A separate digital program verifies this data, calculates the elements of the system matrices, and prints these matrices appropriately labeled. The partial derivatives forming the elements of the state variable matrices are approximated by finite difference calculations.

  3. Melt processed crystalline ceramic waste forms for advanced nuclear fuel cycles: CRP T21027 1813: Processing technologies for high level waste, formulation of matrices and characterization of waste forms, task 17208: Final report

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

    Amoroso, J. W.; Marra, J. C.

    2015-08-26

    A multi-phase ceramic waste form is being developed at the Savannah River National Laboratory (SRNL) for treatment of secondary waste streams generated by reprocessing commercial spent nuclear. The envisioned waste stream contains a mixture of transition, alkali, alkaline earth, and lanthanide metals. Ceramic waste forms are tailored (engineered) to incorporate waste components as part of their crystal structure based on knowledge from naturally found minerals containing radioactive and non-radioactive species similar to the radionuclides of concern in wastes from fuel reprocessing. The ability to tailor ceramics to mimic naturally occurring crystals substantiates the long term stability of such crystals (ceramics)more » over geologic timescales of interest for nuclear waste immobilization [1]. A durable multi-phase ceramic waste form tailored to incorporate all the waste components has the potential to broaden the available disposal options and thus minimize the storage and disposal costs associated with aqueous reprocessing. This report summarizes results from three years of work on the IAEA Coordinated Research Project on “Processing technologies for high level waste, formulation of matrices and characterization of waste forms” (T21027), and specific task “Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles” (17208).« less

  4. Melt processed crystalline ceramic waste forms for advanced nuclear fuel cycles: CRP T21027 1813: Processing technologies for high level waste, formulation of matrices and characterization of waste forms, Task 17208: Final report

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

    Amoroso, J. W.; Marra, J. C.

    2015-08-26

    A multi-phase ceramic waste form is being developed at the Savannah River National Laboratory (SRNL) for treatment of secondary waste streams generated by reprocessing commercial spent nuclear. The envisioned waste stream contains a mixture of transition, alkali, alkaline earth, and lanthanide metals. Ceramic waste forms are tailored (engineered) to incorporate waste components as part of their crystal structure based on knowledge from naturally found minerals containing radioactive and non-radioactive species similar to the radionuclides of concern in wastes from fuel reprocessing. The ability to tailor ceramics to mimic naturally occurring crystals substantiates the long term stability of such crystals (ceramics)more » over geologic timescales of interest for nuclear waste immobilization [1]. A durable multi-phase ceramic waste form tailored to incorporate all the waste components has the potential to broaden the available disposal options and thus minimize the storage and disposal costs associated with aqueous reprocessing. This report summarizes results from three years of work on the IAEA Coordinated Research Project on “Processing technologies for high level waste, formulation of matrices and characterization of waste forms” (T21027), and specific task “Melt Processed Crystalline Ceramic Waste Forms for Advanced Nuclear Fuel Cycles” (17208).« less

  5. Bioactive capacity, sensory properties, and nutritional analysis of a shelf stable protein-rich functional ingredient with concentrated fruit and vegetable phytoactives.

    PubMed

    Grace, Mary H; Yousef, Gad G; Esposito, Debora; Raskin, Ilya; Lila, Mary Ann

    2014-12-01

    Well-known health-protective phytochemicals from muscadine grape and kale were stably complexed with food grade protein (soy or hemp protein isolates) to create biofortified food ingredients for use in a variety of convenient, portable food formulations. The bioactive (anti-inflammatory) potential, sensory attributes and proximates of the prepared formulations were evaluated in this study. Anti-inflammatory properties of the protein-phytoactive ingredient particles were contributed by the polyphenolic content (muscadine-protein) or the combination of polyphenol, carotenoid, and glucosinolate content (kale-protein aggregates). Phytoactive compounds from the fortified matrices suppressed at least two biomarkers of inflammation; most notable with the expression of chronic pro-inflammatory genes IL-6 and Mcp1. Sensory analysis suggested both sweet and savory functional food applications for the biofortified ingredients. Proximate analyses determined that fortification of the soy protein isolate (SPI) with muscadine or kale bioactives resulted in elevated dietary fibers, total carbohydrates, and free sugars, but did not increase calories/100 g dry matrix compared to unfortified SPI. Overall protein content in the aggregate matrices was about 37% less (muscadine-SPI, kale-SPI and kale- HP50) or 17.6% less (muscadine-HP50) on a weight basis, likely due to solubility of some proteins during preparation and partial displacement of some protein mass by the fruit and vegetable phytoactive constituents.

  6. Tensor Sparse Coding for Positive Definite Matrices.

    PubMed

    Sivalingam, Ravishankar; Boley, Daniel; Morellas, Vassilios; Papanikolopoulos, Nikos

    2013-08-02

    In recent years, there has been extensive research on sparse representation of vector-valued signals. In the matrix case, the data points are merely vectorized and treated as vectors thereafter (for e.g., image patches). However, this approach cannot be used for all matrices, as it may destroy the inherent structure of the data. Symmetric positive definite (SPD) matrices constitute one such class of signals, where their implicit structure of positive eigenvalues is lost upon vectorization. This paper proposes a novel sparse coding technique for positive definite matrices, which respects the structure of the Riemannian manifold and preserves the positivity of their eigenvalues, without resorting to vectorization. Synthetic and real-world computer vision experiments with region covariance descriptors demonstrate the need for and the applicability of the new sparse coding model. This work serves to bridge the gap between the sparse modeling paradigm and the space of positive definite matrices.

  7. Tensor sparse coding for positive definite matrices.

    PubMed

    Sivalingam, Ravishankar; Boley, Daniel; Morellas, Vassilios; Papanikolopoulos, Nikolaos

    2014-03-01

    In recent years, there has been extensive research on sparse representation of vector-valued signals. In the matrix case, the data points are merely vectorized and treated as vectors thereafter (for example, image patches). However, this approach cannot be used for all matrices, as it may destroy the inherent structure of the data. Symmetric positive definite (SPD) matrices constitute one such class of signals, where their implicit structure of positive eigenvalues is lost upon vectorization. This paper proposes a novel sparse coding technique for positive definite matrices, which respects the structure of the Riemannian manifold and preserves the positivity of their eigenvalues, without resorting to vectorization. Synthetic and real-world computer vision experiments with region covariance descriptors demonstrate the need for and the applicability of the new sparse coding model. This work serves to bridge the gap between the sparse modeling paradigm and the space of positive definite matrices.

  8. Development of gastro intestinal sustained release tablet formulation containing acryl-EZE and pH-dependent swelling HPMC K 15 M.

    PubMed

    Lamoudi, Lynda; Chaumeil, Jean Claude; Daoud, Kamel

    2012-05-01

    The aim of this study was to evaluate physical properties and release from matrix tablets containing different ratios of HPMC 15 M and Acryl-EZE. A further aim is to assess their suitability for pH dependent controlled release. Matrix tablets containing HPMC 15 M and Acryl-EZE were manufactured using a fluidized bed. The release from this matrix using Sodium Diclofenac (SD) as model drug is studied in two dissolution media (0.1 N HCl or pH = 6.8 phosphate buffer solution); the release rate, mechanism, and pH dependence were characterized by fitting four kinetic models and by using a similarity factor analysis. The obtained results revealed that the presence of Acryl-EZE in the matrix tablets is effective in protecting the dosage forms from release in acid environments such as gastric fluid. In pH = 6.8 phosphate buffer, the drug release rate and mechanism of release from all matrices is mainly controlled by HPMC 15 M. The model of Korsmeyer-Peppas was found to fit experimental dissolution results.

  9. A Coupled Aeroelastic Model for Launch Vehicle Stability Analysis

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.

    2010-01-01

    A technique for incorporating distributed aerodynamic normal forces and aeroelastic coupling effects into a stability analysis model of a launch vehicle is presented. The formulation augments the linear state-space launch vehicle plant dynamics that are compactly derived as a system of coupled linear differential equations representing small angular and translational perturbations of the rigid body, nozzle, and sloshing propellant coupled with normal vibration of a set of orthogonal modes. The interaction of generalized forces due to aeroelastic coupling and thrust can be expressed as a set of augmenting non-diagonal stiffness and damping matrices in modal coordinates with no penalty on system order. While the eigenvalues of the structural response in the presence of thrust and aeroelastic forcing can be predicted at a given flight condition independent of the remaining degrees of freedom, the coupled model provides confidence in closed-loop stability in the presence of rigid-body, slosh, and actuator dynamics. Simulation results are presented that characterize the coupled dynamic response of the Ares I launch vehicle and the impact of aeroelasticity on control system stability margins.

  10. Ephemeral profiles of prescription drug and formulation tampering: evolving pseudoscience on the Internet.

    PubMed

    Cone, Edward J

    2006-06-01

    The magnitude of non-therapeutic use, or misuse of prescription pharmaceuticals now rivals that of illicit drug abuse. Drug and formulation tampering enables misusers to administer higher doses by intended and non-intended routes. Perceived motives appear to be a combination of interests in achieving a faster onset and enhancing psychoactive effects. Narcotic analgesics, stimulants, and depressants are widely sought, examined, and tampered with for recreational use. This review examines tampering methods reported on the Internet for selected pharmaceutical products. The Internet provides broad and varied guidance on tampering methods that are specific to drug classes and unique formulations. Instructions are available on crushing, separating, purifying and chemically altering specific formulations to allow changes in dosage, route of administration, and time course of effects. Many pharmaceutical formulations contain features that serve as "barriers" to tampering. The nature and effectiveness of formulation barriers vary widely with many being overcome by adventurous misusers. Examples of successes and failures in tampering attempts are frequently described on Internet sites that support recreational drug use. Successful tampering methods that have widespread appeal evolve into recipes and become archived on multiple websites. Examples of tampering methods include: (1) how to separate narcotic drugs (codeine, hydrocodone, oxycodone) from excipients and non-desirable actives (aspirin, acetaminophen, ibuprofen); (2) overcoming time-release formulations (beads, layers, matrices); (3) removal of active drug from high-dose formulations (patches, pills); (4) alteration of dosage forms for alternate routes of administration. The development of successful formulations that inhibit or prevent drug/formulation tampering with drugs of abuse should take into consideration the scope and practice of tampering methods available to recreational drug users on the Internet.

  11. A Tensor Product Formulation of Strassen's Matrix Multiplication Algorithm with Memory Reduction

    DOE PAGES

    Kumar, B.; Huang, C. -H.; Sadayappan, P.; ...

    1995-01-01

    In this article, we present a program generation strategy of Strassen's matrix multiplication algorithm using a programming methodology based on tensor product formulas. In this methodology, block recursive programs such as the fast Fourier Transforms and Strassen's matrix multiplication algorithm are expressed as algebraic formulas involving tensor products and other matrix operations. Such formulas can be systematically translated to high-performance parallel/vector codes for various architectures. In this article, we present a nonrecursive implementation of Strassen's algorithm for shared memory vector processors such as the Cray Y-MP. A previous implementation of Strassen's algorithm synthesized from tensor product formulas required working storagemore » of size O(7 n ) for multiplying 2 n × 2 n matrices. We present a modified formulation in which the working storage requirement is reduced to O(4 n ). The modified formulation exhibits sufficient parallelism for efficient implementation on a shared memory multiprocessor. Performance results on a Cray Y-MP8/64 are presented.« less

  12. Introduction to the QIAT Self-Evaluation Matrices

    ERIC Educational Resources Information Center

    Zabala, Joy Smiley; Carl, Diana F.

    2004-01-01

    The QIAT Self-Evaluation Matrices (QILT, 2001) were developed in response to formative evaluation data indicating a need for a model that could assist in the application of the Quality Indicators for Assistive Technology Services in Schools (Zabala, et al, 2000). The QIAT Matrices are based on the idea that change does not happen immediately, but…

  13. Time simulation of flutter with large stiffness changes

    NASA Technical Reports Server (NTRS)

    Karpel, M.; Wieseman, C. D.

    1992-01-01

    Time simulation of flutter, involving large local structural changes, is formulated with a state-space model that is based on a relatively small number of generalized coordinates. Free-free vibration modes are first calculated for a nominal finite-element model with relatively large fictitious masses located at the area of structural changes. A low-frequency subset of these modes is then transformed into a set of structural modal coordinates with which the entire simulation is performed. These generalized coordinates and the associated oscillatory aerodynamic force coefficient matrices are used to construct an efficient time-domain, state-space model for basic aeroelastic case. The time simulation can then be performed by simply changing the mass, stiffness and damping coupling terms when structural changes occur. It is shown that the size of the aeroelastic model required for time simulation with large structural changes at a few a priori known locations is similar to that required for direct analysis of a single structural case. The method is applied to the simulation of an aeroelastic wind-tunnel model. The diverging oscillations are followed by the activation of a tip-ballast decoupling mechanism that stabilizes the system but may cause significant transient overshoots.

  14. Time simulation of flutter with large stiffness changes

    NASA Technical Reports Server (NTRS)

    Karpel, Mordechay; Wieseman, Carol D.

    1992-01-01

    Time simulation of flutter, involving large local structural changes, is formulated with a state-space model that is based on a relatively small number of generalized coordinates. Free-free vibration modes are first calculated for a nominal finite-element model with relatively large fictitious masses located at the area of structural changes. A low-frequency subset of these modes is then transformed into a set of structural modal coordinates with which the entire simulation is performed. These generalized coordinates and the associated oscillatory aerodynamic force coefficient matrices are used to construct an efficient time-domain, state-space model for a basic aeroelastic case. The time simulation can then be performed by simply changing the mass, stiffness, and damping coupling terms when structural changes occur. It is shown that the size of the aeroelastic model required for time simulation with large structural changes at a few apriori known locations is similar to that required for direct analysis of a single structural case. The method is applied to the simulation of an aeroelastic wind-tunnel model. The diverging oscillations are followed by the activation of a tip-ballast decoupling mechanism that stabilizes the system but may cause significant transient overshoots.

  15. Random walks based multi-image segmentation: Quasiconvexity results and GPU-based solutions

    PubMed Central

    Collins, Maxwell D.; Xu, Jia; Grady, Leo; Singh, Vikas

    2012-01-01

    We recast the Cosegmentation problem using Random Walker (RW) segmentation as the core segmentation algorithm, rather than the traditional MRF approach adopted in the literature so far. Our formulation is similar to previous approaches in the sense that it also permits Cosegmentation constraints (which impose consistency between the extracted objects from ≥ 2 images) using a nonparametric model. However, several previous nonparametric cosegmentation methods have the serious limitation that they require adding one auxiliary node (or variable) for every pair of pixels that are similar (which effectively limits such methods to describing only those objects that have high entropy appearance models). In contrast, our proposed model completely eliminates this restrictive dependence –the resulting improvements are quite significant. Our model further allows an optimization scheme exploiting quasiconvexity for model-based segmentation with no dependence on the scale of the segmented foreground. Finally, we show that the optimization can be expressed in terms of linear algebra operations on sparse matrices which are easily mapped to GPU architecture. We provide a highly specialized CUDA library for Cosegmentation exploiting this special structure, and report experimental results showing these advantages. PMID:25278742

  16. Efficacy of tebuconazole embedded in biodegradable poly-3-hydroxybutyrate to inhibit the development of Fusarium moniliforme in soil microecosystems.

    PubMed

    Volova, Tatiana G; Prudnikova, Svetlana V; Zhila, Natalia O; Vinogradova, Olga N; Shumilova, Anna A; Nikolaeva, Elena D; Kiselev, Evgeniy G; Shishatskaya, Ekaterina I

    2017-05-01

    An important line of research is the development of a new generation of formulations with targeted and controlled release of the pesticide, using matrices made from biodegradable materials. In this study, slow-release formulations of the fungicide tebuconazole (TEB) have been prepared by embedding it into the matrix of poly-3-hydroxybutyrate (P3HB) in the form of films, microgranules and pellets. The average rates of P3HB degradation were determined by the geometry of the formulation, reaching, for 63 days, 0.095-0.116, 0.081-0.083 and 0.030-0.055 mg day -1 for films, microgranules and pellets respectively. The fungicidal activity of P3HB/TEB against the plant pathogen Fusarium moniliforme was compared with that of the commercial formulation Raxil Ultra. A pronounced fungicidal effect of the experimental P3HB/TEB formulations was observed in 2-4 weeks after application, and it was retained for 8 weeks, without affecting significantly the development of soil aboriginal microflora. TEB release can be regulated by the process employed to fabricate the formulation and the fungicide loading, and the TEB accumulates in the soil gradually, as the polymer is degraded. The experimental forms of TEB embedded in the slowly degraded P3HB can be used as a basis for developing slow-release fungicide formulations. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  17. Estimating soil matric potential in Owens Valley, California

    USGS Publications Warehouse

    Sorenson, Stephen K.; Miller, R.F.; Welch, M.R.; Groeneveld, D.P.; Branson, F.A.

    1988-01-01

    Much of the floor of the Owens Valley, California, is covered with alkaline scrub and alkaline meadow plant communities, whose existence is dependent partly on precipitation and partly on water infiltrated into the rooting zone from the shallow water table. The extent to which these plant communities are capable of adapting to and surviving fluctuations in the water table depends on physiological adaptations of the plants and on the water content, matric potential characteristics of the soils. Two methods were used to estimate soil matric potential in test sites in Owens Valley. The first was the filter-paper method, which uses water content of filter papers equilibrated to water content of soil samples taken with a hand auger. The other method of estimating soil matric potential was a modeling approach based on data from this and previous investigations. These data indicate that the base 10 logarithm of soil matric potential is a linear function of gravimetric soil water content for a particular soil. Estimates of soil water characteristic curves were made at two sites by averaging the gravimetric soil water content and soil matric potential values from multiple samples at 0.1 m depths derived by using the hand auger and filter paper method and entering these values in the soil water model. The characteristic curves then were used to estimate soil matric potential from estimates of volumetric soil water content derived from neutron-probe readings. Evaluation of the modeling technique at two study sites indicated that estimates of soil matric potential within 0.5 pF units of the soil matric potential value derived by using the filter paper method could be obtained 90 to 95% of the time in soils where water content was less than field capacity. The greatest errors occurred at depths where there was a distinct transition between soils of different textures. (Lantz-PTT)

  18. Beyond the functional matrix hypothesis: a network null model of human skull growth for the formation of bone articulations

    PubMed Central

    Esteve-Altava, Borja; Rasskin-Gutman, Diego

    2014-01-01

    Craniofacial sutures and synchondroses form the boundaries among bones in the human skull, providing functional, developmental and evolutionary information. Bone articulations in the skull arise due to interactions between genetic regulatory mechanisms and epigenetic factors such as functional matrices (soft tissues and cranial cavities), which mediate bone growth. These matrices are largely acknowledged for their influence on shaping the bones of the skull; however, it is not fully understood to what extent functional matrices mediate the formation of bone articulations. Aiming to identify whether or not functional matrices are key developmental factors guiding the formation of bone articulations, we have built a network null model of the skull that simulates unconstrained bone growth. This null model predicts bone articulations that arise due to a process of bone growth that is uniform in rate, direction and timing. By comparing predicted articulations with the actual bone articulations of the human skull, we have identified which boundaries specifically need the presence of functional matrices for their formation. We show that functional matrices are necessary to connect facial bones, whereas an unconstrained bone growth is sufficient to connect non-facial bones. This finding challenges the role of the brain in the formation of boundaries between bones in the braincase without neglecting its effect on skull shape. Ultimately, our null model suggests where to look for modified developmental mechanisms promoting changes in bone growth patterns that could affect the development and evolution of the head skeleton. PMID:24975579

  19. Estimating soil matric potential in Owens Valley, California

    USGS Publications Warehouse

    Sorenson, Stephen K.; Miller, Reuben F.; Welch, Michael R.; Groeneveld, David P.; Branson, Farrel A.

    1989-01-01

    Much of the floor of Owens Valley, California, is covered with alkaline scrub and alkaline meadow plant communities, whose existence is dependent partly on precipitation and partly on water infiltrated into the rooting zone from the shallow water table. The extent to which these plant communities are capable of adapting to and surviving fluctuations in the water table depends on physiological adaptations of the plants and on the water content, matric potential characteristics of the soils. Two methods were used to estimate soil matric potential in test sites in Owens Valley. The first, the filter-paper method, uses water content of filter papers equilibrated to water content of soil samples taken with a hand auger. The previously published calibration relations used to estimate soil matric potential from the water content of the filter papers were modified on the basis of current laboratory data. The other method of estimating soil matric potential was a modeling approach based on data from this and previous investigations. These data indicate that the base-10 logarithm of soil matric potential is a linear function of gravimetric soil water content for a particular soil. The slope and intercepts of this function vary with the texture and saturation capacity of the soil. Estimates of soil water characteristic curves were made at two sites by averaging the gravimetric soil water content and soil matric potential values from multiple samples at 0.1-m depth intervals derived by using the hand auger and filter-paper method and entering these values in the soil water model. The characteristic curves then were used to estimate soil matric potential from estimates of volumetric soil water content derived from neutron-probe readings. Evaluation of the modeling technique at two study sites indicated that estimates of soil matric potential within 0.5 pF units of the soil matric potential value derived by using the filter-paper method could be obtained 90 to 95 percent of the time in soils where water content was less than field capacity. The greatest errors occurred at depths where there was a distinct transition between soils of different textures.

  20. Direct generation of event-timing equations for generalized flow shop systems

    NASA Astrophysics Data System (ADS)

    Doustmohammadi, Ali; Kamen, Edward W.

    1995-11-01

    Flow shop production lines are very common in manufacturing systems such as car assemblies, manufacturing of electronic circuits, etc. In this paper, a systematic procedure is given for generating event-timing equations directly from the machine interconnections for a generalized flow shop system. The events considered here correspond to completion times of machine operations. It is assumed that the scheduling policy is cyclic (periodic). For a given flow shop system, the open connection dynamics of the machines are derived first. Then interconnection matrices characterizing the routing of parts in the system are obtained from the given system configuration. The open connection dynamics of the machines and the interconnection matrices are then combined together to obtain the overall system dynamics given by an equation of the form X(k+1) equals A(k)X(k) B(k)V(k+1) defined over the max-plus algebra. Here the state X(k) is the vector of completion times and V(k+1) is an external input vector consisting of the arrival times of parts. It is shown that if the machines are numbered in an appropriate way and the states are selected according to certain rules, the matrix A(k) will be in a special (canonical) form. The model obtained here is useful or the analysis of system behavior and for carrying out simulations. In particular, the canonical form of A(k) enables one to study system bottlenecks and the minimal cycle time during steady-state operation. The approach presented in this paper is believed to be more straightforward compared to existing max-plus algebra formulations of flow shop systems. In particular, three advantages of the proposed approach are: (1) it yields timing equations directly from the system configuration and hence there is no need to first derive a Petri net or a digraph equivalent of the system; (2) a change in the system configuration only affects the interconnection matrices and hence does not require rederiving the entire set of equations; (3) the system model is easily put into code using existing software packages such as MATLAB.

  1. Exploiting Multiple Levels of Parallelism in Sparse Matrix-Matrix Multiplication

    DOE PAGES

    Azad, Ariful; Ballard, Grey; Buluc, Aydin; ...

    2016-11-08

    Sparse matrix-matrix multiplication (or SpGEMM) is a key primitive for many high-performance graph algorithms as well as for some linear solvers, such as algebraic multigrid. The scaling of existing parallel implementations of SpGEMM is heavily bound by communication. Even though 3D (or 2.5D) algorithms have been proposed and theoretically analyzed in the flat MPI model on Erdös-Rényi matrices, those algorithms had not been implemented in practice and their complexities had not been analyzed for the general case. In this work, we present the first implementation of the 3D SpGEMM formulation that exploits multiple (intranode and internode) levels of parallelism, achievingmore » significant speedups over the state-of-the-art publicly available codes at all levels of concurrencies. We extensively evaluate our implementation and identify bottlenecks that should be subject to further research.« less

  2. Development of an orthotropic hole element

    NASA Technical Reports Server (NTRS)

    Smith, C. V.; Markham, J. W.; Kelley, J. W.; Kathiresan, K.

    1981-01-01

    A finite element was developed which adequately represents the state of stress in the region around a circular hole in orthotropic material experiencing reasonably general loading. This was achieved with a complementary virtual work formulation of the stiffness and stress matrices for a square element with center circular hole. The assumed stress state provides zero shearing stress on the hole boundary, so the element is suitable for problems involving load transfer without friction. The element has been implemented in the NASTRAN computer program, and sample problem results are presented.

  3. Optimum structural design with static aeroelastic constraints

    NASA Technical Reports Server (NTRS)

    Bowman, Keith B; Grandhi, Ramana V.; Eastep, F. E.

    1989-01-01

    The static aeroelastic performance characteristics, divergence velocity, control effectiveness and lift effectiveness are considered in obtaining an optimum weight structure. A typical swept wing structure is used with upper and lower skins, spar and rib thicknesses, and spar cap and vertical post cross-sectional areas as the design parameters. Incompressible aerodynamic strip theory is used to derive the constraint formulations, and aerodynamic load matrices. A Sequential Unconstrained Minimization Technique (SUMT) algorithm is used to optimize the wing structure to meet the desired performance constraints.

  4. Minimizing distortion and internal forces in truss structures by simulated annealing

    NASA Technical Reports Server (NTRS)

    Kincaid, Rex K.; Padula, Sharon L.

    1990-01-01

    Inaccuracies in the length of members and the diameters of joints of large space structures may produce unacceptable levels of surface distortion and internal forces. Here, two discrete optimization problems are formulated, one to minimize surface distortion (DSQRMS) and the other to minimize internal forces (FSQRMS). Both of these problems are based on the influence matrices generated by a small-deformation linear analysis. Good solutions are obtained for DSQRMS and FSQRMS through the use of a simulated annealing heuristic.

  5. Chromium Ions Improve Moisure Resistance of Epoxy Resins

    NASA Technical Reports Server (NTRS)

    St. Clair, A. K.; St. Clair, T. L.; Stoakley, D. M.; Singh, J. J.; Sprinkle, D. R.

    1986-01-01

    Broad spectrum of thermosetting epoxy resins used on commercial and military aircraft, primarily as composite matrices and adhesives. In new technique, chromium-ion containing epoxy with improved resistance to moisture produced where chromium ions believed to prevent absorption of water molecules by coordinating themselves to hydroxyl groups on epoxy chain. Anticipated that improved epoxy formulation useful as composite matrix resin, adhesive, or casting resin for applications on commercial and advanced aircraft. Improvement made without sacrifice in mechanical properties of polymer.

  6. Further results on the stagnation point boundary layer with hydrogen injection.

    NASA Technical Reports Server (NTRS)

    Wu, P.; Libby, P. A.

    1972-01-01

    The results of an earlier paper on the behavior of the boundary layer at an axisymmetric stagnation with hydrogen injection into a hot external airstream are extended to span the entire range from essentially frozen to essentially equilibrium flow. This extension is made possible by the employment of finite difference methods; the accurate treatment of the boundary conditions at 'infinity,' the differencing technique employed and the formulation resulting in block tri-diagonal matrices are slight variants in the present work.

  7. A FAST POLYNOMIAL TRANSFORM PROGRAM WITH A MODULARIZED STRUCTURE

    NASA Technical Reports Server (NTRS)

    Truong, T. K.

    1994-01-01

    This program utilizes a fast polynomial transformation (FPT) algorithm applicable to two-dimensional mathematical convolutions. Two-dimensional convolution has many applications, particularly in image processing. Two-dimensional cyclic convolutions can be converted to a one-dimensional convolution in a polynomial ring. Traditional FPT methods decompose the one-dimensional cyclic polynomial into polynomial convolutions of different lengths. This program will decompose a cyclic polynomial into polynomial convolutions of the same length. Thus, only FPTs and Fast Fourier Transforms of the same length are required. This modular approach can save computational resources. To further enhance its appeal, the program is written in the transportable 'C' language. The steps in the algorithm are: 1) formulate the modulus reduction equations, 2) calculate the polynomial transforms, 3) multiply the transforms using a generalized fast Fourier transformation, 4) compute the inverse polynomial transforms, and 5) reconstruct the final matrices using the Chinese remainder theorem. Input to this program is comprised of the row and column dimensions and the initial two matrices. The matrices are printed out at all steps, ending with the final reconstruction. This program is written in 'C' for batch execution and has been implemented on the IBM PC series of computers under DOS with a central memory requirement of approximately 18K of 8 bit bytes. This program was developed in 1986.

  8. The multifacet graphically contracted function method. I. Formulation and implementation

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

    Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

    2014-08-14

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

  9. A computational study of the use of an optimization-based method for simulating large multibody systems.

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

    Petra, C.; Gavrea, B.; Anitescu, M.

    2009-01-01

    The present work aims at comparing the performance of several quadratic programming (QP) solvers for simulating large-scale frictional rigid-body systems. Traditional time-stepping schemes for simulation of multibody systems are formulated as linear complementarity problems (LCPs) with copositive matrices. Such LCPs are generally solved by means of Lemke-type algorithms and solvers such as the PATH solver proved to be robust. However, for large systems, the PATH solver or any other pivotal algorithm becomes unpractical from a computational point of view. The convex relaxation proposed by one of the authors allows the formulation of the integration step as a QPD, for whichmore » a wide variety of state-of-the-art solvers are available. In what follows we report the results obtained solving that subproblem when using the QP solvers MOSEK, OOQP, TRON, and BLMVM. OOQP is presented with both the symmetric indefinite solver MA27 and our Cholesky reformulation using the CHOLMOD package. We investigate computational performance and address the correctness of the results from a modeling point of view. We conclude that the OOQP solver, particularly with the CHOLMOD linear algebra solver, has predictable performance and memory use patterns and is far more competitive for these problems than are the other solvers.« less

  10. Hierarchical matrices implemented into the boundary integral approaches for gravity field modelling

    NASA Astrophysics Data System (ADS)

    Čunderlík, Róbert; Vipiana, Francesca

    2017-04-01

    Boundary integral approaches applied for gravity field modelling have been recently developed to solve the geodetic boundary value problems numerically, or to process satellite observations, e.g. from the GOCE satellite mission. In order to obtain numerical solutions of "cm-level" accuracy, such approaches require very refined level of the disretization or resolution. This leads to enormous memory requirements that need to be reduced. An implementation of the Hierarchical Matrices (H-matrices) can significantly reduce a numerical complexity of these approaches. A main idea of the H-matrices is based on an approximation of the entire system matrix that is split into a family of submatrices. Large submatrices are stored in factorized representation, while small submatrices are stored in standard representation. This allows reducing memory requirements significantly while improving the efficiency. The poster presents our preliminary results of implementations of the H-matrices into the existing boundary integral approaches based on the boundary element method or the method of fundamental solution.

  11. A viscoelastic higher-order beam finite element

    NASA Technical Reports Server (NTRS)

    Johnson, Arthur R.; Tressler, Alexander

    1996-01-01

    A viscoelastic internal variable constitutive theory is applied to a higher-order elastic beam theory and finite element formulation. The behavior of the viscous material in the beam is approximately modeled as a Maxwell solid. The finite element formulation requires additional sets of nodal variables for each relaxation time constant needed by the Maxwell solid. Recent developments in modeling viscoelastic material behavior with strain variables that are conjugate to the elastic strain measures are combined with advances in modeling through-the-thickness stresses and strains in thick beams. The result is a viscous thick-beam finite element that possesses superior characteristics for transient analysis since its nodal viscous forces are not linearly dependent an the nodal velocities, which is the case when damping matrices are used. Instead, the nodal viscous forces are directly dependent on the material's relaxation spectrum and the history of the nodal variables through a differential form of the constitutive law for a Maxwell solid. The thick beam quasistatic analysis is explored herein as a first step towards developing more complex viscoelastic models for thick plates and shells, and for dynamic analyses. The internal variable constitutive theory is derived directly from the Boltzmann superposition theorem. The mechanical strains and the conjugate internal strains are shown to be related through a system of first-order, ordinary differential equations. The total time-dependent stress is the superposition of its elastic and viscous components. Equations of motion for the solid are derived from the virtual work principle using the total time-dependent stress. Numerical examples for the problems of relaxation, creep, and cyclic creep are carried out for a beam made from an orthotropic Maxwell solid.

  12. An Efficient Implementation of the GMC Micromechanics Model for Multi-Phased Materials with Complex Microstructures

    NASA Technical Reports Server (NTRS)

    Pindera, Marek-Jerzy; Bednarcyk, Brett A.

    1997-01-01

    An efficient implementation of the generalized method of cells micromechanics model is presented that allows analysis of periodic unidirectional composites characterized by repeating unit cells containing thousands of subcells. The original formulation, given in terms of Hill's strain concentration matrices that relate average subcell strains to the macroscopic strains, is reformulated in terms of the interfacial subcell tractions as the basic unknowns. This is accomplished by expressing the displacement continuity equations in terms of the stresses and then imposing the traction continuity conditions directly. The result is a mixed formulation wherein the unknown interfacial subcell traction components are related to the macroscopic strain components. Because the stress field throughout the repeating unit cell is piece-wise uniform, the imposition of traction continuity conditions directly in the displacement continuity equations, expressed in terms of stresses, substantially reduces the number of unknown subcell traction (and stress) components, and thus the size of the system of equations that must be solved. Further reduction in the size of the system of continuity equations is obtained by separating the normal and shear traction equations in those instances where the individual subcells are, at most, orthotropic. The reformulated version facilitates detailed analysis of the impact of the fiber cross-section geometry and arrangement on the response of multi-phased unidirectional composites with and without evolving damage. Comparison of execution times obtained with the original and reformulated versions of the generalized method of cells demonstrates the new version's efficiency.

  13. Physically based modeling of rainfall-triggered landslides: a case study in the Luquillo Forest, Puerto Rico

    NASA Astrophysics Data System (ADS)

    Lepore, C.; Arnone, E.; Noto, L. V.; Sivandran, G.; Bras, R. L.

    2013-01-01

    This paper presents the development of a rainfall-triggered landslide module within a physically based spatially distributed ecohydrologic model. The model, Triangulated Irregular Networks Real-time Integrated Basin Simulator and VEGetation Generator for Interactive Evolution (tRIBS-VEGGIE), is capable of a sophisticated description of many hydrological processes; in particular, the soil moisture dynamics is resolved at a temporal and spatial resolution required to examine the triggering mechanisms of rainfall-induced landslides. The validity of the tRIBS-VEGGIE model to a tropical environment is shown with an evaluation of its performance against direct observations made within the Luquillo Forest (the study area). The newly developed landslide module builds upon the previous version of the tRIBS landslide component. This new module utilizes a numerical solution to the Richards equation to better represent the time evolution of soil moisture transport through the soil column. Moreover, the new landslide module utilizes an extended formulation of the Factor of Safety (FS) to correctly quantify the role of matric suction in slope stability and to account for unsaturated conditions in the evaluation of FS. The new modeling framework couples the capabilities of the detailed hydrologic model to describe soil moisture dynamics with the Infinite Slope model creating a powerful tool for the assessment of landslide risk.

  14. Effects of drug-carrier interactions on drug dissolution from binary and ternary matrices

    NASA Astrophysics Data System (ADS)

    Iqbal, Zafar

    For nearly five decades, pharmaceutical researchers have studied solid solutions of drugs in polymers as a potential means to enhance the dissolution of drugs with poor aqueous solubility. This has become of greater importance in recent years because most new potential drug compounds (new chemical entities) exhibit poor water solubility and present great challenges to scientists who must design dosage forms from which the drugs are bioavailable. During the formulation of a solid solution, the drug undergoes physical but not chemical alterations that increase its chemical potential in the formulation relative to that of the pure drug in its stable form. This increased chemical potential is responsible for enhanced dissolution as well as physical instabilities, such as amorphous to crystalline conversions and precipitation within the solid state. The chemical potential is derived from the Gibbs free energy, so it is reasonable to explain the behavior of solid solution systems in terms of thermodynamics. Solid solutions and dispersions have been extensively studied by pharmaceutical scientists, both with regard to manufacturing aspects and the proposal of various models in attempts to explain the physical bases for how these systems work. Recently, Dave and Bellantone proposed a model based on the thermodynamic changes resulting from the formulation of binary solid solutions of a drug in the polymer PVP. Their model introduced a modification of the F-H theory, which was used to quantify the drug-polymer interaction energies and calculate the entropy of mixing of the drug and polymer. In this work, the model of Dave and Bellantone was extended to include three-component systems, consisting of one drug mixed in a carrier matrix consisting of mixture of two polymers or a polymer and a surfactant. For this research, solid solutions were formed using various drug weight fractions in the formulations. The study focused on the following points: (1) Prepare solid solution formulations and perform appropriate physical characterizations. (2) Characterize the increase in drug dissolution rates resulting from solid solution formulations. (3) Relate the initial dissolution rates to the drug solubility. (4) Explain the solubility enhancement from solid solution dosage in terms of the drug polymer interactions using the extended thermodynamic model. Two poorly water soluble drugs, levonorgestrel (LEVO) and ethinyl estradiol (EE) were formulated in seven solid solution preparations comprised of four carrier systems. Materials used as carriers included various combinations of the polymers PVP K-30, Copovidone (COP), Poloxamer 182, and the surfactant TweenRTM 20. Additionally, ibuprofen (IBU) was used in three formulations consisting of various combinations of PVP K-30, Copovidone and TweenRTM 20. Formulations with various drug weight fractions (0.5%--30%) were prepared using the solvent evaporation technique. Each formulation was tested for dissolution using intrinsic dissolution apparatus (USP). The solid solutions were compressed into tablets into the sample die that maintained a constant surface area during the dissolution process. DSC, XRD and NIRS scans identified that the crystalline peaks of the drug disappeared with the addition of the polymer for all ratios of EE, indicating the formation of solid solutions (to within the limits of detection of the equipment). This was also observed for the LEVO dispersions up to 10% drug loading. At higher drug loading, solutions were formed but some small degree crystallinity was also present. For each experiment, the initial dissolution rates were obtained from the slope of the mass dissolved vs. time plots taken at early times, and volume normalized initial dissolution rates RV were calculated by dividing the initial dissolution rate by the volume fraction of the drug in the formulation. Comparison of the RV values for the various formulations with a reference RV (typically that of the pure drug or of the formulation with the highest polymer content) allowed calculation of relative volume normalized dissolution rates (RNV). The various RNV were used in the thermodynamic model for data analyses and to determine the interactions between the drug and carrier molecules. It was generally seen that RNV increased with decreased drug fraction, and was adequately modeled by the equations derived from the extended thermodynamic model. It was concluded that the model proposed for the binary and ternary systems successfully represented the mechanism of drug-polymer interaction and the energy changes taken place within the dispersion systems. The dissolution data analysis and subsequent understanding of physical modifications in the dispersion systems characterized by XRD, NIRS and DSC further substantiated the findings. The understanding of the fundamental physical might help scientists to predict the effects of mixing various drugs and polymers, and the effects of varying ratios.

  15. Beyond the functional matrix hypothesis: a network null model of human skull growth for the formation of bone articulations.

    PubMed

    Esteve-Altava, Borja; Rasskin-Gutman, Diego

    2014-09-01

    Craniofacial sutures and synchondroses form the boundaries among bones in the human skull, providing functional, developmental and evolutionary information. Bone articulations in the skull arise due to interactions between genetic regulatory mechanisms and epigenetic factors such as functional matrices (soft tissues and cranial cavities), which mediate bone growth. These matrices are largely acknowledged for their influence on shaping the bones of the skull; however, it is not fully understood to what extent functional matrices mediate the formation of bone articulations. Aiming to identify whether or not functional matrices are key developmental factors guiding the formation of bone articulations, we have built a network null model of the skull that simulates unconstrained bone growth. This null model predicts bone articulations that arise due to a process of bone growth that is uniform in rate, direction and timing. By comparing predicted articulations with the actual bone articulations of the human skull, we have identified which boundaries specifically need the presence of functional matrices for their formation. We show that functional matrices are necessary to connect facial bones, whereas an unconstrained bone growth is sufficient to connect non-facial bones. This finding challenges the role of the brain in the formation of boundaries between bones in the braincase without neglecting its effect on skull shape. Ultimately, our null model suggests where to look for modified developmental mechanisms promoting changes in bone growth patterns that could affect the development and evolution of the head skeleton. © 2014 Anatomical Society.

  16. Preparation and characterization of cross-linked excipient of coprocessed xanthan gum-acacia gum as matrix for sustained release tablets

    NASA Astrophysics Data System (ADS)

    Surini, Silvia; Wati, Dina Risma; Syahdi, Rezi Riadhi

    2018-02-01

    Sustained release tablet is solid dosage form which is designed to release drugs slowly in the body. This research was intended to prepare and characterize the cross-linked excipients of co-processed xanthan gum-acacia gum (CL-Co-XGGA) as matrices for sustained release tablets with gliclazide as a model drug. CL-Co-XGGA excipients were cross-linked materials of co-processed excipients of xanthan gum-acacia gum (Co-XGGA) using sodium trimetaphosphate. Co-processed excipients of xanthan gum-acacia gum were prepared in the ratio of each excipient 1:2, 1:1 and 2:1. Co-XGGA and CL-Co-XGGA excipients were characterized physically, chemically and functionally. Then, the sustained release (SR) tablets were formulated by wet granulation method using CL-Co-XGGA excipients as matrices. Also, the dissolution study of the gliclazide SR tablets was carried out in phosphate buffer medium pH 7,4 containing sodium lauryl sulphate 0.2% for 12 hours. The results showed that the degree of substitution (DS) of CL-Co-XGGA 1:2, 1:1, 2:1 excipients were respectively 0.067, 0.082 and 0.08. Besides that, the excipients gel strengths were 14.03, 17.27 and 20,70 gF, respectively. The cross-linked excipients had improved flow properties and swelling capability compared to the Co-XGGA excipients. The results of the gliclazide SR tablets evaluations showed that all tablets were passed all tablet requirements. Moreover, the gliclazide release from SR tablets F1 - F6 revealed the sustained release profile, which was following zero order kinetics (F1, F2, F3, F6) and Higuchi kinetics (F4 and F5). It could be concluded that the obtained CL-Co-XGGA excipients might be used as matrices for sustained release tablets and could retard drug release up to 8 until 32 hours.

  17. Grounding of space structures

    NASA Astrophysics Data System (ADS)

    Bosela, P. A.; Fertis, D. G.; Shaker, F. J.

    1992-09-01

    Space structures, such as the Space Station solar arrays, must be extremely light-weight, flexible structures. Accurate prediction of the natural frequencies and mode shapes is essential for determining the structural adequacy of components, and designing a controls system. The tension pre-load in the 'blanket' of photovoltaic solar collectors, and the free/free boundary conditions of a structure in space, causes serious reservations on the use of standard finite element techniques of solution. In particular, a phenomenon known as 'grounding', or false stiffening, of the stiffness matrix occurs during rigid body rotation. This paper examines the grounding phenomenon in detail. Numerous stiffness matrices developed by others are examined for rigid body rotation capability, and found lacking. A force imbalance inherent in the formulations examined is the likely cause of the grounding problem, suggesting the need for a directed force formulation.

  18. Frequency-domain method for discrete frequency noise prediction of rotors in arbitrary steady motion

    NASA Astrophysics Data System (ADS)

    Gennaretti, M.; Testa, C.; Bernardini, G.

    2012-12-01

    A novel frequency-domain formulation for the prediction of the tonal noise emitted by rotors in arbitrary steady motion is presented. It is derived from Farassat's 'Formulation 1A', that is a time-domain boundary integral representation for the solution of the Ffowcs-Williams and Hawkings equation, and represents noise as harmonic response to body kinematics and aerodynamic loads via frequency-response-function matrices. The proposed frequency-domain solver is applicable to rotor configurations for which sound pressure levels of discrete tones are much higher than those of broadband noise. The numerical investigation concerns the analysis of noise produced by an advancing helicopter rotor in blade-vortex interaction conditions, as well as the examination of pressure disturbances radiated by the interaction of a marine propeller with a non-uniform inflow.

  19. Linear sampling method applied to non destructive testing of an elastic waveguide: theory, numerics and experiments

    NASA Astrophysics Data System (ADS)

    Baronian, Vahan; Bourgeois, Laurent; Chapuis, Bastien; Recoquillay, Arnaud

    2018-07-01

    This paper presents an application of the linear sampling method to ultrasonic non destructive testing of an elastic waveguide. In particular, the NDT context implies that both the solicitations and the measurements are located on the surface of the waveguide and are given in the time domain. Our strategy consists in using a modal formulation of the linear sampling method at multiple frequencies, such modal formulation being justified theoretically in Bourgeois et al (2011 Inverse Problems 27 055001) for rigid obstacles and in Bourgeois and Lunéville (2013 Inverse Problems 29 025017) for cracks. Our strategy requires the inversion of some emission and reception matrices which deserve some special attention due to potential ill-conditioning. The feasibility of our method is proved with the help of artificial data as well as real data.

  20. Classifying Correlation Matrices into Relatively Homogeneous Subgroups: A Cluster Analytic Approach

    ERIC Educational Resources Information Center

    Cheung, Mike W.-L.; Chan, Wai

    2005-01-01

    Researchers are becoming interested in combining meta-analytic techniques and structural equation modeling to test theoretical models from a pool of studies. Most existing procedures are based on the assumption that all correlation matrices are homogeneous. Few studies have addressed what the next step should be when studies being analyzed are…

  1. Immobilization of alginate-encapsulated Bacillus thuringiensis var. israelensis containing different multivalent counterions for mosquito control.

    PubMed

    Prabakaran, G; Hoti, S L

    2008-08-01

    Immobilized techniques have been used widely for the controlled release formulation of mosquitoes. Among the microbial formulations, polymeric matrices play an important role in the controlled release of microbial pesticide at rates sufficiently effective to kill mosquitoes in the field. The advantage of these matrices is that they enhance the stability of both spores and toxin against pH, temperature variations, and UV irradiation. The disadvantage of using calcium alginate beads is that they are unstable upon contact with phosphate of potassium or sodium ions rich in the mosquito habitats. To overcome these problems, attempts were made to encapsulate Bacillus thuringiensis var. israelensis within alginate by using different multivalent counterions, namely, calcium chloride, zinc sulfate, copper sulfate, cobalt chloride, and ferric chloride, and the beads formed were tested for its mosquito larvicidal activity. Among all the beads tested, zinc alginate beads resulted in maximum larvicidal activity of 98% (+/-1.40 SE) against Culex quinquefasciatus IIIrd instar larvae and maximum spore count of 3.36 x 10(5) (+/-5291.50 SE) CFU/ml. Zinc alginate beads maintained their structure for up to 48 h when shaken vigorously on a rotary shaker at 180 rpm in the presence of 10 mM potassium phosphate buffer (pH 6.8 +/- 0.1). In conclusion, our results suggest that the use of zinc sulfate as counterions to encapsulate B. thuringiensis var. israelensis within alginate may be a potent mosquito control program in the habitats where more phosphate ions are present.

  2. The tangled bank of amino acids

    PubMed Central

    Pollock, David D.

    2016-01-01

    Abstract The use of amino acid substitution matrices to model protein evolution has yielded important insights into both the evolutionary process and the properties of specific protein families. In order to make these models tractable, standard substitution matrices represent the average results of the evolutionary process rather than the underlying molecular biophysics and population genetics, treating proteins as a set of independently evolving sites rather than as an integrated biomolecular entity. With advances in computing and the increasing availability of sequence data, we now have an opportunity to move beyond current substitution matrices to more interpretable mechanistic models with greater fidelity to the evolutionary process of mutation and selection and the holistic nature of the selective constraints. As part of this endeavour, we consider how epistatic interactions induce spatial and temporal rate heterogeneity, and demonstrate how these generally ignored factors can reconcile standard substitution rate matrices and the underlying biology, allowing us to better understand the meaning of these substitution rates. Using computational simulations of protein evolution, we can demonstrate the importance of both spatial and temporal heterogeneity in modelling protein evolution. PMID:27028523

  3. Incorporation of mRNA in Lamellar Lipid Matrices for Parenteral Administration.

    PubMed

    Ziller, Antje; Nogueira, Sara S; Hühn, Eva; Funari, Sergio S; Brezesinski, Gerald; Hartmann, Hermann; Sahin, Ugur; Haas, Heinrich; Langguth, Peter

    2018-02-05

    Insertion of high molecular weight messenger RNA (mRNA) into lyotropic lipid phases as model systems for controlled release formulations for the mRNA was investigated. Low fractions of 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP) were used as an anchor to load the mRNA into a lamellar lipid matrix. Dispersions of zwitterionic lipid in the aqueous phase in the presence of increasing fractions of mRNA and cationic lipid were prepared, and the molecular organization was investigated as a function of mRNA and cationic lipid fraction. Insertion of both cationic lipid and mRNA was clearly proven from the physicochemical characteristics. The d-spacing of the lipid bilayers, as determined by small-angle X-ray scattering (SAXS) measurements, responded sensitively to the amount of inserted DOTAP and mRNA. A concise model of the insertion of the mRNA in the lipid matrices was derived, indicating that the mRNA was accommodated in the aqueous slab between lipid bilayers. Depending on the DOTAP and mRNA fraction, a different excess of water was present in this slab. Results from further physicochemical characterization, including determination of free and bound mRNA, zeta potential, and calorimetry data, were in line with this assumption. The structure of these concentrated lipid/mRNA preparations was maintained upon dilution. The functionality of the inserted mRNA was proven by cell culture experiments using C2C12 murine myoblast cells with the luciferase-encoding mRNA. The described lipid phases as carriers for the mRNA may be applicable for different routes of local administration, where control of the release kinetics and the form of the released mRNA (bound or free) is required.

  4. Reflection matrices with U q [osp(2) (2|2m)] symmetry

    NASA Astrophysics Data System (ADS)

    Vieira, R. S.; Lima-Santos, A.

    2017-09-01

    We propose a classification of the reflection K-matrices (solutions of the boundary Yang-Baxter equation) for the Uq[osp(2)(2\\vert 2m)]=Uq[C(2)(m+1)] vertex-model. We found four families of solutions, namely, the complete solutions, in which no elements of the reflection K-matrix is null, the block-diagonal solutions, the X-shape solutions and the diagonal solutions. We highlight that these diagonal K-matrices also hold for the Uq[osp(2)(2n+2\\vert 2m)]=Uq[D(2)(n+1, m)] vertex-model.

  5. On Fluctuations of Eigenvalues of Random Band Matrices

    NASA Astrophysics Data System (ADS)

    Shcherbina, M.

    2015-10-01

    We consider the fluctuations of linear eigenvalue statistics of random band matrices whose entries have the form with i.i.d. possessing the th moment, where the function u has a finite support , so that M has only nonzero diagonals. The parameter b (called the bandwidth) is assumed to grow with n in a way such that . Without any additional assumptions on the growth of b we prove CLT for linear eigenvalue statistics for a rather wide class of test functions. Thus we improve and generalize the results of the previous papers (Jana et al., arXiv:1412.2445; Li et al. Random Matrices 2:04, 2013), where CLT was proven under the assumption . Moreover, we develop a method which allows to prove automatically the CLT for linear eigenvalue statistics of the smooth test functions for almost all classical models of random matrix theory: deformed Wigner and sample covariance matrices, sparse matrices, diluted random matrices, matrices with heavy tales etc.

  6. Effects of land use change on soil carbon cycling in the conterminous United States from 1900 to 2050

    Treesearch

    Peter B. Woodbury; Linda S. Heath; James E. Smith

    2007-01-01

    We developed matrices representing historical area transitions between forest and other land uses. We projected future transitions on the basis of historical transitions and econometric model results. These matrices were used to drive a model of changes in soil and forest floor carbon stocks. Our model predicted net carbon emission from 1900 until 1982, then...

  7. A scattering model for forested area

    NASA Technical Reports Server (NTRS)

    Karam, M. A.; Fung, A. K.

    1988-01-01

    A forested area is modeled as a volume of randomly oriented and distributed disc-shaped, or needle-shaped leaves shading a distribution of branches modeled as randomly oriented finite-length, dielectric cylinders above an irregular soil surface. Since the radii of branches have a wide range of sizes, the model only requires the length of a branch to be large compared with its radius which may be any size relative to the incident wavelength. In addition, the model also assumes the thickness of a disc-shaped leaf or the radius of a needle-shaped leaf is much smaller than the electromagnetic wavelength. The scattering phase matrices for disc, needle, and cylinder are developed in terms of the scattering amplitudes of the corresponding fields which are computed by the forward scattering theorem. These quantities along with the Kirchoff scattering model for a randomly rough surface are used in the standard radiative transfer formulation to compute the backscattering coefficient. Numerical illustrations for the backscattering coefficient are given as a function of the shading factor, incidence angle, leaf orientation distribution, branch orientation distribution, and the number density of leaves. Also illustrated are the properties of the extinction coefficient as a function of leaf and branch orientation distributions. Comparisons are made with measured backscattering coefficients from forested areas reported in the literature.

  8. SPH modeling and simulation of spherical particles interacting in a viscoelastic matrix

    NASA Astrophysics Data System (ADS)

    Vázquez-Quesada, A.; Ellero, M.

    2017-12-01

    In this work, we extend the three-dimensional Smoothed Particle Hydrodynamics (SPH) non-colloidal particulate model previously developed for Newtonian suspending media in Vázquez-Quesada and Ellero ["Rheology and microstructure of non-colloidal suspensions under shear studied with smoothed particle hydrodynamics," J. Non-Newtonian Fluid Mech. 233, 37-47 (2016)] to viscoelastic matrices. For the solvent medium, the coarse-grained SPH viscoelastic formulation proposed in Vázquez-Quesada, Ellero, and Español ["Smoothed particle hydrodynamic model for viscoelastic fluids with thermal fluctuations," Phys. Rev. E 79, 056707 (2009)] is adopted. The property of this particular set of equations is that they are entirely derived within the general equation for non-equilibrium reversible-irreversible coupling formalism and therefore enjoy automatically thermodynamic consistency. The viscoelastic model is derived through a physical specification of a conformation-tensor-dependent entropy function for the fluid particles. In the simple case of suspended Hookean dumbbells, this delivers a specific SPH discretization of the Oldroyd-B constitutive equation. We validate the suspended particle model by studying the dynamics of single and mutually interacting "noncolloidal" rigid spheres under shear flow and in the presence of confinement. Numerical results agree well with available numerical and experimental data. It is straightforward to extend the particulate model to Brownian conditions and to more complex viscoelastic solvents.

  9. The Use of Sparse Direct Solver in Vector Finite Element Modeling for Calculating Two Dimensional (2-D) Magnetotelluric Responses in Transverse Electric (TE) Mode

    NASA Astrophysics Data System (ADS)

    Yihaa Roodhiyah, Lisa’; Tjong, Tiffany; Nurhasan; Sutarno, D.

    2018-04-01

    The late research, linear matrices of vector finite element in two dimensional(2-D) magnetotelluric (MT) responses modeling was solved by non-sparse direct solver in TE mode. Nevertheless, there is some weakness which have to be improved especially accuracy in the low frequency (10-3 Hz-10-5 Hz) which is not achieved yet and high cost computation in dense mesh. In this work, the solver which is used is sparse direct solver instead of non-sparse direct solverto overcome the weaknesses of solving linear matrices of vector finite element metod using non-sparse direct solver. Sparse direct solver will be advantageous in solving linear matrices of vector finite element method because of the matrix properties which is symmetrical and sparse. The validation of sparse direct solver in solving linear matrices of vector finite element has been done for a homogen half-space model and vertical contact model by analytical solution. Thevalidation result of sparse direct solver in solving linear matrices of vector finite element shows that sparse direct solver is more stable than non-sparse direct solver in computing linear problem of vector finite element method especially in low frequency. In the end, the accuracy of 2D MT responses modelling in low frequency (10-3 Hz-10-5 Hz) has been reached out under the efficient allocation memory of array and less computational time consuming.

  10. Semisolid matrix filled capsules: an approach to improve dissolution stability of phenytoin sodium formulation.

    PubMed

    El Massik, M A; Abdallah, O Y; Galal, S; Daabis, N A

    2003-05-01

    Seven semisolid fill bases were selected for the formulation of 24 capsule formulations, each containing 100 mg of phenytoin sodium. The fill materials were selected based on the water absorption capacity of their mixtures with phenytoin sodium. The fill matrices included lipophilic bases (castor oil, soya oil, and Gelucire (G) 33/01), amphiphilic bases (G 44/14 and Suppocire BP), and water-soluble bases (PEG 4000 and PEG 6000). The drug:base ratio was 1:2. Excipients such as lecithin, docusate sodium, and poloxamer 188 were added to some formulations. The dissolution rate study indicated that formulations containing lipophilic and amphiphilic bases showed the best release profiles. These are F4 (castor oil-1% docusate sodium); F10 (castor oil-3% poloxamer 188); F14 (G33/01-10% lecithin); F17 (G33/01-1% docusate sodium), and F20 (Suppocire BP). Further, the dissolution stability of the five formulations above was assessed by an accelerated stability study at 30 degrees C and 75% RH using standard Epanutin capsules for comparison. The study included the test and standard capsules either packed in the container of marketed Epanutin capsules (packed) or removed from their outer pack (unpacked). Release data indicated superior release rates of castor oil based formulations (F4 and F10) relative to standard capsules in both the unpacked and packed forms. For instance, the extent of drug release at 30 min after 1 month was 91% for F4 and F10 and 20% for standard capsules. Drug release from packed capsules after 6 months storage was 88% for both formulations F4 and F10 and 35% for standard capsules. In conclusion, the pharmaceutical quality of phenytoin sodium capsules can be improved by using a semisolid lipophilic matrix filled in hard gelatin capsules.

  11. From deep TLS validation to ensembles of atomic models built from elemental motions

    DOE PAGES

    Urzhumtsev, Alexandre; Afonine, Pavel V.; Van Benschoten, Andrew H.; ...

    2015-07-28

    The translation–libration–screw model first introduced by Cruickshank, Schomaker and Trueblood describes the concerted motions of atomic groups. Using TLS models can improve the agreement between calculated and experimental diffraction data. Because the T, L and S matrices describe a combination of atomic vibrations and librations, TLS models can also potentially shed light on molecular mechanisms involving correlated motions. However, this use of TLS models in mechanistic studies is hampered by the difficulties in translating the results of refinement into molecular movement or a structural ensemble. To convert the matrices into a constituent molecular movement, the matrix elements must satisfy severalmore » conditions. Refining the T, L and S matrix elements as independent parameters without taking these conditions into account may result in matrices that do not represent concerted molecular movements. Here, a mathematical framework and the computational tools to analyze TLS matrices, resulting in either explicit decomposition into descriptions of the underlying motions or a report of broken conditions, are described. The description of valid underlying motions can then be output as a structural ensemble. All methods are implemented as part of the PHENIX project.« less

  12. Formulation development of gastroretentive tablets of lamivudine using the floating-bioadhesive potential of optimized polymer blends.

    PubMed

    Singh, Bhupinder; Garg, Babita; Chaturvedi, Subhash Chand; Arora, Sharry; Mandsaurwale, Rachana; Kapil, Rishi; Singh, Baljinder

    2012-05-01

    The current studies entail successful formulation of optimized gastroretentive tablets of lamivudine using the floating-bioadhesive potential of carbomers and cellulosic polymers, and their subsequent in-vitro and in-vivo evaluation in animals and humans. Effervescent floating-bioadhesive hydrophilic matrices were prepared and evaluated for in-vitro drug release, floatation and ex-vivo bioadhesive strength. The optimal composition of polymer blends was systematically chosen using central composite design and overlay plots. Pharmacokinetic studies were carried out in rabbits, and various levels of in-vitro/in-vivo correlation (IVIVC) were established. In-vivo gamma scintigraphic studies were performed in human volunteers using (99m) Tc to evaluate formulation retention in the gastric milieu. The optimized formulation exhibited excellent bioadhesive and floatational characteristics besides possessing adequate drug-release control and pharmacokinetic extension of plasma levels. The successful establishment of various levels of IVIVC substantiated the judicious choice of in-vitro dissolution media for simulating the in-vivo conditions. In-vivo gamma scintigraphic studies ratified the gastroretentive characteristics of the optimized formulation with a retention time of 5 h or more. Besides unravelling the polymer synergism, the study helped in developing an optimal once-a-day gastroretentive drug delivery system with improved bioavailability potential exhibiting excellent swelling, floating and bioadhesive characteristics. © 2012 The Authors. JPP © 2012 Royal Pharmaceutical Society.

  13. Hypersonic Vehicle Trajectory Optimization and Control

    NASA Technical Reports Server (NTRS)

    Balakrishnan, S. N.; Shen, J.; Grohs, J. R.

    1997-01-01

    Two classes of neural networks have been developed for the study of hypersonic vehicle trajectory optimization and control. The first one is called an 'adaptive critic'. The uniqueness and main features of this approach are that: (1) they need no external training; (2) they allow variability of initial conditions; and (3) they can serve as feedback control. This is used to solve a 'free final time' two-point boundary value problem that maximizes the mass at the rocket burn-out while satisfying the pre-specified burn-out conditions in velocity, flightpath angle, and altitude. The second neural network is a recurrent network. An interesting feature of this network formulation is that when its inputs are the coefficients of the dynamics and control matrices, the network outputs are the Kalman sequences (with a quadratic cost function); the same network is also used for identifying the coefficients of the dynamics and control matrices. Consequently, we can use it to control a system whose parameters are uncertain. Numerical results are presented which illustrate the potential of these methods.

  14. In vitro dissolution kinetic study of theophylline from hydrophilic and hydrophobic matrices.

    PubMed

    Maswadeh, Hamzah M; Semreen, Mohammad H; Abdulhalim, Abdulatif A

    2006-01-01

    Oral dosage forms containing 300 mg theophylline in matrix type tablets, were prepared by direct compression method using two kinds of matrices, glycerylbehenate (hydrophobic), and (hydroxypropyl)methyl cellulose (hydrophilic). The in vitro release kinetics of these formulations were studied at pH 6.8 using the USP dissolution apparatus with the paddle assemble. The kinetics of the dissolution process were studied by analyzing the dissolution data using four kinetic equations, the zero-order equation, the first-order equation, the Higuchi square root equation and the Hixson-Crowell cube root law. The analysis of the dissolution kinetic data for the theophylline preparations in this study shows that it follows the first order kinetics and the release process involves erosion / diffusion and an alteration in the surface area and diameter of the matrix system, as well as in the diffusion path length from the matrix drug load during the dissolution process. This relation is best described by the use of both the first-order equation and the Hixson-Crowell cube root law.

  15. Antimicrobial potential of macro and microalgae against pathogenic and spoilage microorganisms in food.

    PubMed

    Pina-Pérez, M C; Rivas, A; Martínez, A; Rodrigo, D

    2017-11-15

    Algae are a valuable and never-failing source of bioactive compounds. The increasing efforts to use ingredients that are as natural as possible in the formulation of innovative products has given rise to the introduction of macro and microalgae in food industry. To date, scarce information has been published about algae ingredients as antimicrobials in food. The antimicrobial potential of algae is highly dependent on: (i) type, brown algae being the most effective against foodborne bacteria; (ii) the solvent used in the extraction of bioactive compounds, ethanolic and methanolic extracts being highly effective against Gram-positive and Gram-negative bacteria; and (iii) the concentration of the extract. The present paper reviews the main antimicrobial potential of algal species and their bioactive compounds in reference and real food matrices. The validation of the algae antimicrobial potential in real food matrices is still a research niche, being meat and bakery products the most studied substrates. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. A Partitioning Algorithm for Block-Diagonal Matrices With Overlap

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

    Guy Antoine Atenekeng Kahou; Laura Grigori; Masha Sosonkina

    2008-02-02

    We present a graph partitioning algorithm that aims at partitioning a sparse matrix into a block-diagonal form, such that any two consecutive blocks overlap. We denote this form of the matrix as the overlapped block-diagonal matrix. The partitioned matrix is suitable for applying the explicit formulation of Multiplicative Schwarz preconditioner (EFMS) described in [3]. The graph partitioning algorithm partitions the graph of the input matrix into K partitions, such that every partition {Omega}{sub i} has at most two neighbors {Omega}{sub i-1} and {Omega}{sub i+1}. First, an ordering algorithm, such as the reverse Cuthill-McKee algorithm, that reduces the matrix profile ismore » performed. An initial overlapped block-diagonal partition is obtained from the profile of the matrix. An iterative strategy is then used to further refine the partitioning by allowing nodes to be transferred between neighboring partitions. Experiments are performed on matrices arising from real-world applications to show the feasibility and usefulness of this approach.« less

  17. Boundary reflection matrices for nonsimply laced affine Toda field theories

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

    Kim, J.D.

    The boundary reflection matrices for nonsimply laced affine Toda field theories defined on a half line with the Neumann boundary condition are investigated. The boundary reflection matrices for some pairs of the models are evaluated up to one loop order by perturbation theory. Then the exact boundary reflection matrices which are consistent with the one loop result are found under the assumption of {open_quote}{open_quote}duality{close_quote}{close_quote} and tested against algebraic consistency such as the boundary bootstrap equation and boundary crossing-unitarity relation. {copyright} {ital 1996 The American Physical Society.}

  18. Central Limit Theorems for Linear Statistics of Heavy Tailed Random Matrices

    NASA Astrophysics Data System (ADS)

    Benaych-Georges, Florent; Guionnet, Alice; Male, Camille

    2014-07-01

    We show central limit theorems (CLT) for the linear statistics of symmetric matrices with independent heavy tailed entries, including entries in the domain of attraction of α-stable laws and entries with moments exploding with the dimension, as in the adjacency matrices of Erdös-Rényi graphs. For the second model, we also prove a central limit theorem of the moments of its empirical eigenvalues distribution. The limit laws are Gaussian, but unlike the case of standard Wigner matrices, the normalization is the one of the classical CLT for independent random variables.

  19. Effects of matrix on plasma levels of EPA and DHA in dogs.

    PubMed

    Goffin, Kay; van Maris, Marc; Corbee, Ronald J

    2017-01-01

    EPA and DHA are often used in veterinary medicine due to their beneficial effects for several medical conditions such as osteoarthritis. EPA and DHA are administered to dogs through different matrices. The aim of the present study was to determine the effects on the plasma levels in dogs caused by various matrices for EPA and DHA administration. In this study, three different n -3 PUFA formulations were used: soft chew tablet (CCx); liquid fish oil (LFO); and enriched kibbles (EK). The formulations were administered single-dose and compared in a randomised, cross-over designed study with a 1-week wash-out period. Several variables were observed after the administration of these formulations in thirteen dogs: the NEFA plasma concentration, the AUC for 1 d (AUC0-24 h), and maximum plasma concentration for both EPA and DHA. All plasma fatty acid levels reached baseline levels within 72 h. CCx (median = 2·987) had a significantly lower AUC0-24 h for EPA compared with LFO (median = 5·647, P  = 0·043) and EK (median = 5·119, P  = 0·032) ( F 2,22  = 4·637, P  = 0·021). CCx (median = 2·471) AUC0-24 h for DHA was significantly lower compared with LFO (median = 4·837, Z  = -2·56, P  = 0·011) and EK (median = 4·413, Z  = -2·59, P  = 0·01). EPA and DHA plasma levels were affected by matrix, as with the CCx, the AUC0-24 h of EPA and DHA were both lower compared with LFO and EK. The effect of matrix on bioavailability is important for product development as well as for clinical trials studying effects of EPA and DHA.

  20. Normal order and extended Wick theorem for a multiconfiguration reference wave function

    NASA Astrophysics Data System (ADS)

    Kutzelnigg, Werner; Mukherjee, Debashis

    1997-07-01

    A generalization of normal ordering and of Wick's theorem with respect to an arbitrary reference function Φ as some generalized "physical vacuum" is formulated in a different (but essentially equivalent) way than that suggested previously by one of the present authors. Guiding principles are that normal order operators with respect to any reference state must be expressible as linear combinations of those with respect to the genuine vacuum, that the vacuum expectation value of a normal order operator must vanish (with respect to the vacuum to which it is in normal order), and that the well-known formalism for a single Slater determinant as physical vacuum must be contained as a special case. The derivation is largely based on the concepts of "Quantum Chemistry in Fock space," which means that particle-number-conserving operators (excitation operators) play a central role. Nevertheless, the contraction rules in the frame of a generalized Wick theorem are derived, that hold for non-particle-number-conserving operators as well. The contraction rules are formulated and illustrated in terms of diagrams. The contractions involve the "residual n-particle density matrices" λ, which are the irreducible (non-factorizable) parts of the conventional n-particle density matrices γ, in the sense of a cumulant expansion for the density. A spinfree formulation is presented as well. The expression of the Hamiltonian in normal order with respect to a multiconfiguration reference function leads to a natural definition of a generalized Fock operator. MC-SCF-theory is easily worked out in this context. The paper concludes with a discussion of the excited configurations and the first-order interacting space, that underlies a perturbative coupled cluster type correction to the MCSCF function for an arbitrary reference function, and with general implications of the new formalism, that is related to "internally contracted multireference configuration interaction." The present generalization of normal ordering is not only valid for arbitrary reference functions, but also if the reference state is an ensemble state.

  1. On the stiffness matrix of the intervertebral joint: application to total disk replacement.

    PubMed

    O'Reilly, Oliver M; Metzger, Melodie F; Buckley, Jenni M; Moody, David A; Lotz, Jeffrey C

    2009-08-01

    The traditional method of establishing the stiffness matrix associated with an intervertebral joint is valid only for infinitesimal rotations, whereas the rotations featured in spinal motion are often finite. In the present paper, a new formulation of this stiffness matrix is presented, which is valid for finite rotations. This formulation uses Euler angles to parametrize the rotation, an associated basis, which is known as the dual Euler basis, to describe the moments, and it enables a characterization of the nonconservative nature of the joint caused by energy loss in the poroviscoelastic disk and ligamentous support structure. As an application of the formulation, the stiffness matrix of a motion segment is experimentally determined for the case of an intact intervertebral disk and compared with the matrices associated with the same segment after the insertion of a total disk replacement system. In this manner, the matrix is used to quantify the changes in the intervertebral kinetics associated with total disk replacements. As a result, this paper presents the first such characterization of the kinetics of a total disk replacement.

  2. Killing bacteria within biofilms by sustained release of tetracycline from triple-layered electrospun micro/nanofibre matrices of polycaprolactone and poly(ethylene-co-vinyl acetate).

    PubMed

    Alhusein, Nour; De Bank, Paul A; Blagbrough, Ian S; Bolhuis, Albert

    2013-12-01

    We report the controlled release of the antibiotic tetracycline (tet) HCl from a triple-layered electrospun matrix consisting of a central layer of poly(ethylene-co-vinyl acetate (PEVA) sandwiched between outer layers of poly-ε-caprolactone (PCL). These micro/nanofibre layers with tet successfully encapsulated (essentially quantitatively at 3 and 5 % w/w) in each layer, efficiently inhibited the growth of a panel of bacteria, including clinical isolates, as shown by a modified Kirby-Bauer disc assay. Furthermore, they demonstrated high biological activity in increasingly complex models of biofilm formation (models that are moving closer to the situation in a wound) by stopping biofilm formation, by killing preformed biofilms and killing mature, dense biofilm colonies of Staphylococcus aureus MRSA252. Tet is clinically useful with potential applications in wound healing and especially in complicated skin and skin-structure infections; electrospinning provides good encapsulation efficiency of tet within PCL/PEVA/PCL polymers in micro/nanofibre layers which display sustained antibiotic release in formulations that are anti-biofilm.

  3. Nonlocal torque operators in ab initio theory of the Gilbert damping in random ferromagnetic alloys

    NASA Astrophysics Data System (ADS)

    Turek, I.; Kudrnovský, J.; Drchal, V.

    2015-12-01

    We present an ab initio theory of the Gilbert damping in substitutionally disordered ferromagnetic alloys. The theory rests on introduced nonlocal torques which replace traditional local torque operators in the well-known torque-correlation formula and which can be formulated within the atomic-sphere approximation. The formalism is sketched in a simple tight-binding model and worked out in detail in the relativistic tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA). The resulting nonlocal torques are represented by nonrandom, non-site-diagonal, and spin-independent matrices, which simplifies the configuration averaging. The CPA-vertex corrections play a crucial role for the internal consistency of the theory and for its exact equivalence to other first-principles approaches based on the random local torques. This equivalence is also illustrated by the calculated Gilbert damping parameters for binary NiFe and FeCo random alloys, for pure iron with a model atomic-level disorder, and for stoichiometric FePt alloys with a varying degree of L 10 atomic long-range order.

  4. Estimation of positive semidefinite correlation matrices by using convex quadratic semidefinite programming.

    PubMed

    Fushiki, Tadayoshi

    2009-07-01

    The correlation matrix is a fundamental statistic that is used in many fields. For example, GroupLens, a collaborative filtering system, uses the correlation between users for predictive purposes. Since the correlation is a natural similarity measure between users, the correlation matrix may be used in the Gram matrix in kernel methods. However, the estimated correlation matrix sometimes has a serious defect: although the correlation matrix is originally positive semidefinite, the estimated one may not be positive semidefinite when not all ratings are observed. To obtain a positive semidefinite correlation matrix, the nearest correlation matrix problem has recently been studied in the fields of numerical analysis and optimization. However, statistical properties are not explicitly used in such studies. To obtain a positive semidefinite correlation matrix, we assume the approximate model. By using the model, an estimate is obtained as the optimal point of an optimization problem formulated with information on the variances of the estimated correlation coefficients. The problem is solved by a convex quadratic semidefinite program. A penalized likelihood approach is also examined. The MovieLens data set is used to test our approach.

  5. A Role for M-Matrices in Modelling Population Growth

    ERIC Educational Resources Information Center

    James, Glyn; Rumchev, Ventsi

    2006-01-01

    Adopting a discrete-time cohort-type model to represent the dynamics of a population, the problem of achieving a desired total size of the population under a balanced growth (contraction) and the problem of maintaining the desired size, once achieved, are studied. Properties of positive-time systems and M-matrices are used to develop the results,…

  6. Evolutionary Games with Randomly Changing Payoff Matrices

    NASA Astrophysics Data System (ADS)

    Yakushkina, Tatiana; Saakian, David B.; Bratus, Alexander; Hu, Chin-Kun

    2015-06-01

    Evolutionary games are used in various fields stretching from economics to biology. In most of these games a constant payoff matrix is assumed, although some works also consider dynamic payoff matrices. In this article we assume a possibility of switching the system between two regimes with different sets of payoff matrices. Potentially such a model can qualitatively describe the development of bacterial or cancer cells with a mutator gene present. A finite population evolutionary game is studied. The model describes the simplest version of annealed disorder in the payoff matrix and is exactly solvable at the large population limit. We analyze the dynamics of the model, and derive the equations for both the maximum and the variance of the distribution using the Hamilton-Jacobi equation formalism.

  7. Stability of model-based event-triggered control systems: a separation property

    NASA Astrophysics Data System (ADS)

    Hao, Fei; Yu, Hao

    2017-04-01

    To save resource of communication, this paper investigates the model-based event-triggered control systems. Two main problems are considered in this paper. One is, for given plant and model, to design event conditions to guarantee the stability of the systems. The other is to consider the effect of the model matrices on the stability. The results show that the closed-loop systems can be asymptotically stabilised with any model matrices in compact sets if the parameters in the event conditions are within the designed ranges. Then, a separation property of model-based event-triggered control is proposed. Namely, the design of the controller gain and the event condition can be separated from the selection of the model matrices. Based on this property, an adaption mechanism is introduced to the model-based event-triggered control systems, which can further improve the sampling performance. Finally, a numerical example is given to show the efficiency and feasibility of the developed results.

  8. Amino Acid Properties Conserved in Molecular Evolution

    PubMed Central

    Rudnicki, Witold R.; Mroczek, Teresa; Cudek, Paweł

    2014-01-01

    That amino acid properties are responsible for the way protein molecules evolve is natural and is also reasonably well supported both by the structure of the genetic code and, to a large extent, by the experimental measures of the amino acid similarity. Nevertheless, there remains a significant gap between observed similarity matrices and their reconstructions from amino acid properties. Therefore, we introduce a simple theoretical model of amino acid similarity matrices, which allows splitting the matrix into two parts – one that depends only on mutabilities of amino acids and another that depends on pairwise similarities between them. Then the new synthetic amino acid properties are derived from the pairwise similarities and used to reconstruct similarity matrices covering a wide range of information entropies. Our model allows us to explain up to 94% of the variability in the BLOSUM family of the amino acids similarity matrices in terms of amino acid properties. The new properties derived from amino acid similarity matrices correlate highly with properties known to be important for molecular evolution such as hydrophobicity, size, shape and charge of amino acids. This result closes the gap in our understanding of the influence of amino acids on evolution at the molecular level. The methods were applied to the single family of similarity matrices used often in general sequence homology searches, but it is general and can be used also for more specific matrices. The new synthetic properties can be used in analyzes of protein sequences in various biological applications. PMID:24967708

  9. Multi-scale Multi-mechanism Toughening of Hydrogels

    NASA Astrophysics Data System (ADS)

    Zhao, Xuanhe

    Hydrogels are widely used as scaffolds for tissue engineering, vehicles for drug delivery, actuators for optics and fluidics, and model extracellular matrices for biological studies. The scope of hydrogel applications, however, is often severely limited by their mechanical properties. Inspired by the mechanics and hierarchical structures of tough biological tissues, we propose that a general principle for the design of tough hydrogels is to implement two mechanisms for dissipating mechanical energy and maintaining high elasticity in hydrogels. A particularly promising strategy for the design is to integrate multiple pairs of mechanisms across multiple length scales into a hydrogel. We develop a multiscale theoretical framework to quantitatively guide the design of tough hydrogels. On the network level, we have developed micro-physical models to characterize the evolution of polymer networks under deformation. On the continuum level, we have implemented constitutive laws formulated from the network-level models into a coupled cohesive-zone and Mullins-effect model to quantitatively predict crack propagation and fracture toughness of hydrogels. Guided by the design principle and quantitative model, we will demonstrate a set of new hydrogels, based on diverse types of polymers, yet can achieve extremely high toughness superior to their natural counterparts such as cartilages. The work was supported by NSF(No. CMMI- 1253495) and ONR (No. N00014-14-1-0528).

  10. Degree of Approximation by a General Cλ -Summability Method

    NASA Astrophysics Data System (ADS)

    Sonker, S.; Munjal, A.

    2018-03-01

    In the present study, two theorems explaining the degree of approximation of signals belonging to the class Lip(α, p, w) by a more general C λ -method (Summability method) have been formulated. Improved estimations have been observed in terms of λ(n) where (λ(n))‑α ≤ n ‑α for 0 < α ≤ 1 as compared to previous studies presented in terms of n. These estimations of infinite matrices are very much applicable in solid state physics which further motivates for an investigation of perturbations of matrix valued functions.

  11. Convergence rates for finite element problems with singularities. Part 1: Antiplane shear. [crack

    NASA Technical Reports Server (NTRS)

    Plunkett, R.

    1980-01-01

    The problem of a finite crack in an infinite medium under antiplane shear load is considered. It is shown that the nodal forces at the tip of the crack accurately gives the order of singularity, that n energy release methods can give the strength to better than 1 percent with element size 1/10 the crack length, and that nodal forces give a much better estimate of the stress field than do the elements themselves. The finite element formulation and the factoring of tridiagonal matrices are discussed.

  12. Unidirectional fibers and polyurethane elastomer matrix based composites synthesis and properties. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Chakar, A.

    1984-01-01

    A study of the properties and manufacturing techniques for long-fiber reinforced elastomeric composites for flexible and damping structural materials is presented. Attention is given to the usage of polyurethane in the matrix to obtain plastic elastomeric matrices and vitreous transition temperatures which vary from -80 C to 10 C, as well as assure good fiber adhesion. Various polyurethane formulations synthesized from diisocyanate prepolymers are examined in terms of mechanical and thermal properties. The principal reinforcing fiber selected is a unidirectional glass cloth.

  13. The Effect of Compliant Walls on Three-Dimensional Primary and Secondary Instabilities in Boundary Layer Transition.

    DTIC Science & Technology

    1991-04-01

    speeds resulted from assisted locomotion where the ships’ waves or the bow pressure field added to the thrust of the animals . It has been argued that...square coefficient matrices. The dominant solvent ( rigt solvent in this formulation) [S] gives M(S) = 0. The first step to compute this is defined as...and Surkina R.M. 1971a "Determining the oscillating mass param- eter of the skin cover of some marine animals ," Bionika, 5, pp. 94-98. Babenko V.V

  14. Broken flavor 2↔3 symmetry and phenomenological approach for universal quark and lepton mass matrices

    NASA Astrophysics Data System (ADS)

    Matsuda, Koichi; Nishiura, Hiroyuki

    2006-01-01

    A phenomenological approach for the universal mass matrix model with a broken flavor 2↔3 symmetry is explored by introducing the 2↔3 antisymmetric parts of mass matrices for quarks and charged leptons. We present explicit texture components of the mass matrices, which are consistent with all the neutrino oscillation experiments and quark mixing data. The mass matrices have a common structure for quarks and leptons, while the large lepton mixings and the small quark mixings are derived with no fine-tuning due to the difference of the phase factors. The model predicts a value 2.4×10-3 for the lepton mixing matrix element square |U13|2, and also ⟨mν⟩=(0.89-1.4)×10-4eV for the averaged neutrino mass which appears in the neutrinoless double beta decay.

  15. General integrable n-level, many-mode Janes-Cummings-Dicke models and classical r-matrices with spectral parameters

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

    Skrypnyk, T., E-mail: taras.skrypnyk@unimib.it, E-mail: tskrypnyk@imath.kiev.ua

    Using the technique of classical r-matrices and quantum Lax operators, we construct the most general form of the quantum integrable “n-level, many-mode” spin-boson Jaynes-Cummings-Dicke-type hamiltonians describing an interaction of a molecule of N n-level atoms with many modes of electromagnetic field and containing, in general, additional non-linear interaction terms. We explicitly obtain the corresponding quantum Lax operators and spin-boson analogs of the generalized Gaudin hamiltonians and prove their quantum commutativity. We investigate symmetries of the obtained models that are associated with the geometric symmetries of the classical r-matrices and construct the corresponding algebra of quantum integrals. We consider in detailmore » three classes of non-skew-symmetric classical r-matrices with spectral parameters and explicitly obtain the corresponding quantum Lax operators and Jaynes-Cummings-Dicke-type hamiltonians depending on the considered r-matrix.« less

  16. Computing an upper bound on contact stress with surrogate duality

    NASA Astrophysics Data System (ADS)

    Xuan, Zhaocheng; Papadopoulos, Panayiotis

    2016-07-01

    We present a method for computing an upper bound on the contact stress of elastic bodies. The continuum model of elastic bodies with contact is first modeled as a constrained optimization problem by using finite elements. An explicit formulation of the total contact force, a fraction function with the numerator as a linear function and the denominator as a quadratic convex function, is derived with only the normalized nodal contact forces as the constrained variables in a standard simplex. Then two bounds are obtained for the sum of the nodal contact forces. The first is an explicit formulation of matrices of the finite element model, derived by maximizing the fraction function under the constraint that the sum of the normalized nodal contact forces is one. The second bound is solved by first maximizing the fraction function subject to the standard simplex and then using Dinkelbach's algorithm for fractional programming to find the maximum—since the fraction function is pseudo concave in a neighborhood of the solution. These two bounds are solved with the problem dimensions being only the number of contact nodes or node pairs, which are much smaller than the dimension for the original problem, namely, the number of degrees of freedom. Next, a scheme for constructing an upper bound on the contact stress is proposed that uses the bounds on the sum of the nodal contact forces obtained on a fine finite element mesh and the nodal contact forces obtained on a coarse finite element mesh, which are problems that can be solved at a lower computational cost. Finally, the proposed method is verified through some examples concerning both frictionless and frictional contact to demonstrate the method's feasibility, efficiency, and robustness.

  17. Bioactive evaluation and application of different formulations of the natural colorant curcumin (E100) in a hydrophilic matrix (yogurt).

    PubMed

    Almeida, Heloísa H S; Barros, Lillian; Barreira, João C M; Calhelha, Ricardo C; Heleno, Sandrina A; Sayer, Claudia; Miranda, Cristiane Grella; Leimann, Fernanda Vitória; Barreiro, Maria Filomena; Ferreira, Isabel C F R

    2018-09-30

    Curcumin (E100) is a natural colorant that, besides conferring color, has bioactivity, serving as an alternative to some artificial colorants. As a hydrophobic colorant, its modification/compatibilization with the aqueous medium is required to improve stability and enable its application in hydrophilic food matrices. Herein, different formulations of curcumin (curcumin powder: PC, water-dispersible curcumin: DC: and nanoencapsulated curcumin: NC) were evaluated as yogurt colorants. PC showed the strongest bioactivity in all assays (EC 50 values: 63 ± 2 to 7.9 ± 0.1 μg.mL -1 ; GI 50 values: 48 ± 1 to 17 ± 1 μg.mL -1 and MIC values: 0.0625 to 0.5 mg.mL -1 ), which might indicate that DC and NC reduce the short-term accessibility to curcumin. The tested curcumin formulations produced yogurts with different appearance, specifically associated with their color parameters, besides presenting slight changes in nutritional composition and free sugars and fatty acids profiles. The water compatible formulations (DC and NC) showed advantages over hydrophobic (PC) having a wider industrial utilization. Copyright © 2018 Elsevier Ltd. All rights reserved.

  18. Retrieval of the non-depolarizing components of depolarizing Mueller matrices by using symmetry conditions and least squares minimization

    NASA Astrophysics Data System (ADS)

    Kuntman, Ertan; Canillas, Adolf; Arteaga, Oriol

    2017-11-01

    Experimental Mueller matrices contain certain amount of uncertainty in their elements and these uncertainties can create difficulties for decomposition methods based on analytic solutions. In an earlier paper [1], we proposed a decomposition method for depolarizing Mueller matrices by using certain symmetry conditions. However, because of the experimental error, that method creates over-determined systems with non-unique solutions. Here we propose to use least squares minimization approach in order to improve the accuracy of our results. In this method, we are taking into account the number of independent parameters of the corresponding symmetry and the rank constraints on the component matrices to decide on our fitting model. This approach is illustrated with experimental Mueller matrices that include material media with different Mueller symmetries.

  19. Angiogenic response induced by acellular femoral matrix in vivo

    PubMed Central

    Conconi, Maria Teresa; Nico, Beatrice; Rebuffat, Piera; Crivellato, Enrico; Parnigotto, Pier Paolo; Nussdorfer, Gastone G; Ribatti, Domenico

    2005-01-01

    We investigated the angiogenic response induced by acellular femoral matrices implanted in vivo on to the chick embryo chorioallantoic membrane (CAM), a useful model for such investigation. The results showed that acellular matrices were able to induce a strong angiogenic response, comparable with that of fibroblast growth factor-2 (FGF-2), a well-known angiogenic cytokine. The angiogenic response was further increased when exogenous FGF-2 or transforming growth factor beta-1 (TGF-β1) was added to the matrices and inhibited by the addition of anti-FGF-2 or anti-TGF-β1 antibodies. The response may be considered to be dependent on a direct angiogenic effect exerted by the matrices, and also in part by the presence of FGF-2 and TGF-β1 in the acellular matrices. PMID:16011546

  20. The tangled bank of amino acids.

    PubMed

    Goldstein, Richard A; Pollock, David D

    2016-07-01

    The use of amino acid substitution matrices to model protein evolution has yielded important insights into both the evolutionary process and the properties of specific protein families. In order to make these models tractable, standard substitution matrices represent the average results of the evolutionary process rather than the underlying molecular biophysics and population genetics, treating proteins as a set of independently evolving sites rather than as an integrated biomolecular entity. With advances in computing and the increasing availability of sequence data, we now have an opportunity to move beyond current substitution matrices to more interpretable mechanistic models with greater fidelity to the evolutionary process of mutation and selection and the holistic nature of the selective constraints. As part of this endeavour, we consider how epistatic interactions induce spatial and temporal rate heterogeneity, and demonstrate how these generally ignored factors can reconcile standard substitution rate matrices and the underlying biology, allowing us to better understand the meaning of these substitution rates. Using computational simulations of protein evolution, we can demonstrate the importance of both spatial and temporal heterogeneity in modelling protein evolution. © 2016 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

  1. Polymerase chain reaction assay targeting cytochrome b gene for the detection of dog meat adulteration in meatball formulation.

    PubMed

    Rahman, Md Mahfujur; Ali, Md Eaqub; Hamid, Sharifah Bee Abd; Mustafa, Shuhaimi; Hashim, Uda; Hanapi, Ummi Kalthum

    2014-08-01

    A polymerase chain reaction (PCR) assay for the assessment of dog meat adulteration in meatballs was developed. The assay selectively amplified a 100-bp region of canine mitochondrial cytochrome b gene from pure, raw, processed and mixed backgrounds. The specificity of the assay was tested against 11 animals and 3 plants species, commonly available for meatball formulation. The stability of the assay was proven under extensively autoclaving conditions that breakdown target DNA. A blind test from ready to eat chicken and beef meatballs showed that the assay can repeatedly detect 0.2% canine meat tissues under complex matrices using 0.04 ng of dog DNA extracted from differentially treated meatballs. The simplicity, stability and sensitivity of the assay suggested that it could be used in halal food industry for the authentication of canine derivatives in processed foods. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Optically stimulated luminescence of borate glasses containing magnesia, quicklime, lithium and potassium carbonates

    NASA Astrophysics Data System (ADS)

    Valença, J. V. B.; Silveira, I. S.; Silva, A. C. A.; Dantas, N. O.; Antonio, P. L.; Caldas, L. V. E.; d'Errico, F.; Souza, S. O.

    2017-11-01

    The OSL characteristics of three different borate glass matrices containing magnesia (LMB), quicklime (LCB) or potassium carbonate (LKB) were examined. Five different formulations for each composition were produced using a melt-quenching method and analyzed in terms of both dose-response curves and OSL shape decay. The samples were irradiated using a 90Sr/90Y beta source with doses up to 30 Gy. Dose-response curves were plotted using the initial OSL intensity as the chosen parameter. The OSL analysis showed that LKB glasses are the most sensitive to beta irradiation. For the most sensitive LKB composition, the irradiation process was also done using a 60Co gamma source in a dose range from 200 to 800 Gy. In all cases, no saturation was observed. A fitting process using a three-term exponential function was performed for the most sensitive formulations of each composition, which suggested a similar behavior in the OSL decay.

  3. FINAL REPORT (MILESTONE DATE 9/30/11) FOR SUBCONTRACT NO. B594099 NUMERICAL METHODS FOR LARGE-SCALE DATA FACTORIZATION

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

    De Sterck, H

    2011-10-18

    The following work has been performed by PI Hans De Sterck and graduate student Manda Winlaw for the required tasks 1-5 (as listed in the Statement of Work). Graduate student Manda Winlaw has visited LLNL January 31-March 11, 2011 and May 23-August 19, 2010, working with Van Henson and Mike O'Hara on non-negative matrix factorizations (NMF). She has investigated the dense subgraph clustering algorithm from 'Finding Dense Subgraphs for Sparse Undirected, Directed, and Bipartite Graphs' by Chen and Saad, testing this method on several term-document matrices and adapting it to cluster based on the rank of the subgraphs instead ofmore » the density. Manda Winlaw was awarded a first prize in the annual LLNL summer student poster competition for a poster on her NMF research. PI Hans De Sterck has developed a new adaptive algebraic multigrid algorithm for computing a few dominant or minimal singular triplets of sparse rectangular matrices. This work builds on adaptive algebraic multigrid methods that were further developed by the PI and collaborators (including Sanders and Henson) for Markov chains. The method also combines and extends existing multigrid algorithms for the symmetric eigenproblem. The PI has visited LLNL February 22-25, 2011, and has given a CASC seminar 'Algebraic Multigrid for the Singular Value Problem' on this work on February 23, 2011. During his visit, he has discussed this work and related topics with Van Henson, Geoffrey Sanders, Panayot Vassilevski, and others. He has tested the algorithm on PDE matrices and on a term-document matrix, with promising initial results. Manda Winlaw has also started to work, with O'Hara, on estimating probability distributions over undirected graph edges. The goal is to estimate probabilistic models from sets of undirected graph edges for the purpose of prediction, anomaly detection and support to supervised learning. Graduate student Manda Winlaw is writing a paper on the results obtained with O'Hara which will be submitted some time later in 2011 to a data mining conference. PI Hans De Sterck has developed a new optimization algorithm for canonical tensor approximation, formulating an extension of the nonlinear GMRES method to optimization problems. Numerical results for tensors with up to 8 modes show that this new method is efficient for sparse and dense tensors. He has written a paper on this which has been submitted to the SIAM Journal on Scientific Computing. PI Hans De Sterck has further developed his new optimization algorithm for canonical tensor approximation, formulating an extension in terms of steepest-descent preconditioning, which makes the approach generally applicable for nonlinear optimization. He has written a paper on this extension which has been submitted to Numerical Linear Algebra with Applications.« less

  4. Comparative pharmacokinetics of a new oral long-acting formulation of doxycycline hyclate: A canine clinical trial.

    PubMed

    Arciniegas Ruiz, Sara Melisa; Gutiérrez Olvera, Lilia; Bernad Bernad, María Josefa; Caballero Chacón, Sara Del Carmen; Vargas Estrada, Dinorah

    2015-12-01

    Doxycicline is used in dogs as treatment of several bacterial infections, mycoplasma, chlamydia and rickettsial diseases. However, it requires long treatments and several doses to be effective. The aim of this study was to determine the pharmacokinetics of four formulations of doxycycline hyclate, administered orally, with different proportions of excipients, acrylic acid-polymethacrylate-based matrices, to obtain longer therapeutic levels than conventional formulation. Forty-eight dogs were randomly assigned in five groups to receive a single oral dose (20mg/kg) of doxycycline hyclate without excipients (control) or a long-acting formulation containing doxycycline, acrylic acid polymer, and polymethacrylate in one of the following four proportions: DOX1(1:0.25:0.0035), DOX2(1:0.5:0.0075), DOX3 (1:1:0.015), or DOX4(1:2:0.0225). Temporal profiles of serum concentrations were obtained at several intervals after each treatment. Therapeutic concentrations were observed for 60h for DOX1 and DOX4, 48h for DOX2 and DOX3 and only 24h for DOX-C. None of the pharmacokinetic parameter differed significantly between DOX1 and DOX2 or between DOX3 and DOX4; however, the findings for the control treatment were significantly different compared to all four long-acting formulations. Results indicated that DOX1 had the most adequate pharmacokinetic-pharmacodynamic relationships for a time-dependent drug and had longer release times than did doxycycline alone. However, all four formulations can be effective depend on the minimum effective serum doxycycline concentration of the microorganism being treated. These results suggest that the use of any of these formulations can reduce the frequency of administration, the patient's stress, occurrence of adverse effects and the cost of treatment. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Tensor discriminant color space for face recognition.

    PubMed

    Wang, Su-Jing; Yang, Jian; Zhang, Na; Zhou, Chun-Guang

    2011-09-01

    Recent research efforts reveal that color may provide useful information for face recognition. For different visual tasks, the choice of a color space is generally different. How can a color space be sought for the specific face recognition problem? To address this problem, this paper represents a color image as a third-order tensor and presents the tensor discriminant color space (TDCS) model. The model can keep the underlying spatial structure of color images. With the definition of n-mode between-class scatter matrices and within-class scatter matrices, TDCS constructs an iterative procedure to obtain one color space transformation matrix and two discriminant projection matrices by maximizing the ratio of these two scatter matrices. The experiments are conducted on two color face databases, AR and Georgia Tech face databases, and the results show that both the performance and the efficiency of the proposed method are better than those of the state-of-the-art color image discriminant model, which involve one color space transformation matrix and one discriminant projection matrix, specifically in a complicated face database with various pose variations.

  6. Core-shell alginate-ghatti gum modified montmorillonite composite matrices for stomach-specific flurbiprofen delivery.

    PubMed

    Bera, Hriday; Ippagunta, Sohitha Reddy; Kumar, Sanoj; Vangala, Pavani

    2017-07-01

    Novel alginate-arabic gum (AG) gel membrane coated alginate-ghatti gum (GG) modified montmorillonite (MMT) composite matrices were developed for intragastric flurbiprofen (FLU) delivery by combining floating and mucoadhesion mechanisms. The clay-biopolymer composite matrices containing FLU as core were accomplished by ionic-gelation technique. Effects of polymer-blend (alginate:GG) ratios and crosslinker (CaCl 2 ) concentrations on drug entrapment efficiency (DEE, %) and cumulative drug release after 8h (Q 8h , %) were studied to optimize the core matrices by a 3 2 factorial design. The optimized matrices (F-O) demonstrated DEE of 91.69±1.43% and Q 8h of 74.96±1.56% with minimum errors in prediction. The alginate-AG gel membrane enveloped optimized matrices (F-O, coated) exhibited superior buoyancy, better ex vivo mucoadhesion and slower drug release rate. The drug release profile of FLU-loaded uncoated and coated optimized matrices was best fitted in Korsmeyer-Peppas model with anomalous diffusion and case-II transport driven mechanism, respectively. The uncoated and coated matrices containing FLU were also characterized for drug-excipients compatibility, drug crystallinity, thermal behaviour and surface morphology. Thus, the newly developed alginate-AG gel membrane coated alginate-GG modified MMT composite matrices are appropriate for intragastric delivery of FLU over an extended period of time with improved therapeutic benefits. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Time series, correlation matrices and random matrix models

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

    Vinayak; Seligman, Thomas H.

    2014-01-08

    In this set of five lectures the authors have presented techniques to analyze open classical and quantum systems using correlation matrices. For diverse reasons we shall see that random matrices play an important role to describe a null hypothesis or a minimum information hypothesis for the description of a quantum system or subsystem. In the former case various forms of correlation matrices of time series associated with the classical observables of some system. The fact that such series are necessarily finite, inevitably introduces noise and this finite time influence lead to a random or stochastic component in these time series.more » By consequence random correlation matrices have a random component, and corresponding ensembles are used. In the latter we use random matrices to describe high temperature environment or uncontrolled perturbations, ensembles of differing chaotic systems etc. The common theme of the lectures is thus the importance of random matrix theory in a wide range of fields in and around physics.« less

  8. Yang Baxter and anisotropic sigma and lambda models, cyclic RG and exact S-matrices

    NASA Astrophysics Data System (ADS)

    Appadu, Calan; Hollowood, Timothy J.; Price, Dafydd; Thompson, Daniel C.

    2017-09-01

    Integrable deformation of SU(2) sigma and lambda models are considered at the classical and quantum levels. These are the Yang-Baxter and XXZ-type anisotropic deformations. The XXZ type deformations are UV safe in one regime, while in another regime, like the Yang-Baxter deformations, they exhibit cyclic RG behaviour. The associ-ated affine quantum group symmetry, realized classically at the Poisson bracket level, has q a complex phase in the UV safe regime and q real in the cyclic RG regime, where q is an RG invariant. Based on the symmetries and RG flow we propose exact factorizable S-matrices to describe the scattering of states in the lambda models, from which the sigma models follow by taking a limit and non-abelian T-duality. In the cyclic RG regimes, the S-matrices are periodic functions of rapidity, at large rapidity, and in the Yang-Baxter case violate parity.

  9. Renormalization-group constraints on Yukawa alignment in multi-Higgs-doublet models

    NASA Astrophysics Data System (ADS)

    Ferreira, P. M.; Lavoura, L.; Silva, João P.

    2010-05-01

    We write down the renormalization-group equations for the Yukawa-coupling matrices in a general multi-Higgs-doublet model. We then assume that the matrices of the Yukawa couplings of the various Higgs doublets to right-handed fermions of fixed quantum numbers are all proportional to each other. We demonstrate that, in the case of the two-Higgs-doublet model, this proportionality is preserved by the renormalization-group running only in the cases of the standard type-I, II, X, and Y models. We furthermore show that a similar result holds even when there are more than two Higgs doublets: the Yukawa-coupling matrices to fermions of a given electric charge remain proportional under the renormalization-group running if and only if there is a basis for the Higgs doublets in which all the fermions of a given electric charge couple to only one Higgs doublet.

  10. Genomic predictions across Nordic Holstein and Nordic Red using the genomic best linear unbiased prediction model with different genomic relationship matrices.

    PubMed

    Zhou, L; Lund, M S; Wang, Y; Su, G

    2014-08-01

    This study investigated genomic predictions across Nordic Holstein and Nordic Red using various genomic relationship matrices. Different sources of information, such as consistencies of linkage disequilibrium (LD) phase and marker effects, were used to construct the genomic relationship matrices (G-matrices) across these two breeds. Single-trait genomic best linear unbiased prediction (GBLUP) model and two-trait GBLUP model were used for single-breed and two-breed genomic predictions. The data included 5215 Nordic Holstein bulls and 4361 Nordic Red bulls, which was composed of three populations: Danish Red, Swedish Red and Finnish Ayrshire. The bulls were genotyped with 50 000 SNP chip. Using the two-breed predictions with a joint Nordic Holstein and Nordic Red reference population, accuracies increased slightly for all traits in Nordic Red, but only for some traits in Nordic Holstein. Among the three subpopulations of Nordic Red, accuracies increased more for Danish Red than for Swedish Red and Finnish Ayrshire. This is because closer genetic relationships exist between Danish Red and Nordic Holstein. Among Danish Red, individuals with higher genomic relationship coefficients with Nordic Holstein showed more increased accuracies in the two-breed predictions. Weighting the two-breed G-matrices by LD phase consistencies, marker effects or both did not further improve accuracies of the two-breed predictions. © 2014 Blackwell Verlag GmbH.

  11. Characterizing the impact of model error in hydrologic time series recovery inverse problems

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

    Hansen, Scott K.; He, Jiachuan; Vesselinov, Velimir V.

    Hydrologic models are commonly over-smoothed relative to reality, owing to computational limitations and to the difficulty of obtaining accurate high-resolution information. When used in an inversion context, such models may introduce systematic biases which cannot be encapsulated by an unbiased “observation noise” term of the type assumed by standard regularization theory and typical Bayesian formulations. Despite its importance, model error is difficult to encapsulate systematically and is often neglected. In this paper, model error is considered for an important class of inverse problems that includes interpretation of hydraulic transients and contaminant source history inference: reconstruction of a time series thatmore » has been convolved against a transfer function (i.e., impulse response) that is only approximately known. Using established harmonic theory along with two results established here regarding triangular Toeplitz matrices, upper and lower error bounds are derived for the effect of systematic model error on time series recovery for both well-determined and over-determined inverse problems. It is seen that use of additional measurement locations does not improve expected performance in the face of model error. A Monte Carlo study of a realistic hydraulic reconstruction problem is presented, and the lower error bound is seen informative about expected behavior. Finally, a possible diagnostic criterion for blind transfer function characterization is also uncovered.« less

  12. Physically based modeling of rainfall-triggered landslides: a case study in the Luquillo forest, Puerto Rico

    NASA Astrophysics Data System (ADS)

    Lepore, C.; Arnone, E.; Noto, L. V.; Sivandran, G.; Bras, R. L.

    2013-09-01

    This paper presents the development of a rainfall-triggered landslide module within an existing physically based spatially distributed ecohydrologic model. The model, tRIBS-VEGGIE (Triangulated Irregular Networks-based Real-time Integrated Basin Simulator and Vegetation Generator for Interactive Evolution), is capable of a sophisticated description of many hydrological processes; in particular, the soil moisture dynamics are resolved at a temporal and spatial resolution required to examine the triggering mechanisms of rainfall-induced landslides. The validity of the tRIBS-VEGGIE model to a tropical environment is shown with an evaluation of its performance against direct observations made within the study area of Luquillo Forest. The newly developed landslide module builds upon the previous version of the tRIBS landslide component. This new module utilizes a numerical solution to the Richards' equation (present in tRIBS-VEGGIE but not in tRIBS), which better represents the time evolution of soil moisture transport through the soil column. Moreover, the new landslide module utilizes an extended formulation of the factor of safety (FS) to correctly quantify the role of matric suction in slope stability and to account for unsaturated conditions in the evaluation of FS. The new modeling framework couples the capabilities of the detailed hydrologic model to describe soil moisture dynamics with the infinite slope model, creating a powerful tool for the assessment of rainfall-triggered landslide risk.

  13. Characterizing the impact of model error in hydrologic time series recovery inverse problems

    DOE PAGES

    Hansen, Scott K.; He, Jiachuan; Vesselinov, Velimir V.

    2017-10-28

    Hydrologic models are commonly over-smoothed relative to reality, owing to computational limitations and to the difficulty of obtaining accurate high-resolution information. When used in an inversion context, such models may introduce systematic biases which cannot be encapsulated by an unbiased “observation noise” term of the type assumed by standard regularization theory and typical Bayesian formulations. Despite its importance, model error is difficult to encapsulate systematically and is often neglected. In this paper, model error is considered for an important class of inverse problems that includes interpretation of hydraulic transients and contaminant source history inference: reconstruction of a time series thatmore » has been convolved against a transfer function (i.e., impulse response) that is only approximately known. Using established harmonic theory along with two results established here regarding triangular Toeplitz matrices, upper and lower error bounds are derived for the effect of systematic model error on time series recovery for both well-determined and over-determined inverse problems. It is seen that use of additional measurement locations does not improve expected performance in the face of model error. A Monte Carlo study of a realistic hydraulic reconstruction problem is presented, and the lower error bound is seen informative about expected behavior. Finally, a possible diagnostic criterion for blind transfer function characterization is also uncovered.« less

  14. Determination of silver in personal care nanoproducts and effects on dermal exposure

    NASA Astrophysics Data System (ADS)

    Wasukan, Nootcharin; Srisung, Sujittra; Kulthong, Kornphimol; Boonrungsiman, Suwimon; Maniratanachote, Rawiwan

    2015-11-01

    Silver (Ag) is one of the widely used nanomaterials in cosmetics, personal care, and household products. This research aimed to investigate the Ag concentration contained in 20 commercial nanoproducts using a simple and reliable procedure. The exposure and adverse effects of a single topical application of Ag on the skin were also evaluated. Herein, we demonstrated that the technique of wet acid digestion, extraction and detection of Ag with graphite furnace absorption spectrometry were effective for any and all nanoproduct matrices. The Ag morphology was characterized by scanning and transmission electron microscopy equipped with energy-dispersive x-ray spectroscopy. Penetration of Ag was evaluated using a polyethersulfone (PES) membrane through a Franz cell and reconstructed human epidermis (RhE) tissue. A skin irritation test was performed on RhE, an acceptable in vitro model which was in compliance with OECD test guideline 439. The results showed that the initial Ag concentration in the tested nanoproducts ranged between 0.0058 and 94 µg/g. However, particulate Ag was only found in two products, both of a liquid formulation. Silver penetration through a PES membrane (0.12-53 % by weight) was weakly correlated with the initial Ag concentration in each sample, but more so to the product formulation. The liquid products demonstrated the highest percent of average Ag penetration, followed by the semi-solid and solid formulations, respectively. In contrast, neither any Ag diffusion from these products into the RhE tissue nor any irritation or toxicity was detected. This study suggests a screening method to evaluate the Ag level in products and their potential adverse effects on the skin that could be incorporated as a part of risk assessment for nanotechnology products.

  15. Element Library for Three-Dimensional Stress Analysis by the Integrated Force Method

    NASA Technical Reports Server (NTRS)

    Kaljevic, Igor; Patnaik, Surya N.; Hopkins, Dale A.

    1996-01-01

    The Integrated Force Method, a recently developed method for analyzing structures, is extended in this paper to three-dimensional structural analysis. First, a general formulation is developed to generate the stress interpolation matrix in terms of complete polynomials of the required order. The formulation is based on definitions of the stress tensor components in term of stress functions. The stress functions are written as complete polynomials and substituted into expressions for stress components. Then elimination of the dependent coefficients leaves the stress components expressed as complete polynomials whose coefficients are defined as generalized independent forces. Such derived components of the stress tensor identically satisfy homogenous Navier equations of equilibrium. The resulting element matrices are invariant with respect to coordinate transformation and are free of spurious zero-energy modes. The formulation provides a rational way to calculate the exact number of independent forces necessary to arrive at an approximation of the required order for complete polynomials. The influence of reducing the number of independent forces on the accuracy of the response is also analyzed. The stress fields derived are used to develop a comprehensive finite element library for three-dimensional structural analysis by the Integrated Force Method. Both tetrahedral- and hexahedral-shaped elements capable of modeling arbitrary geometric configurations are developed. A number of examples with known analytical solutions are solved by using the developments presented herein. The results are in good agreement with the analytical solutions. The responses obtained with the Integrated Force Method are also compared with those generated by the standard displacement method. In most cases, the performance of the Integrated Force Method is better overall.

  16. Estimation and prediction of origin-destination matrices for I-66.

    DOT National Transportation Integrated Search

    2011-09-01

    This project uses the Box-Jenkins time-series technique to model and forecast the traffic flows and then : uses the flow forecasts to predict the origin-destination matrices. First, a detailed analysis was conducted : to investigate the best data cor...

  17. Thirty Years of Nonparametric Item Response Theory.

    ERIC Educational Resources Information Center

    Molenaar, Ivo W.

    2001-01-01

    Discusses relationships between a mathematical measurement model and its real-world applications. Makes a distinction between large-scale data matrices commonly found in educational measurement and smaller matrices found in attitude and personality measurement. Also evaluates nonparametric methods for estimating item response functions and…

  18. Yangians in Integrable Field Theories, Spin Chains and Gauge-String Dualities

    NASA Astrophysics Data System (ADS)

    Spill, Fabian

    In the following paper, which is based on the author's PhD thesis submitted to Imperial College London, we explore the applicability of Yangian symmetry to various integrable models, in particular, in relation with S-matrices. One of the main themes in this work is that, after a careful study of the mathematics of the symmetry algebras one finds that in an integrable model, one can directly reconstruct S-matrices just from the algebra. It has been known for a long time that S-matrices in integrable models are fixed by symmetry. However, Lie algebra symmetry, the Yang-Baxter equation, crossing and unitarity, which constrain the S-matrix in integrable models, are often taken to be separate, independent properties of the S-matrix. Here, we construct scattering matrices purely from the Yangian, showing that the Yangian is the right algebraic object to unify all required symmetries of many integrable models. In particular, we reconstruct the S-matrix of the principal chiral field, and, up to a CDD factor, of other integrable field theories with 𝔰𝔲(n) symmetry. Furthermore, we study the AdS/CFT correspondence, which is also believed to be integrable in the planar limit. We reconstruct the S-matrices at weak and at strong coupling from the Yangian or its classical limit. We give a pedagogical introduction into the subject, presenting a unified perspective of Yangians and their applications in physics. This paper should hence be accessible to mathematicians who would like to explore the application of algebraic objects to physics as well as to physicists interested in a deeper understanding of the mathematical origin of physical quantities.

  19. Efficient Tensor Completion for Color Image and Video Recovery: Low-Rank Tensor Train.

    PubMed

    Bengua, Johann A; Phien, Ho N; Tuan, Hoang Duong; Do, Minh N

    2017-05-01

    This paper proposes a novel approach to tensor completion, which recovers missing entries of data represented by tensors. The approach is based on the tensor train (TT) rank, which is able to capture hidden information from tensors thanks to its definition from a well-balanced matricization scheme. Accordingly, new optimization formulations for tensor completion are proposed as well as two new algorithms for their solution. The first one called simple low-rank tensor completion via TT (SiLRTC-TT) is intimately related to minimizing a nuclear norm based on TT rank. The second one is from a multilinear matrix factorization model to approximate the TT rank of a tensor, and is called tensor completion by parallel matrix factorization via TT (TMac-TT). A tensor augmentation scheme of transforming a low-order tensor to higher orders is also proposed to enhance the effectiveness of SiLRTC-TT and TMac-TT. Simulation results for color image and video recovery show the clear advantage of our method over all other methods.

  20. On the geometry of the space-time and motion of the spinning bodies

    NASA Astrophysics Data System (ADS)

    Trenčevski, Kostadin

    2013-03-01

    In this paper an alternative theory about space-time is given. First some preliminaries about 3-dimensional time and the reasons for its introduction are presented. Alongside the 3-dimensional space (S) the 3-dimensional space of spatial rotations (SR) is considered independently from the 3-dimensional space. Then it is given a model of the universe, based on the Lie groups of real and complex orthogonal 3 × 3 matrices in this 3+3+3-dimensional space. Special attention is dedicated for introduction and study of the space S × SR, which appears to be isomorphic to SO(3,ℝ) × SO(3,ℝ) or S 3 × S 3. The influence of the gravitational acceleration to the spinning bodies is considered. Some important applications of these results about spinning bodies are given, which naturally lead to violation of Newton's third law in its classical formulation. The precession of the spinning axis is also considered.

  1. Newton-Euler Dynamic Equations of Motion for a Multi-body Spacecraft

    NASA Technical Reports Server (NTRS)

    Stoneking, Eric

    2007-01-01

    The Magnetospheric MultiScale (MMS) mission employs a formation of spinning spacecraft with several flexible appendages and thruster-based control. To understand the complex dynamic interaction of thruster actuation, appendage motion, and spin dynamics, each spacecraft is modeled as a tree of rigid bodies connected by spherical or gimballed joints. The method presented facilitates assembling by inspection the exact, nonlinear dynamic equations of motion for a multibody spacecraft suitable for solution by numerical integration. The building block equations are derived by applying Newton's and Euler's equations of motion to an "element" consisting of two bodies and one joint (spherical and gimballed joints are considered separately). Patterns in the "mass" and L'force" matrices guide assembly by inspection of a general N-body tree-topology system. Straightforward linear algebra operations are employed to eliminate extraneous constraint equations, resulting in a minimum-dimension system of equations to solve. This method thus combines a straightforward, easily-extendable, easily-mechanized formulation with an efficient computer implementation.

  2. Perceptual Optimization of DCT Color Quantization Matrices

    NASA Technical Reports Server (NTRS)

    Watson, Andrew B.; Statler, Irving C. (Technical Monitor)

    1994-01-01

    Many image compression schemes employ a block Discrete Cosine Transform (DCT) and uniform quantization. Acceptable rate/distortion performance depends upon proper design of the quantization matrix. In previous work, we showed how to use a model of the visibility of DCT basis functions to design quantization matrices for arbitrary display resolutions and color spaces. Subsequently, we showed how to optimize greyscale quantization matrices for individual images, for optimal rate/perceptual distortion performance. Here we describe extensions of this optimization algorithm to color images.

  3. Using molecular dynamics simulations and finite element method to study the mechanical properties of nanotube reinforced polyethylene and polyketone

    NASA Astrophysics Data System (ADS)

    Rouhi, S.; Alizadeh, Y.; Ansari, R.; Aryayi, M.

    2015-09-01

    Molecular dynamics simulations are used to study the mechanical behavior of single-walled carbon nanotube reinforced composites. Polyethylene and polyketone are selected as the polymer matrices. The effects of nanotube atomic structure and diameter on the mechanical properties of polymer matrix nanocomposites are investigated. It is shown that although adding nanotube to the polymer matrix raises the longitudinal elastic modulus significantly, the transverse tensile and shear moduli do not experience important change. As the previous finite element models could not be used for polymer matrices with the atom types other than carbon, molecular dynamics simulations are used to propose a finite element model which can be used for any polymer matrices. It is shown that this model can predict Young’s modulus with an acceptable accuracy.

  4. Nonrelativistic factorizable scattering theory and the Calogero-Sutherland model

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

    Ahn, C.; Lee, K.; Nam, S.

    1996-12-01

    We solve the SU({ital N})-invariant Yang-Baxter equations imposing only the unitarity condition. The usual {ital S} matrices should satisfy the crossing symmetry which originates from the {ital CPT} invariance of relativistic quantum-field theory. In this paper, we consider nonrelativistic SU({ital N})-invariant factorizable {ital S} matrices by relaxing the crossing symmetry and making the amplitudes for creating and annihilating new particles vanish and find that these {ital S} matrices are exactly the same as those of the multicomponent Calogero-Sutherland model, the quantum-mechanical model with the hyperbolic potential between particles and antiparticles. This particular solution is of interest since it cannot bemore » obtained as a nonrelativistic limit of any known relativistic solutions of the SU({ital N})-invariant Yang-Baxter equations. {copyright} {ital 1996 The American Physical Society.}« less

  5. Arrowheaded enhanced multivariance products representation for matrices (AEMPRM): Specifically focusing on infinite matrices and converting arrowheadedness to tridiagonality

    NASA Astrophysics Data System (ADS)

    Özdemir, Gizem; Demiralp, Metin

    2015-12-01

    In this work, Enhanced Multivariance Products Representation (EMPR) approach which is a Demiralp-and-his- group extension to the Sobol's High Dimensional Model Representation (HDMR) has been used as the basic tool. Their discrete form have also been developed and used in practice by Demiralp and his group in addition to some other authors for the decomposition of the arrays like vectors, matrices, or multiway arrays. This work specifically focuses on the decomposition of infinite matrices involving denumerable infinitely many rows and columns. To this end the target matrix is first decomposed to the sum of certain outer products and then each outer product is treated by Tridiagonal Matrix Enhanced Multivariance Products Representation (TMEMPR) which has been developed by Demiralp and his group. The result is a three-matrix- factor-product whose kernel (the middle factor) is an arrowheaded matrix while the pre and post factors are invertable matrices decomposed of the support vectors of TMEMPR. This new method is called as Arrowheaded Enhanced Multivariance Products Representation for Matrices. The general purpose is approximation of denumerably infinite matrices with the new method.

  6. Comparison Of Models Of Metal-Matrix Composites

    NASA Technical Reports Server (NTRS)

    Bigelow, C. A.; Johnson, W. S.; Naik, R. A.

    1994-01-01

    Report presents comparative review of four mathematical models of micromechanical behaviors of fiber/metal-matrix composite materials. Models differ in various details, all based on properties of fiber and matrix constituent materials, all involve square arrays of fibers continuous and parallel and all assume complete bonding between constituents. Computer programs implementing models used to predict properties and stress-vs.-strain behaviors of unidirectional- and cross-ply laminated composites made of boron fibers in aluminum matrices and silicon carbide fibers in titanium matrices. Stresses in fiber and matrix constituent materials also predicted.

  7. Model-independent analysis of quark mass matrices

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

    Choudhury, D.; Sarkar, U.

    1989-06-01

    In view of the apparent inconsistency of the Stech, Fritzsch-Stech, and Fritzsch-Shin models and only marginal agreement of the Fritzsch and modified Fritzsch-Stech models with recent data on /ital B//sub /ital d///sup 0/-/bar B/ /sub /ital d///sup 0/ mixing, we analyze the general quark mass matrices for three generations. Phenomenological considerations restrict the range of parameters involved to different sectors. In the present framework, the constraints corresponding to various /ital Ansa/$/ital uml/---/ital tze/ have been discussed.

  8. Determination of network origin-destination matrices using partial link traffic counts and virtual sensor information in an integrated corridor management framework.

    DOT National Transportation Integrated Search

    2014-04-01

    Trip origin-destination (O-D) demand matrices are critical components in transportation network : modeling, and provide essential information on trip distributions and corresponding spatiotemporal : traffic patterns in traffic zones in vehicular netw...

  9. A Fully Associative, Non-Linear Kinematic, Unified Viscoplastic Model for Titanium Based Matrices

    NASA Technical Reports Server (NTRS)

    Arnold, S. M.; Saleeb, A. F.; Castelli, M. G.

    1994-01-01

    Specific forms for both the Gibb's and complementary dissipation potentials are chosen such that a complete (i.e., fully associative) potential based multiaxial unified viscoplastic model is obtained. This model possesses one tensorial internal state variable that is associated with dislocation substructure, with an evolutionary law that has nonlinear kinematic hardening and both thermal and strain induced recovery mechanisms. A unique aspect of the present model is the inclusion of non-linear hardening through the use of a compliance operator, derived from the Gibb's potential, in the evolution law for the back stress. This non-linear tensorial operator is significant in that it allows both the flow and evolutionary laws to be fully associative (and therefore easily integrated) and greatly influences the multiaxial response under non-proportional loading paths. In addition to this nonlinear compliance operator, a new consistent, potential preserving, internal strain unloading criterion has been introduced to prevent abnormalities in the predicted stress-strain curves, which are present with nonlinear hardening formulations, during unloading and reversed loading of the external variables. Specification of an experimental program for the complete determination of the material functions and parameters for characterizing a metallic matrix, e.g., TIMETAL 21S, is given. The experiments utilized are tensile, creep, and step creep tests. Finally, a comparison of this model and a commonly used Bodner-Partom model is made on the basis of predictive accuracy and numerical efficiency.

  10. Statistical potential-based amino acid similarity matrices for aligning distantly related protein sequences.

    PubMed

    Tan, Yen Hock; Huang, He; Kihara, Daisuke

    2006-08-15

    Aligning distantly related protein sequences is a long-standing problem in bioinformatics, and a key for successful protein structure prediction. Its importance is increasing recently in the context of structural genomics projects because more and more experimentally solved structures are available as templates for protein structure modeling. Toward this end, recent structure prediction methods employ profile-profile alignments, and various ways of aligning two profiles have been developed. More fundamentally, a better amino acid similarity matrix can improve a profile itself; thereby resulting in more accurate profile-profile alignments. Here we have developed novel amino acid similarity matrices from knowledge-based amino acid contact potentials. Contact potentials are used because the contact propensity to the other amino acids would be one of the most conserved features of each position of a protein structure. The derived amino acid similarity matrices are tested on benchmark alignments at three different levels, namely, the family, the superfamily, and the fold level. Compared to BLOSUM45 and the other existing matrices, the contact potential-based matrices perform comparably in the family level alignments, but clearly outperform in the fold level alignments. The contact potential-based matrices perform even better when suboptimal alignments are considered. Comparing the matrices themselves with each other revealed that the contact potential-based matrices are very different from BLOSUM45 and the other matrices, indicating that they are located in a different basin in the amino acid similarity matrix space.

  11. Neural complexity: A graph theoretic interpretation

    NASA Astrophysics Data System (ADS)

    Barnett, L.; Buckley, C. L.; Bullock, S.

    2011-04-01

    One of the central challenges facing modern neuroscience is to explain the ability of the nervous system to coherently integrate information across distinct functional modules in the absence of a central executive. To this end, Tononi [Proc. Natl. Acad. Sci. USA.PNASA60027-842410.1073/pnas.91.11.5033 91, 5033 (1994)] proposed a measure of neural complexity that purports to capture this property based on mutual information between complementary subsets of a system. Neural complexity, so defined, is one of a family of information theoretic metrics developed to measure the balance between the segregation and integration of a system’s dynamics. One key question arising for such measures involves understanding how they are influenced by network topology. Sporns [Cereb. Cortex53OPAV1047-321110.1093/cercor/10.2.127 10, 127 (2000)] employed numerical models in order to determine the dependence of neural complexity on the topological features of a network. However, a complete picture has yet to be established. While De Lucia [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.71.016114 71, 016114 (2005)] made the first attempts at an analytical account of this relationship, their work utilized a formulation of neural complexity that, we argue, did not reflect the intuitions of the original work. In this paper we start by describing weighted connection matrices formed by applying a random continuous weight distribution to binary adjacency matrices. This allows us to derive an approximation for neural complexity in terms of the moments of the weight distribution and elementary graph motifs. In particular, we explicitly establish a dependency of neural complexity on cyclic graph motifs.

  12. High Performance Brittle Matrices and Brittle Matrix Composites. Book 2

    DTIC Science & Technology

    1989-12-31

    0.09 (A) Strain Tensile surface Fig. 7. Crack-tip opening as a function of strain for the sintered silicon carbide. s~ icon i~k,.Original ,, indent n...homogeneous elastic properties, Eqn. (A4) reduces to; u--u ,- (0 +,u)d/ R - (0 - uF) [exp (D) - 1]/4u eTR ( A5 ) where D = 9.Ld/R. The toughness for...factor due to the phase transformation is Kti=- 6(l-v) 4 " Re _dy ( A5 ). The critical-mean-stress criterion is formulated by setting the sum of (A 1) and

  13. On the analogues of Szegő's theorem for ergodic operators

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

    Kirsch, W; Pastur, L A

    2015-01-31

    Szegő's theorem on the asymptotic behaviour of the determinants of large Toeplitz matrices is generalized to the class of ergodic operators. The generalization is formulated in terms of a triple consisting of an ergodic operator and two functions, the symbol and the test function. It is shown that in the case of the one-dimensional discrete Schrödinger operator with random ergodic or quasiperiodic potential and various choices of the symbol and the test function this generalization leads to asymptotic formulae which have no analogues in the situation of Toeplitz operators. Bibliography: 22 titles.

  14. Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions.

    PubMed

    Brown, James; Carrington, Tucker

    2015-07-28

    Although phase-space localized Gaussians are themselves poor basis functions, they can be used to effectively contract a discrete variable representation basis [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. This works despite the fact that elements of the Hamiltonian and overlap matrices labelled by discarded Gaussians are not small. By formulating the matrix problem as a regular (i.e., not a generalized) matrix eigenvalue problem, we show that it is possible to use an iterative eigensolver to compute vibrational energy levels in the Gaussian basis.

  15. Thermoplastic polyurethanes for the manufacturing of highly dosed oral sustained release matrices via hot melt extrusion and injection molding.

    PubMed

    Claeys, Bart; Vervaeck, Anouk; Hillewaere, Xander K D; Possemiers, Sam; Hansen, Laurent; De Beer, Thomas; Remon, Jean Paul; Vervaet, Chris

    2015-02-01

    This study evaluated thermoplastic polyurethanes (TPUR) as matrix excipients for the production of oral solid dosage forms via hot melt extrusion (HME) in combination with injection molding (IM). We demonstrated that TPURs enable the production of solid dispersions - crystalline API in a crystalline carrier - at an extrusion temperature below the drug melting temperature (Tm) with a drug content up to 65% (wt.%). The release of metoprolol tartrate was controlled over 24h, whereas a complete release of diprophylline was only possible in combination with a drug release modifier: polyethylene glycol 4000 (PEG 4000) or Tween 80. No burst release nor a change in tablet size and geometry was detected for any of the formulations after dissolution testing. The total matrix porosity increased gradually upon drug release. Oral administration of TPUR did not affect the GI ecosystem (pH, bacterial count, short chain fatty acids), monitored via the Simulator of the Human Intestinal Microbial Ecosystem (SHIME). The high drug load (65 wt.%) in combination with (in vitro and in vivo) controlled release capacity of the formulations, is noteworthy in the field of formulations produced via HME/IM. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Use of anionic clays for photoprotection and sunscreen photostability: Hydrotalcites and phenylbenzimidazole sulfonic acid

    NASA Astrophysics Data System (ADS)

    Perioli, Luana; Ambrogi, Valeria; Rossi, Carlo; Latterini, Loredana; Nocchetti, Morena; Costantino, Umberto

    2006-05-01

    Layered double hydroxides of hydrotalcite (HTlc) type have many applications as matrices in pharmaceutical and cosmetic fields when intercalated with active species in anionic form. The aim of this work was to intercalate 2-phenyl-1H-benzimidazole-5-sulfonic acid (Eusolex 232) (EUS) as sunscreen molecule into hydrotalcites in order to obtain the sunscreen stabilization, the reduction of its photodegradation and the elimination of close contact between skin and filter. Hydrotalcites MgAl and ZnAl were used as hosts and the intercalation products obtained were characterized by TG, RX and DSC. They were also submitted to spectrophotometric assays in order to study the matrix influence on sunlight protection and on sunscreen photostability. These experiments showed that both MgAl and ZnAl HTlc intercalation products maintained the sunscreen properties and eusolex photodegradation was reduced. The in vitro EUS release from both formulations was almost negligible when compared with formulations containing free EUS. The EUS intercalation in HTlc and the respective formulations provided advantages in the maintenance of photoprotection efficacy, filter photostabilization and avoidance of a close contact between skin and filter, with consequent elimination of allergy problems and photocross reactions.

  17. Equations of motion of slung load systems with results for dual lift

    NASA Technical Reports Server (NTRS)

    Cicolani, Luigi S.; Kanning, Gerd

    1990-01-01

    General simulation equations are derived for the rigid body motion of slung load systems. These systems are viewed as consisting of several rigid bodies connected by straight-line cables or links. The suspension can be assumed to be elastic or inelastic, both cases being of interest in simulation and control studies. Equations for the general system are obtained via D'Alembert's principle and the introduction of generalized velocity coordinates. Three forms are obtained. Two of these generalize previous case-specific results for single helicopter systems with elastic or inelastic suspensions. The third is a new formulation for inelastic suspensions. It is derived from the elastic suspension equations by choosing the generalized coordinates so as to separate motion due to cable stretching from motion with invariant cable lengths. The result is computationally more efficient than the conventional formulation, and is readily integrated with the elastic suspension formulation and readily applied to the complex dual lift and multilift systems. Equations are derived for dual lift systems. Three proposed suspension arrangements can be integrated in a single equation set. The equations are given in terms of the natural vectors and matrices of three-dimensional rigid body mechanics and are tractable for both analysis and programming.

  18. A contribution with review to the description of mineralization of bone and other calcified tissues in vivo

    NASA Technical Reports Server (NTRS)

    Christoffersen, J.; Landis, W. J.

    1991-01-01

    This manuscript considers certain aspects of mineral deposition in bone and other vertebrate calcifying tissues in order to examine physical, chemical, and biological factors important in the mineralization process. The paper in a discussion format principally presents a new data and the formulation of concepts based on such data as well as a summary of background material as necessary review. Mineralization is found to occur at spatially independent sites throughout the organic extracellular tissue matrices. Matrix vesicles and collagen fibrils each may serve as independent nucleation centers for mineral with vesicle mineralization being local and collagen mineralization dominating the tissues as a whole. Collagen fibril organization is suggested to be such that hole zones are aligned in three dimensions, creating extensive channels for mineral accommodation. Nucleation occurs initially in hole zones and crystal growth leads to the development of plate-like mineral particles whose orientation, disposition, and sizes within fibrils are detailed. Effects of diffusion, crystallinity, and critical nucleation and growth events are described with respect to their influence on mineral deposition in bulk and local regions of tissue matrices.

  19. Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

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

    Thomas, Robert E.; Overy, Catherine; Opalka, Daniel

    Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, “replica” ensemble of walkers, whose population evolves in imaginary time independently from the first and which entails only modest additional computational overheads. The matrices obtained from this approach are shown to be representative of full configuration-interaction quality and hence provide a realistic opportunity to achieve high-quality results for a range of properties whose operators do not necessarily commute with the Hamiltonian. A density-matrix formulated quasi-variational energy estimator having been already proposed and investigated, themore » present work extends the scope of the theory to take in studies of analytic nuclear forces, molecular dipole moments, and polarisabilities, with extensive comparison to exact results where possible. These new results confirm the suitability of the sampling technique and, where sufficiently large basis sets are available, achieve close agreement with experimental values, expanding the scope of the method to new areas of investigation.« less

  20. Redistribution of Sr and rare earth elements in the matrices of CV3 carbonaceous chondrites during aqueous alteration in their parent body

    NASA Astrophysics Data System (ADS)

    Jogo, Kaori; Ito, Motoo; Nakamura, Tomoki; Kobayashi, Sachio; Lee, Jong Ik

    2018-03-01

    We measured the abundances of Sr and rare earth elements (REEs) in the matrices of five CV3 carbonaceous chondrites: Meteorite Hills (MET) 00430, MET 01070, La Paz ice field (LAP) 02206, Asuka (A) 881317 and Roberts Massif (RBT) 04143. In the MET 00430 and MET 01074 matrices, the Sr/CI and light REE (LREE, La-Nd)/CI ratios positively correlate with the amounts of Ca-rich secondary minerals, which formed during aqueous alteration in the CV3 chondrite parent body. In contrast, in the LAP 02206 and RBT 04143 matrices, although the Sr/CI ratios correlate with the amounts of Ca-rich secondary minerals, the LREE/CI ratios vary independently from the amounts of any secondary minerals. This suggests that the LREE/CI ratios in these matrices were produced prior to the parent body alteration, probably in the solar nebula. The LREE/CI ratios of the LAP 02206 and RBT 04143 matrices reveal the mixing process of matrix minerals prior to the accretion of the CV3 chondrite parent body. The mixing degrees of matrix minerals might be different between these two matrices. Because solid materials would be mixed over time according to the radial diffusion model of a turbulent disk, the matrix minerals consisting of LAP 02206 and RBT 04143 matrices might be incorporated into their parent body with different timing.

  1. Calibration and temperature correction of heat dissipation matric potential sensors

    USGS Publications Warehouse

    Flint, A.L.; Campbell, G.S.; Ellett, K.M.; Calissendorff, C.

    2002-01-01

    This paper describes how heat dissipation sensors, used to measure soil water matric potential, were analyzed to develop a normalized calibration equation and a temperature correction method. Inference of soil matric potential depends on a correlation between the variable thermal conductance of the sensor's porous ceramic and matric poten-tial. Although this correlation varies among sensors, we demonstrate a normalizing procedure that produces a single calibration relationship. Using sensors from three sources and different calibration methods, the normalized calibration resulted in a mean absolute error of 23% over a matric potential range of -0.01 to -35 MPa. Because the thermal conductivity of variably saturated porous media is temperature dependent, a temperature correction is required for application of heat dissipation sensors in field soils. A temperature correction procedure is outlined that reduces temperature dependent errors by 10 times, which reduces the matric potential measurement errors by more than 30%. The temperature dependence is well described by a thermal conductivity model that allows for the correction of measurements at any temperature to measurements at the calibration temperature.

  2. Introducing capillary electrophoresis with laser-induced fluorescence (CE-LIF) as a potential analysis and quantification tool for galactooligosaccharides extracted from complex food matrices.

    PubMed

    Albrecht, Simone; Schols, Henk A; Klarenbeek, Bert; Voragen, Alphons G J; Gruppen, Harry

    2010-03-10

    The analysis and quantification of (galacto)oligosaccharides from food matrices demands both a reproducible extraction method as well as a sensitive and accurate analytical method. Three typical matrices, namely, infant formula, fruit juice, and a maltodextrin-rich preparation, to which a commercial galactooligosaccharide mixture was added in a product concentration range from 1.25 to 30%, served as model substrates. Solid-phase extraction on graphitized carbon material upon enzymatic amyloglucosidase pretreatment enabled a good recovery and a selective purification of the different galactooligosaccharide structures from the exceeding amounts of particularly lactose and maltodextrins. With the implementation of capillary electrophoresis in combination with laser-induced fluorescence (CE-LIF) detection, a new possibility facilitating a sensitive qualitative and quantitative determination of the galactooligosaccharide contents in the different food matrices is outlined. Simultaneous monitoring and quantifying prebiotic oligosaccharides embedded in food matrices presents a promising and important step toward an efficient monitoring of individual oligosaccharides and is of interest for research areas dealing with small quantities of oligosaccharides embedded in complex matrices, e.g., body liquids.

  3. An understanding of modified release matrix tablets behavior during drug dissolution as the key for prediction of pharmaceutical product performance - case study of multimodal characterization of quetiapine fumarate tablets.

    PubMed

    Kulinowski, Piotr; Woyna-Orlewicz, Krzysztof; Rappen, Gerd-Martin; Haznar-Garbacz, Dorota; Węglarz, Władysław P; Dorożyński, Przemysław P

    2015-04-30

    Motivation for the study was the lack of dedicated and effective research and development (R&D) in vitro methods for oral, generic, modified release formulations. The purpose of the research was to assess multimodal in vitro methodology for further bioequivalence study risk minimization. Principal results of the study are as follows: (i) Pharmaceutically equivalent quetiapine fumarate extended release dosage form of Seroquel XR was developed using a quality by design/design of experiment (QbD/DoE) paradigm. (ii) The developed formulation was then compared with originator using X-ray microtomography, magnetic resonance imaging and texture analysis. Despite similarity in terms of compendial dissolution test, developed and original dosage forms differed in micro/meso structure and consequently in mechanical properties. (iii) These differences were found to be the key factors of failure of biorelevant dissolution test using the stress dissolution apparatus. Major conclusions are as follows: (i) Imaging methods allow to assess internal features of the hydrating extended release matrix and together with the stress dissolution test allow to rationalize the design of generic formulations at the in vitro level. (ii) Technological impact on formulation properties e.g., on pore formation in hydrating matrices cannot be overlooked when designing modified release dosage forms. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Polymeric Systems for Amorphous Δ9-Tetrahydrocannabinol Produced by a Hot-Melt Method. Part II: Effect of Oxidation Mechanisms and Chemical Interactions on Stability

    PubMed Central

    MUNJAL, MANISH; ELSOHLY, MAHMOUD A.; REPKA, MICHAEL A.

    2010-01-01

    The objectives of the present research investigations were to (i) elucidate the mechanism for the oxidative degradation of Δ9-tetrahydrocannabinol (THC) in polymer matrix systems prepared by a hot-melt fabrication procedure, and (ii) study the potential for controlling these mechanisms to reduce the degradation of THC in solid dosage formulations. Various factors considered and applied included drug-excipient compatibility, use of antioxidants, cross-linking in polymeric matrices, microenvironment pH, and moisture effect. Instability of THC in polyethylene oxide (PEO)-vitamin E succinate (VES) patches was determined to be due to chemical interaction between the drug and the vitamin as well as with the atmospheric oxygen. Of the different classes and mechanisms of antioxidants studied, quenching of oxygen by reducing agents, namely, ascorbic acid was the most effective in stabilizing THC in PEO-VES matrices. Only 5.8% of the drug degraded in the ascorbic acid-containing patch as compared to the control (31.6%) after 2 months of storage at 40°C. This coupled with the cross-linking extent and adjustment of the pH microenvironment, which seemed to have an impact on the THC degradation, might be effectively utilized towards stabilization of the drug in these polymeric matrices and other pharmaceutical dosage forms. These studies are relevant to the development of a stable transmucosal matrix system for the therapeutic delivery of amorphous THC. PMID:16886199

  5. On the Possibility of Ill-Conditioned Covariance Matrices in the First-Order Two-Step Estimator

    NASA Technical Reports Server (NTRS)

    Garrison, James L.; Axelrod, Penina; Kasdin, N. Jeremy

    1997-01-01

    The first-order two-step nonlinear estimator, when applied to a problem of orbital navigation, is found to occasionally produce first step covariance matrices with very low eigenvalues at certain trajectory points. This anomaly is the result of the linear approximation to the first step covariance propagation. The study of this anomaly begins with expressing the propagation of the first and second step covariance matrices in terms of a single matrix. This matrix is shown to have a rank equal to the difference between the number of first step states and the number of second step states. Furthermore, under some simplifying assumptions, it is found that the basis of the column space of this matrix remains fixed once the filter has removed the large initial state error. A test matrix containing the basis of this column space and the partial derivative matrix relating first and second step states is derived. This square test matrix, which has dimensions equal to the number of first step states, numerically drops rank at the same locations that the first step covariance does. It is formulated in terms of a set of constant vectors (the basis) and a matrix which can be computed from a reference trajectory (the partial derivative matrix). A simple example problem involving dynamics which are described by two states and a range measurement illustrate the cause of this anomaly and the application of the aforementioned numerical test in more detail.

  6. Single Layer Extended Release Two-in-One Guaifenesin Matrix Tablet: Formulation Method, Optimization, Release Kinetics Evaluation and Its Comparison with Mucinex® Using Box-Behnken Design.

    PubMed

    Morovati, Amirhosein; Ghaffari, Alireza; Erfani Jabarian, Lale; Mehramizi, Ali

    2017-01-01

    Guaifenesin, a highly water-soluble active (50 mg/mL), classified as a BCS class I drug. Owing to its poor flowability and compressibility, formulating tablets especially high-dose one, may be a challenge. Direct compression may not be feasible. Bilayer tablet technology applied to Mucinex®, endures challenges to deliver a robust formulation. To overcome challenges involved in bilayer-tablet manufacturing and powder compressibility, an optimized single layer tablet prepared by a binary mixture (Two-in-one), mimicking the dual drug release character of Mucinex ® was purposed. A 3-factor, 3-level Box-Behnken design was applied to optimize seven considered dependent variables (Release "%" in 1, 2, 4, 6, 8, 10 and 12 h) regarding different levels of independent one (X 1 : Cetyl alcohol, X 2 : Starch 1500 ® , X 3 : HPMC K100M amounts). Two granule portions were prepared using melt and wet granulations, blended together prior to compression. An optimum formulation was obtained (X 1 : 37.10, X 2 : 2, X 3 : 42.49 mg). Desirability function was 0.616. F2 and f1 between release profiles of Mucinex® and the optimum formulation were 74 and 3, respectively. An n-value of about 0.5 for both optimum and Mucinex® formulations showed diffusion (Fickian) control mechanism. However, HPMC K100M rise in 70 mg accompanied cetyl alcohol rise in 60 mg led to first order kinetic (n = 0.6962). The K values of 1.56 represented an identical burst drug releases. Cetyl alcohol and starch 1500 ® modulated guaifenesin release from HPMC K100M matrices, while due to their binding properties, improved its poor flowability and compressibility, too.

  7. Single Layer Extended Release Two-in-One Guaifenesin Matrix Tablet: Formulation Method, Optimization, Release Kinetics Evaluation and Its Comparison with Mucinex® Using Box-Behnken Design

    PubMed Central

    Morovati, Amirhosein; Ghaffari, Alireza; Erfani jabarian, Lale; Mehramizi, Ali

    2017-01-01

    Guaifenesin, a highly water-soluble active (50 mg/mL), classified as a BCS class I drug. Owing to its poor flowability and compressibility, formulating tablets especially high-dose one, may be a challenge. Direct compression may not be feasible. Bilayer tablet technology applied to Mucinex®, endures challenges to deliver a robust formulation. To overcome challenges involved in bilayer-tablet manufacturing and powder compressibility, an optimized single layer tablet prepared by a binary mixture (Two-in-one), mimicking the dual drug release character of Mucinex® was purposed. A 3-factor, 3-level Box-Behnken design was applied to optimize seven considered dependent variables (Release “%” in 1, 2, 4, 6, 8, 10 and 12 h) regarding different levels of independent one (X1: Cetyl alcohol, X2: Starch 1500®, X3: HPMC K100M amounts). Two granule portions were prepared using melt and wet granulations, blended together prior to compression. An optimum formulation was obtained (X1: 37.10, X2: 2, X3: 42.49 mg). Desirability function was 0.616. F2 and f1 between release profiles of Mucinex® and the optimum formulation were 74 and 3, respectively. An n-value of about 0.5 for both optimum and Mucinex® formulations showed diffusion (Fickian) control mechanism. However, HPMC K100M rise in 70 mg accompanied cetyl alcohol rise in 60 mg led to first order kinetic (n = 0.6962). The K values of 1.56 represented an identical burst drug releases. Cetyl alcohol and starch 1500® modulated guaifenesin release from HPMC K100M matrices, while due to their binding properties, improved its poor flowability and compressibility, too. PMID:29552045

  8. Fast Inference with Min-Sum Matrix Product.

    PubMed

    Felzenszwalb, Pedro F; McAuley, Julian J

    2011-12-01

    The MAP inference problem in many graphical models can be solved efficiently using a fast algorithm for computing min-sum products of n × n matrices. The class of models in question includes cyclic and skip-chain models that arise in many applications. Although the worst-case complexity of the min-sum product operation is not known to be much better than O(n(3)), an O(n(2.5)) expected time algorithm was recently given, subject to some constraints on the input matrices. In this paper, we give an algorithm that runs in O(n(2) log n) expected time, assuming that the entries in the input matrices are independent samples from a uniform distribution. We also show that two variants of our algorithm are quite fast for inputs that arise in several applications. This leads to significant performance gains over previous methods in applications within computer vision and natural language processing.

  9. Universality for 1d Random Band Matrices: Sigma-Model Approximation

    NASA Astrophysics Data System (ADS)

    Shcherbina, Mariya; Shcherbina, Tatyana

    2018-02-01

    The paper continues the development of the rigorous supersymmetric transfer matrix approach to the random band matrices started in (J Stat Phys 164:1233-1260, 2016; Commun Math Phys 351:1009-1044, 2017). We consider random Hermitian block band matrices consisting of W× W random Gaussian blocks (parametrized by j,k \\in Λ =[1,n]^d\\cap Z^d ) with a fixed entry's variance J_{jk}=δ _{j,k}W^{-1}+β Δ _{j,k}W^{-2} , β >0 in each block. Taking the limit W→ ∞ with fixed n and β , we derive the sigma-model approximation of the second correlation function similar to Efetov's one. Then, considering the limit β , n→ ∞, we prove that in the dimension d=1 the behaviour of the sigma-model approximation in the bulk of the spectrum, as β ≫ n , is determined by the classical Wigner-Dyson statistics.

  10. MIST - MINIMUM-STATE METHOD FOR RATIONAL APPROXIMATION OF UNSTEADY AERODYNAMIC FORCE COEFFICIENT MATRICES

    NASA Technical Reports Server (NTRS)

    Karpel, M.

    1994-01-01

    Various control analysis, design, and simulation techniques of aeroservoelastic systems require the equations of motion to be cast in a linear, time-invariant state-space form. In order to account for unsteady aerodynamics, rational function approximations must be obtained to represent them in the first order equations of the state-space formulation. A computer program, MIST, has been developed which determines minimum-state approximations of the coefficient matrices of the unsteady aerodynamic forces. The Minimum-State Method facilitates the design of lower-order control systems, analysis of control system performance, and near real-time simulation of aeroservoelastic phenomena such as the outboard-wing acceleration response to gust velocity. Engineers using this program will be able to calculate minimum-state rational approximations of the generalized unsteady aerodynamic forces. Using the Minimum-State formulation of the state-space equations, they will be able to obtain state-space models with good open-loop characteristics while reducing the number of aerodynamic equations by an order of magnitude more than traditional approaches. These low-order state-space mathematical models are good for design and simulation of aeroservoelastic systems. The computer program, MIST, accepts tabular values of the generalized aerodynamic forces over a set of reduced frequencies. It then determines approximations to these tabular data in the LaPlace domain using rational functions. MIST provides the capability to select the denominator coefficients in the rational approximations, to selectably constrain the approximations without increasing the problem size, and to determine and emphasize critical frequency ranges in determining the approximations. MIST has been written to allow two types data weighting options. The first weighting is a traditional normalization of the aerodynamic data to the maximum unit value of each aerodynamic coefficient. The second allows weighting the importance of different tabular values in determining the approximations based upon physical characteristics of the system. Specifically, the physical weighting capability is such that each tabulated aerodynamic coefficient, at each reduced frequency value, is weighted according to the effect of an incremental error of this coefficient on aeroelastic characteristics of the system. In both cases, the resulting approximations yield a relatively low number of aerodynamic lag states in the subsequent state-space model. MIST is written in ANSI FORTRAN 77 for DEC VAX series computers running VMS. It requires approximately 1Mb of RAM for execution. The standard distribution medium for this package is a 9-track 1600 BPI magnetic tape in DEC VAX FILES-11 format. It is also available on a TK50 tape cartridge in DEC VAX BACKUP format. MIST was developed in 1991. DEC VAX and VMS are trademarks of Digital Equipment Corporation. FORTRAN 77 is a registered trademark of Lahey Computer Systems, Inc.

  11. Theoretical and Numerical Investigations on Shallow Tunnelling in Unsaturated Soils

    NASA Astrophysics Data System (ADS)

    Soranzo, Enrico; Wu, Wei

    2013-04-01

    Excavation of shallow tunnels with the New Austrian Tunnelling Method (NATM) requires proper assessing of the tunnel face stability, to enable an open-face excavation, and the estimation of the correspondent surface settlements. Soils in a partially saturated condition exhibit a higher cohesion than in a fully saturated state, which can be taken into account when assessing the stability of the tunnel face. For the assessment of the face support pressure, different methods are used in engineering practice, varying from simple empirical and analytical formulations to advanced finite element analysis. Such procedures can be modified to account for the unsaturated state of soils. In this study a method is presented to incorporate the effect of partial saturation in the numerical analysis. The results are then compared with a simple analytical formulation derived from parametric studies. As to the numerical analysis, the variation of cohesion and of Young's modulus with saturation can be considered when the water table lies below the tunnel in a soil exhibiting a certain capillary rise, so that the tunnel is driven in a partially saturated layer. The linear elastic model with Mohr-Coulomb failure criterion can be extended to partially saturated states and calibrated with triaxial tests on unsaturated. In order to model both positive and negative pore water pressure (suction), Bishop's effective stress is incorporated into Mohr-Coulomb's failure criterion. The effective stress parameter in Bishop's formulation is related to the degree of saturation as suggested by Fredlund. If a linear suction distribution is assumed, the degree of saturation can be calculated from the Soil Water Characteristic Curve (SWCC). Expressions exist that relate the Young's modulus of unsaturated soils to the net mean stress and the matric suction. The results of the numerical computation can be compared to Vermeer & Ruse's closed-form formula that expresses the limit support pressure of the tunnel face. The expression is derived from parametric studies and predicts stability of the tunnel face when negative values are returned, suggesting that open-face tunnelling can be performed. The formula can be modified to account for the variation of cohesion along the tunnel face. The results obtained from both the numerical analysis and the analytical formulation are well in agreement and show that the stability of the tunnel face can greatly benefit from the enhanced cohesion of partially saturated soils.

  12. Long-term modeling of glass waste in portland cement- and clay-based matrices

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

    Stockman, H.W.; Nagy, K.L.; Morris, C.E.

    A set of ``templates`` was developed for modeling waste glass interactions with cement-based and clay-based matrices. The templates consist of a modified thermodynamic database, and input files for the EQ3/6 reaction path code, containing embedded rate models and compositions for waste glass, cement, and several pozzolanic materials. Significant modifications were made in the thermodynamic data for Th, Pb, Ra, Ba, cement phases, and aqueous silica species. It was found that the cement-containing matrices could increase glass corrosion rates by several orders of magnitude (over matrixless or clay matrix systems), but they also offered the lowest overall solubility for Pb, Ra,more » Th and U. Addition of pozzolans to cement decreased calculated glass corrosion rates by up to a factor of 30. It is shown that with current modeling capabilities, the ``affinity effect`` cannot be trusted to passivate glass if nuclei are available for precipitation of secondary phases that reduce silica activity.« less

  13. Comparison between a model-based and a conventional pyramid sensor reconstructor.

    PubMed

    Korkiakoski, Visa; Vérinaud, Christophe; Le Louarn, Miska; Conan, Rodolphe

    2007-08-20

    A model of a non-modulated pyramid wavefront sensor (P-WFS) based on Fourier optics has been presented. Linearizations of the model represented as Jacobian matrices are used to improve the P-WFS phase estimates. It has been shown in simulations that a linear approximation of the P-WFS is sufficient in closed-loop adaptive optics. Also a method to compute model-based synthetic P-WFS command matrices is shown, and its performance is compared to the conventional calibration. It was observed that in poor visibility the new calibration is better than the conventional.

  14. Matrix completion by deep matrix factorization.

    PubMed

    Fan, Jicong; Cheng, Jieyu

    2018-02-01

    Conventional methods of matrix completion are linear methods that are not effective in handling data of nonlinear structures. Recently a few researchers attempted to incorporate nonlinear techniques into matrix completion but there still exists considerable limitations. In this paper, a novel method called deep matrix factorization (DMF) is proposed for nonlinear matrix completion. Different from conventional matrix completion methods that are based on linear latent variable models, DMF is on the basis of a nonlinear latent variable model. DMF is formulated as a deep-structure neural network, in which the inputs are the low-dimensional unknown latent variables and the outputs are the partially observed variables. In DMF, the inputs and the parameters of the multilayer neural network are simultaneously optimized to minimize the reconstruction errors for the observed entries. Then the missing entries can be readily recovered by propagating the latent variables to the output layer. DMF is compared with state-of-the-art methods of linear and nonlinear matrix completion in the tasks of toy matrix completion, image inpainting and collaborative filtering. The experimental results verify that DMF is able to provide higher matrix completion accuracy than existing methods do and DMF is applicable to large matrices. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. QUADRO: A SUPERVISED DIMENSION REDUCTION METHOD VIA RAYLEIGH QUOTIENT OPTIMIZATION.

    PubMed

    Fan, Jianqing; Ke, Zheng Tracy; Liu, Han; Xia, Lucy

    We propose a novel Rayleigh quotient based sparse quadratic dimension reduction method-named QUADRO (Quadratic Dimension Reduction via Rayleigh Optimization)-for analyzing high-dimensional data. Unlike in the linear setting where Rayleigh quotient optimization coincides with classification, these two problems are very different under nonlinear settings. In this paper, we clarify this difference and show that Rayleigh quotient optimization may be of independent scientific interests. One major challenge of Rayleigh quotient optimization is that the variance of quadratic statistics involves all fourth cross-moments of predictors, which are infeasible to compute for high-dimensional applications and may accumulate too many stochastic errors. This issue is resolved by considering a family of elliptical models. Moreover, for heavy-tail distributions, robust estimates of mean vectors and covariance matrices are employed to guarantee uniform convergence in estimating non-polynomially many parameters, even though only the fourth moments are assumed. Methodologically, QUADRO is based on elliptical models which allow us to formulate the Rayleigh quotient maximization as a convex optimization problem. Computationally, we propose an efficient linearized augmented Lagrangian method to solve the constrained optimization problem. Theoretically, we provide explicit rates of convergence in terms of Rayleigh quotient under both Gaussian and general elliptical models. Thorough numerical results on both synthetic and real datasets are also provided to back up our theoretical results.

  16. Pharmacokinetics of a slow-release formulation of soybean isoflavones in healthy postmenopausal women.

    PubMed

    Setchell, Kenneth D R; Brzezinski, Amnon; Brown, Nadine M; Desai, Pankaj B; Melhem, Murad; Meredith, Trevor; Zimmer-Nechimias, Linda; Wolfe, Brian; Cohen, Yoram; Blatt, Yoav

    2005-03-23

    Pharmacokinetic studies of soybean isoflavones have shown that following oral ingestion, the two major isoflavones, daidzin and genistin, are hydrolyzed in the intestine, rapidly absorbed into the peripheral circulation, and eliminated from the body with a terminal half-life of 7-8 h. These characteristics make maintenance of steady-state plasma isoflavone concentrations difficult to attain unless there is repeated daily ingestion of foods or supplements containing isoflavones. In an attempt to sustain more constant plasma isoflavone concentrations, a new slow-release formulation of a soybean isoflavone extract was prepared by microencapsulation with a mixture of hydroxypropylcellulose and ethylcellulose to alter its dissolution characteristics. In vitro experiments confirmed slow aqueous dissolution of isoflavones from this formulation when compared with the conventional isoflavone extract. The pharmacokinetics of this slow-release isoflavone extract was studied in 10 healthy postmenopausal women after oral administration of a single capsule containing the equivalent of 22.3 mg of genistein and 7.47 mg of daidzein expressed as aglycons. A comparison of the key pharmacokinetic parameters obtained in this study with those established in extensive studies performed previously in this laboratory indicated that the mean residence time of genistein and daidzein increased 2-fold with microencapsulation. These findings are indicative of a decreased rate of absorption, consistent with the observed slow in vitro dissolution rate. These findings show that it is feasible to employ polymer matrices that slow the aqueous dissolution for preparing sustained-release formulations of soy isoflavones. Further studies to optimize such formulations are warranted.

  17. Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

    NASA Technical Reports Server (NTRS)

    Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

    2010-01-01

    Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

  18. Preparation of theophylline-hydroxypropylmethylcellulose matrices using supercritical antisolvent precipitation: a preliminary study.

    PubMed

    Moneghini, M; Perissutti, B; Kikic, I; Grassi, M; Cortesi, A; Princivalle, F

    2006-01-01

    Several controlled release systems of drugs have been elaborated using a supercritical fluid process. Indeed, recent techniques using a supercritical fluid as a solvent or as an antisolvent are considered to be useful alternatives to produce fine powders. In this preliminary study, the effect of Supercritical Anti Solvent process (SAS) on the release of theophylline from matrices manufactured with hydroxypropylmethylcellulose (HPMC) was investigated. Two grades of HPMC (HPMC E5 and K100) as carriers were considered in order to prepare a sustained delivery system for theophylline which was used as a model drug. The characterization of the drug before and after SAS treatment, and the coprecipitates with carriers, was performed by X-ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC). The dissolution rate of theophylline, theophylline-coprecipitates, and matricial tablets prepared with coprecipitates were determined. The physical characterizations revealed a substantial correspondence of the drug solid state before and after supercritical fluid treatment while drug-polymer interactions in the SAS-coprecipitates were attested. The dissolution studies of the matrices prepared compressing the coprecipitated systems showed that the matrices based on HPMC K100 were able to promote a sustained release of the drug. Further, this advantageous dissolution performance was found to be substantially independent of the pH of the medium. The comparison with the matrices prepared with untreated substances demonstrated that matrices obtained with SAS technique can provide a slower theophylline release rate. A new mathematical model describing the in vitro dissolution kinetics was proposed and successfully tested on these systems.

  19. A comment on Baxter condition for commutativity of transfer matrices

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

    Gutkin, E.

    1986-07-01

    Let T..nu.. and T'..nu.. be the transfer matrices of two vertex models corresponding to two sets of Boltzmann weights. The Baxter condition on Boltzmann weights was known to be sufficient for commutativity of T..nu.. and T'..nu.. for all ..nu... We show that generically it is also necessary.

  20. Acceleration of boundary element method for linear elasticity

    NASA Astrophysics Data System (ADS)

    Zapletal, Jan; Merta, Michal; Čermák, Martin

    2017-07-01

    In this work we describe the accelerated assembly of system matrices for the boundary element method using the Intel Xeon Phi coprocessors. We present a model problem, provide a brief overview of its discretization and acceleration of the system matrices assembly using the coprocessors, and test the accelerated version using a numerical benchmark.

  1. Controlled growth factor release from synthetic extracellular matrices

    NASA Astrophysics Data System (ADS)

    Lee, Kuen Yong; Peters, Martin C.; Anderson, Kenneth W.; Mooney, David J.

    2000-12-01

    Polymeric matrices can be used to grow new tissues and organs, and the delivery of growth factors from these matrices is one method to regenerate tissues. A problem with engineering tissues that exist in a mechanically dynamic environment, such as bone, muscle and blood vessels, is that most drug delivery systems have been designed to operate under static conditions. We thought that polymeric matrices, which release growth factors in response to mechanical signals, might provide a new approach to guide tissue formation in mechanically stressed environments. Critical design features for this type of system include the ability to undergo repeated deformation, and a reversible binding of the protein growth factors to polymeric matrices to allow for responses to repeated stimuli. Here we report a model delivery system that can respond to mechanical signalling and upregulate the release of a growth factor to promote blood vessel formation. This approach may find a number of applications, including regeneration and engineering of new tissues and more general drug-delivery applications.

  2. A comparison of SuperLU solvers on the intel MIC architecture

    NASA Astrophysics Data System (ADS)

    Tuncel, Mehmet; Duran, Ahmet; Celebi, M. Serdar; Akaydin, Bora; Topkaya, Figen O.

    2016-10-01

    In many science and engineering applications, problems may result in solving a sparse linear system AX=B. For example, SuperLU_MCDT, a linear solver, was used for the large penta-diagonal matrices for 2D problems and hepta-diagonal matrices for 3D problems, coming from the incompressible blood flow simulation (see [1]). It is important to test the status and potential improvements of state-of-the-art solvers on new technologies. In this work, sequential, multithreaded and distributed versions of SuperLU solvers (see [2]) are examined on the Intel Xeon Phi coprocessors using offload programming model at the EURORA cluster of CINECA in Italy. We consider a portfolio of test matrices containing patterned matrices from UFMM ([3]) and randomly located matrices. This architecture can benefit from high parallelism and large vectors. We find that the sequential SuperLU benefited up to 45 % performance improvement from the offload programming depending on the sparse matrix type and the size of transferred and processed data.

  3. Effects of prolonged soil drought on CH4 oxidation in a temperate spruce forest

    NASA Astrophysics Data System (ADS)

    Borken, W.; Brumme, R.; Xu, Y.-J.

    2000-03-01

    Our objective was to determine potential impacts of changes in rainfall amount and distribution on soil CH4 oxidation in a temperate forest ecosystem. We constructed a roof below the canopy of a 65-year-old Norway spruce forest (Picea abies (L.) Karst.) and simulated two climate change scenarios: (1) an extensively prolonged summer drought of 172 days followed by a rewetting period of 19 days in 1993 and (2) a less intensive summer drought of 108 days followed by a rewetting period of 33 days in 1994. CH4 oxidation, soil matric potential, and soil temperature were measured hourly to daily over a 2-year period. The results showed that annual CH4 oxidation in the drought experiment increased by 102% for the climate change scenario 1 and by 41% for the climate change scenario 2, compared to those of the ambient plot (1.33 kg CH4 ha-1 in 1993 and 1.65 kg CH4 ha-1 in 1994). We tested the relationships between CH4 oxidation rates, water-filled pore space (WFPS), soil matric potential, gas diffusivity, and soil temperature. Temporal variability in the CH4 oxidation rates corresponded most closely to soil matric potential. Employing soil matric potential and soil temperature, we developed a nonlinear model for estimating CH4 oxidation rates. Modeled results were in strong agreement with the measured CH4 oxidation for the ambient (r2 = 0.80) and drought plots (r2 = 0.89) over two experimental years, suggesting that soil matric potential is a highly reliable parameter for modeling CH4 oxidation rate.

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

    The purpose of the computer program is to generate system matrices that model data acquisition process in dynamic single photon emission computed tomography (SPECT). The application is for the reconstruction of dynamic data from projection measurements that provide the time evolution of activity uptake and wash out in an organ of interest. The measurement of the time activity in the blood and organ tissue provide time-activity curves (TACs) that are used to estimate kinetic parameters. The program provides a correct model of the in vivo spatial and temporal distribution of radioactive in organs. The model accounts for the attenuation ofmore » the internal emitting radioactivity, it accounts for the vary point response of the collimators, and correctly models the time variation of the activity in the organs. One important application where the software is being used in a measuring the arterial input function (AIF) in a dynamic SPECT study where the data are acquired from a slow camera rotation. Measurement of the arterial input function (AIF) is essential to deriving quantitative estimates of regional myocardial blood flow using kinetic models. A study was performed to evaluate whether a slowly rotating SPECT system could provide accurate AIF's for myocardial perfusion imaging (MPI). Methods: Dynamic cardiac SPECT was first performed in human subjects at rest using a Phillips Precedence SPECT/CT scanner. Dynamic measurements of Tc-99m-tetrofosmin in the myocardium were obtained using an infusion time of 2 minutes. Blood input, myocardium tissue and liver TACs were estimated using spatiotemporal splines. These were fit to a one-compartment perfusion model to obtain wash-in rate parameters K1. Results: The spatiotemporal 4D ML-EM reconstructions gave more accurate reconstructions that did standard frame-by-frame 3D ML-EM reconstructions. From additional computer simulations and phantom studies, it was determined that a 1 minute infusion with a SPECT system rotation speed providing 180 degrees of projection data every 54s can produce measurements of blood pool and myocardial TACs. This has important application in the circulation of coronary flow reserve using rest/stress dynamic cardiac SPECT. They system matrices are used in maximum likelihood and maximum a posterior formulations in estimation theory where through iterative algorithms (conjugate gradient, expectation maximization, or maximum a posteriori probability algorithms) the solution is determined that maximizes a likelihood or a posteriori probability function.« less

  5. Computational aspects of helicopter trim analysis and damping levels from Floquet theory

    NASA Technical Reports Server (NTRS)

    Gaonkar, Gopal H.; Achar, N. S.

    1992-01-01

    Helicopter trim settings of periodic initial state and control inputs are investigated for convergence of Newton iteration in computing the settings sequentially and in parallel. The trim analysis uses a shooting method and a weak version of two temporal finite element methods with displacement formulation and with mixed formulation of displacements and momenta. These three methods broadly represent two main approaches of trim analysis: adaptation of initial-value and finite element boundary-value codes to periodic boundary conditions, particularly for unstable and marginally stable systems. In each method, both the sequential and in-parallel schemes are used and the resulting nonlinear algebraic equations are solved by damped Newton iteration with an optimally selected damping parameter. The impact of damped Newton iteration, including earlier-observed divergence problems in trim analysis, is demonstrated by the maximum condition number of the Jacobian matrices of the iterative scheme and by virtual elimination of divergence. The advantages of the in-parallel scheme over the conventional sequential scheme are also demonstrated.

  6. Scaled particle theory for bulk and confined fluids: A review

    NASA Astrophysics Data System (ADS)

    Dong, Wei; Chen, XiaoSong

    2018-07-01

    More than half a century after its first formulation by Reiss, Frisch and Lebowitz in 1959, scaled particle theory (SPT) has proven its immense usefulness and has become one of the most successful theories in liquid physics. In recent years, we have strived to extend SPT to fluids confined in a variety of random porous matrices. In this article, we present a timely review of these developments. We have endeavored to present a formulation that is pedagogically more accessible than those presented in various original papers, and we hope this benefits newcomers in their research work. We also use more consistent notations for different cases. In addition, we discuss issues that have been scarcely considered in the literature, e.g., the one-fluid structure of SPT due to the isomorphism between the equation of state for a multicomponent fluid and that for a one-component fluid or the pure-confinement scaling relation that provides a connection between a confined and a bulk fluid.

  7. Development of formulations to improve the controlled-release of linalool to be applied as an insecticide.

    PubMed

    Lopez, M D; Maudhuit, A; Pascual-Villalobos, M J; Poncelet, D

    2012-02-08

    In recent studies, insecticide activity of a monoterpene, linalool, has been demonstrated, finding, however, limitations in application because of its rapid volatilization. Potential effectiveness of microcapsules and effects of various types of matrices on its stability as controlled-release systems for the slow volatilization of linalool to be applied as insecticide were evaluated. To study controlled-release, linalool was entrapped into microcapsules, inclusion complexes, and beads, obtained by different methods, inverse gelation (IG1, IG2, IG3, IG4, and IG5), oil-emulsion-entrapment (OEE), interfacial coacervation (INCO), and chemical precipitation (Cyc5 and Cyc10). The encapsulation yield turned out to be different for each formulation, reaching the maximum retention for IG1 and OEE. In controlled-release, OEE followed by INCO presented a long time necessary for releasing as a result of the presence of glycerol or chitosan. These results pointed out remarkable differences in the release behavior of linalool depending on matrix composition and the method of encapsulation.

  8. Strings, boundary fermions and coincident D-branes

    NASA Astrophysics Data System (ADS)

    Wulff, Linus

    2007-01-01

    This thesis describes an attempt to write down covariant actions for coincident D-branes using so-called boundary fermions instead of matrices to describe the non-abelian fields. These fermions can be thought of as Chan-Paton degrees of freedom for the open string. It is shown that by gauge-fixing and by suitably quantizing these boundary fermions the non-abelian action that is known, the Myers action, can be reproduced. Furthermore it is shown that under natural assumptions, unlike the Myers action, the action formulated using boundary fermions also posseses kappa-symmetry when formulated on superspace. Another aspect of string theory discussed in this thesis is that of tensionless strings. These are of great interest for example because of their possible relation to higher spin gauge theories via the AdS/CFT-correspondence. The tensionless superstring in a plane wave background, a Penrose limit of the near-horizon geometry of a stack of D3-branes, is considered and compared to the tensile case.

  9. Modeling the Impact of Alternative Immunization Strategies: Using Matrices as Memory Lanes

    PubMed Central

    Alonso, Wladimir J.; Rabaa, Maia A.; Giglio, Ricardo; Miller, Mark A.; Schuck-Paim, Cynthia

    2015-01-01

    Existing modeling approaches are divided between a focus on the constitutive (micro) elements of systems or on higher (macro) organization levels. Micro-level models enable consideration of individual histories and interactions, but can be unstable and subject to cumulative errors. Macro-level models focus on average population properties, but may hide relevant heterogeneity at the micro-scale. We present a framework that integrates both approaches through the use of temporally structured matrices that can take large numbers of variables into account. Matrices are composed of several bidimensional (time×age) grids, each representing a state (e.g. physiological, immunological, socio-demographic). Time and age are primary indices linking grids. These matrices preserve the entire history of all population strata and enable the use of historical events, parameters and states dynamically in the modeling process. This framework is applicable across fields, but particularly suitable to simulate the impact of alternative immunization policies. We demonstrate the framework by examining alternative strategies to accelerate measles elimination in 15 developing countries. The model recaptured long-endorsed policies in measles control, showing that where a single routine measles-containing vaccine is employed with low coverage, any improvement in coverage is more effective than a second dose. It also identified an opportunity to save thousands of lives in India at attractively low costs through the implementation of supplementary immunization campaigns. The flexibility of the approach presented enables estimating the effectiveness of different immunization policies in highly complex contexts involving multiple and historical influences from different hierarchical levels. PMID:26509976

  10. Guidelines and Recommendations on the Use of Higher Order Finite Elements for Bending Analysis of Plates

    NASA Astrophysics Data System (ADS)

    Carrera, E.; Miglioretti, F.; Petrolo, M.

    2011-11-01

    This paper compares and evaluates various plate finite elements to analyse the static response of thick and thin plates subjected to different loading and boundary conditions. Plate elements are based on different assumptions for the displacement distribution along the thickness direction. Classical (Kirchhoff and Reissner-Mindlin), refined (Reddy and Kant), and other higher-order displacement fields are implemented up to fourth-order expansion. The Unified Formulation UF by the first author is used to derive finite element matrices in terms of fundamental nuclei which consist of 3×3 arrays. The MITC4 shear-locking free type formulation is used for the FE approximation. Accuracy of a given plate element is established in terms of the error vs. thickness-to-length parameter. A significant number of finite elements for plates are implemented and compared using displacement and stress variables for various plate problems. Reduced models that are able to detect the 3D solution are built and a Best Plate Diagram (BPD) is introduced to give guidelines for the construction of plate theories based on a given accuracy and number of terms. It is concluded that the UF is a valuable tool to establish, for a given plate problem, the most accurate FE able to furnish results within a certain accuracy range. This allows us to obtain guidelines and recommendations in building refined elements in the bending analysis of plates for various geometries, loadings, and boundary conditions.

  11. An Empirical State Error Covariance Matrix Orbit Determination Example

    NASA Technical Reports Server (NTRS)

    Frisbee, Joseph H., Jr.

    2015-01-01

    State estimation techniques serve effectively to provide mean state estimates. However, the state error covariance matrices provided as part of these techniques suffer from some degree of lack of confidence in their ability to adequately describe the uncertainty in the estimated states. A specific problem with the traditional form of state error covariance matrices is that they represent only a mapping of the assumed observation error characteristics into the state space. Any errors that arise from other sources (environment modeling, precision, etc.) are not directly represented in a traditional, theoretical state error covariance matrix. First, consider that an actual observation contains only measurement error and that an estimated observation contains all other errors, known and unknown. Then it follows that a measurement residual (the difference between expected and observed measurements) contains all errors for that measurement. Therefore, a direct and appropriate inclusion of the actual measurement residuals in the state error covariance matrix of the estimate will result in an empirical state error covariance matrix. This empirical state error covariance matrix will fully include all of the errors in the state estimate. The empirical error covariance matrix is determined from a literal reinterpretation of the equations involved in the weighted least squares estimation algorithm. It is a formally correct, empirical state error covariance matrix obtained through use of the average form of the weighted measurement residual variance performance index rather than the usual total weighted residual form. Based on its formulation, this matrix will contain the total uncertainty in the state estimate, regardless as to the source of the uncertainty and whether the source is anticipated or not. It is expected that the empirical error covariance matrix will give a better, statistical representation of the state error in poorly modeled systems or when sensor performance is suspect. In its most straight forward form, the technique only requires supplemental calculations to be added to existing batch estimation algorithms. In the current problem being studied a truth model making use of gravity with spherical, J2 and J4 terms plus a standard exponential type atmosphere with simple diurnal and random walk components is used. The ability of the empirical state error covariance matrix to account for errors is investigated under four scenarios during orbit estimation. These scenarios are: exact modeling under known measurement errors, exact modeling under corrupted measurement errors, inexact modeling under known measurement errors, and inexact modeling under corrupted measurement errors. For this problem a simple analog of a distributed space surveillance network is used. The sensors in this network make only range measurements and with simple normally distributed measurement errors. The sensors are assumed to have full horizon to horizon viewing at any azimuth. For definiteness, an orbit at the approximate altitude and inclination of the International Space Station is used for the study. The comparison analyses of the data involve only total vectors. No investigation of specific orbital elements is undertaken. The total vector analyses will look at the chisquare values of the error in the difference between the estimated state and the true modeled state using both the empirical and theoretical error covariance matrices for each of scenario.

  12. EMQIT: a machine learning approach for energy based PWM matrix quality improvement.

    PubMed

    Smolinska, Karolina; Pacholczyk, Marcin

    2017-08-01

    Transcription factor binding affinities to DNA play a key role for the gene regulation. Learning the specificity of the mechanisms of binding TFs to DNA is important both to experimentalists and theoreticians. With the development of high-throughput methods such as, e.g., ChiP-seq the need to provide unbiased models of binding events has been made apparent. We present EMQIT a modification to the approach introduced by Alamanova et al. and later implemented as 3DTF server. We observed that tuning of Boltzmann factor weights, used for conversion of calculated energies to nucleotide probabilities, has a significant impact on the quality of the associated PWM matrix. Consequently, we proposed to use receiver operator characteristics curves and the 10-fold cross-validation to learn best weights using experimentally verified data from TRANSFAC database. We applied our method to data available for various TFs. We verified the efficiency of detecting TF binding sites by the 3DTF matrices improved with our technique using experimental data from the TRANSFAC database. The comparison showed a significant similarity and comparable performance between the improved and the experimental matrices (TRANSFAC). Improved 3DTF matrices achieved significantly higher AUC values than the original 3DTF matrices (at least by 0.1) and, at the same time, detected notably more experimentally verified TFBSs. The resulting new improved PWM matrices for analyzed factors show similarity to TRANSFAC matrices. Matrices had comparable predictive capabilities. Moreover, improved PWMs achieve better results than matrices downloaded from 3DTF server. Presented approach is general and applicable to any energy-based matrices. EMQIT is available online at http://biosolvers.polsl.pl:3838/emqit . This article was reviewed by Oliviero Carugo, Marek Kimmel and István Simon.

  13. MODFLOW–USG version 1: An unstructured grid version of MODFLOW for simulating groundwater flow and tightly coupled processes using a control volume finite-difference formulation

    USGS Publications Warehouse

    Panday, Sorab; Langevin, Christian D.; Niswonger, Richard G.; Ibaraki, Motomu; Hughes, Joseph D.

    2013-01-01

    A new version of MODFLOW, called MODFLOW–USG (for UnStructured Grid), was developed to support a wide variety of structured and unstructured grid types, including nested grids and grids based on prismatic triangles, rectangles, hexagons, and other cell shapes. Flexibility in grid design can be used to focus resolution along rivers and around wells, for example, or to subdiscretize individual layers to better represent hydrostratigraphic units. MODFLOW–USG is based on an underlying control volume finite difference (CVFD) formulation in which a cell can be connected to an arbitrary number of adjacent cells. To improve accuracy of the CVFD formulation for irregular grid-cell geometries or nested grids, a generalized Ghost Node Correction (GNC) Package was developed, which uses interpolated heads in the flow calculation between adjacent connected cells. MODFLOW–USG includes a Groundwater Flow (GWF) Process, based on the GWF Process in MODFLOW–2005, as well as a new Connected Linear Network (CLN) Process to simulate the effects of multi-node wells, karst conduits, and tile drains, for example. The CLN Process is tightly coupled with the GWF Process in that the equations from both processes are formulated into one matrix equation and solved simultaneously. This robustness results from using an unstructured grid with unstructured matrix storage and solution schemes. MODFLOW–USG also contains an optional Newton-Raphson formulation, based on the formulation in MODFLOW–NWT, for improving solution convergence and avoiding problems with the drying and rewetting of cells. Because the existing MODFLOW solvers were developed for structured and symmetric matrices, they were replaced with a new Sparse Matrix Solver (SMS) Package developed specifically for MODFLOW–USG. The SMS Package provides several methods for resolving nonlinearities and multiple symmetric and asymmetric linear solution schemes to solve the matrix arising from the flow equations and the Newton-Raphson formulation, respectively.

  14. Quantum morphogenesis: A variation on Thom's catastrophe theory

    NASA Astrophysics Data System (ADS)

    Aerts, Dirk; Czachor, Marek; Gabora, Liane; Kuna, Maciej; Posiewnik, Andrzej; Pykacz, Jarosław; Syty, Monika

    2003-05-01

    Noncommutative propositions are characteristic of both quantum and nonquantum (sociological, biological, and psychological) situations. In a Hilbert space model, states, understood as correlations between all the possible propositions, are represented by density matrices. If systems in question interact via feedback with environment, their dynamics is nonlinear. Nonlinear evolutions of density matrices lead to the phenomenon of morphogenesis that may occur in noncommutative systems. Several explicit exactly solvable models are presented, including “birth and death of an organism” and “development of complementary properties.”

  15. Subspace Iteration Method for Complex Eigenvalue Problems with Nonsymmetric Matrices in Aeroelastic System

    NASA Technical Reports Server (NTRS)

    Pak, Chan-gi; Lung, Shun-fat

    2009-01-01

    Modern airplane design is a multidisciplinary task which combines several disciplines such as structures, aerodynamics, flight controls, and sometimes heat transfer. Historically, analytical and experimental investigations concerning the interaction of the elastic airframe with aerodynamic and in retia loads have been conducted during the design phase to determine the existence of aeroelastic instabilities, so called flutter .With the advent and increased usage of flight control systems, there is also a likelihood of instabilities caused by the interaction of the flight control system and the aeroelastic response of the airplane, known as aeroservoelastic instabilities. An in -house code MPASES (Ref. 1), modified from PASES (Ref. 2), is a general purpose digital computer program for the analysis of the closed-loop stability problem. This program used subroutines given in the International Mathematical and Statistical Library (IMSL) (Ref. 3) to compute all of the real and/or complex conjugate pairs of eigenvalues of the Hessenberg matrix. For high fidelity configuration, these aeroelastic system matrices are large and compute all eigenvalues will be time consuming. A subspace iteration method (Ref. 4) for complex eigenvalues problems with nonsymmetric matrices has been formulated and incorporated into the modified program for aeroservoelastic stability (MPASES code). Subspace iteration method only solve for the lowest p eigenvalues and corresponding eigenvectors for aeroelastic and aeroservoelastic analysis. In general, the selection of p is ranging from 10 for wing flutter analysis to 50 for an entire aircraft flutter analysis. The application of this newly incorporated code is an experiment known as the Aerostructures Test Wing (ATW) which was designed by the National Aeronautic and Space Administration (NASA) Dryden Flight Research Center, Edwards, California to research aeroelastic instabilities. Specifically, this experiment was used to study an instability known as flutter. ATW was a small-scale airplane wing comprised of an airfoil and wing tip boom. This wing was formulated based on a NACA-65A004 airfoil shape with a 3.28 aspect ratio. The wing had a span of 18 inch with root chord length of 13.2 inch and tip chord length of 8.7 inch. The total area of this wing was 197 square inch. The wing tip boom was a 1 inch diameter hollow tube of length 21.5 inch. The total weight of the wing was 2.66 lbs.

  16. A new phase of disordered phonons modelled by random matrices

    NASA Astrophysics Data System (ADS)

    Schmittner, Sebastian; Zirnbauer, Martin

    2015-03-01

    Starting from the clean harmonic crystal and not invoking two-level systems, we propose a model for phonons in a disordered solid. In this model the strength of mass and spring constant disorder can be increased separately. Both types of disorder are modelled by random matrices that couple the degrees of freedom locally. Treated in coherent potential approximation (CPA), the speed of sound decreases with increasing disorder until it reaches zero at finite disorder strength. There, a critical transition to a strong disorder phase occurs. In this novel phase, we find the density of states at zero energy in three dimensions to be finite, leading to a linear temperature dependence of the heat capacity, as observed experimentally for vitreous systems. For any disorder strength, our model is stable, i.e. masses and spring constants are positive, and there are no runaway dynamics. This is ensured by using appropriate probability distributions, inspired by Wishart ensembles, for the random matrices. The CPA self-consistency equations are derived in a very accessible way using planar diagrams. The talk focuses on the model and the results. The first author acknowledges financial support by the Deutsche Telekom Stiftung.

  17. Evaporation of decamethylcyclopentasiloxane (D5) from selected cosmetic products: Implications for consumer exposure modeling.

    PubMed

    Dudzina, Tatsiana; Garcia Hidalgo, Elena; von Goetz, Natalie; Bogdal, Christian; Hungerbuehler, Konrad

    2015-11-01

    Consumer exposure to leave-on cosmetics and personal care products (C&PCPs) ingredients of low or moderate volatility is often assumed to occur primarily via dermal absorption. In reality they may volatilize from skin and represent a significant source for inhalation exposure. Often, evaporation rates of pure substances from inert surfaces are used as a surrogate for evaporation from more complex product matrices. Also the influence of partitioning to skin is neglected and the resulting inaccuracies are not known. In this paper we describe a novel approach for measuring chemical evaporation rates from C&PCPs under realistic consumer exposure conditions. Series of experiments were carried out in a custom-made ventilated chamber fitted with a vapor trap to study the disposition of a volatile cosmetic ingredient, decamethylcyclopentasiloxane (D5), after its topical application on either aluminum foil or porcine skin in vitro. Single doses were applied neat and in commercial deodorant and face cream formulations at normal room (23°C) and skin temperature (32°C). The condition-specific evaporation rates were determined as the chemical mass loss per unit surface area at different time intervals over 1-1.25h post-dose. Product weight loss was monitored gravimetrically and the residual D5 concentrations were analyzed with GC/FID. The release of D5 from exposed surfaces of aluminum occurred very fast with mean rates of 0.029 mg cm(-2)min(-1) and 0.060 mg cm(-2)min(-1) at 23°C and 32°C, respectively. Statistical analysis of experimental data confirmed a significant effect of cosmetic formulations on the evaporation of D5 with the largest effect (2-fold decrease of the evaporation rate) observed for the neat face cream pair at 32°C. The developed approach explicitly considers the initial penetration and evaporation of a substance from the Stratum Corneum and has the potential for application in dermal exposure modeling, product emission tests and the formulation of C&PCPs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Comparing Consider-Covariance Analysis with Sigma-Point Consider Filter and Linear-Theory Consider Filter Formulations

    NASA Technical Reports Server (NTRS)

    Lisano, Michael E.

    2007-01-01

    Recent literature in applied estimation theory reflects growing interest in the sigma-point (also called unscented ) formulation for optimal sequential state estimation, often describing performance comparisons with extended Kalman filters as applied to specific dynamical problems [c.f. 1, 2, 3]. Favorable attributes of sigma-point filters are described as including a lower expected error for nonlinear even non-differentiable dynamical systems, and a straightforward formulation not requiring derivation or implementation of any partial derivative Jacobian matrices. These attributes are particularly attractive, e.g. in terms of enabling simplified code architecture and streamlined testing, in the formulation of estimators for nonlinear spaceflight mechanics systems, such as filter software onboard deep-space robotic spacecraft. As presented in [4], the Sigma-Point Consider Filter (SPCF) algorithm extends the sigma-point filter algorithm to the problem of consider covariance analysis. Considering parameters in a dynamical system, while estimating its state, provides an upper bound on the estimated state covariance, which is viewed as a conservative approach to designing estimators for problems of general guidance, navigation and control. This is because, whether a parameter in the system model is observable or not, error in the knowledge of the value of a non-estimated parameter will increase the actual uncertainty of the estimated state of the system beyond the level formally indicated by the covariance of an estimator that neglects errors or uncertainty in that parameter. The equations for SPCF covariance evolution are obtained in a fashion similar to the derivation approach taken with standard (i.e. linearized or extended) consider parameterized Kalman filters (c.f. [5]). While in [4] the SPCF and linear-theory consider filter (LTCF) were applied to an illustrative linear dynamics/linear measurement problem, in the present work examines the SPCF as applied to nonlinear sequential consider covariance analysis, i.e. in the presence of nonlinear dynamics and nonlinear measurements. A simple SPCF for orbit determination, exemplifying an algorithm hosted in the guidance, navigation and control (GN&C) computer processor of a hypothetical robotic spacecraft, was implemented, and compared with an identically-parameterized (standard) extended, consider-parameterized Kalman filter. The onboard filtering scenario examined is a hypothetical spacecraft orbit about a small natural body with imperfectly-known mass. The formulations, relative complexities, and performances of the filters are compared and discussed.

  19. Fine structure of spectral properties for random correlation matrices: An application to financial markets

    NASA Astrophysics Data System (ADS)

    Livan, Giacomo; Alfarano, Simone; Scalas, Enrico

    2011-07-01

    We study some properties of eigenvalue spectra of financial correlation matrices. In particular, we investigate the nature of the large eigenvalue bulks which are observed empirically, and which have often been regarded as a consequence of the supposedly large amount of noise contained in financial data. We challenge this common knowledge by acting on the empirical correlation matrices of two data sets with a filtering procedure which highlights some of the cluster structure they contain, and we analyze the consequences of such filtering on eigenvalue spectra. We show that empirically observed eigenvalue bulks emerge as superpositions of smaller structures, which in turn emerge as a consequence of cross correlations between stocks. We interpret and corroborate these findings in terms of factor models, and we compare empirical spectra to those predicted by random matrix theory for such models.

  20. Modeling Radioactive Decay Chains with Branching Fraction Uncertainties

    DTIC Science & Technology

    2013-03-01

    moments methods with transmutation matrices. Uncertainty from both half-lives and branching fractions is carried through these calculations by Monte...moment methods, method for sampling from normal distributions for half- life uncertainty, and use of transmutation matrices were leveraged. This...distributions for half-life and branching fraction uncertainties, building decay chains and generating the transmutation matrix (T-matrix

  1. Development of Abbreviated Nine-Item Forms of the Raven's Standard Progressive Matrices Test

    ERIC Educational Resources Information Center

    Bilker, Warren B.; Hansen, John A.; Brensinger, Colleen M.; Richard, Jan; Gur, Raquel E.; Gur, Ruben C.

    2012-01-01

    The Raven's Standard Progressive Matrices (RSPM) is a 60-item test for measuring abstract reasoning, considered a nonverbal estimate of fluid intelligence, and often included in clinical assessment batteries and research on patients with cognitive deficits. The goal was to develop and apply a predictive model approach to reduce the number of items…

  2. Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

    NASA Astrophysics Data System (ADS)

    Chiang, C. K.; Xue, David Y.; Mei, Chuh

    1993-04-01

    A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

  3. Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

    NASA Technical Reports Server (NTRS)

    Chiang, C. K.; Xue, David Y.; Mei, Chuh

    1993-01-01

    A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

  4. Projective limits of state spaces I. Classical formalism

    NASA Astrophysics Data System (ADS)

    Lanéry, Suzanne; Thiemann, Thomas

    2017-01-01

    In this series of papers, we investigate the projective framework initiated by Jerzy Kijowski (1977) and Andrzej Okołów (2009, 2013, 2014), which describes the states of a quantum (field) theory as projective families of density matrices. A short reading guide to the series can be found in [27]. The present first paper aims at clarifying the classical structures that underlies this formalism, namely projective limits of symplectic manifolds [27, subsection 2.1]. In particular, this allows us to discuss accurately the issues hindering an easy implementation of the dynamics in this context, and to formulate a strategy for overcoming them [27, subsection 4.1].

  5. Evaluation of experimental epoxy monomers

    NASA Technical Reports Server (NTRS)

    Hodges, W. T.; St.clair, T. L.; Pratt, J. R.; Ficklin, R.

    1985-01-01

    Future generation aircraft need higher performance polymer matrices to fully achieve the weight savings possible with composite materials. New resins are being formulated in an effort to understand basic polymer behavior and to develop improved resins. Some polymer/curing agent combinations that could be useful are difficult to process. In the area of epoxies, a major problem is that some components have physical properties which make them difficult to utilize as matrix resins. A previous study showed that the use of ultrasonic energy can be advantageous in the mixing of curing agents into a standard epoxy resin, such as MY 720 (Ciba-Geigy designation). This work is expanded to include three novel epoxides.

  6. KPII: Cauchy-Jost function, Darboux transformations and totally nonnegative matrices

    NASA Astrophysics Data System (ADS)

    Boiti, M.; Pempinelli, F.; Pogrebkov, A. K.

    2017-07-01

    Direct definition of the Cauchy-Jost (known also as Cauchy-Baker-Akhiezer) function is given in the case of a pure solitonic solution. Properties of this function are discussed in detail using the Kadomtsev-Petviashvili II equation as an example. This enables formulation of the Darboux transformations in terms of the Cauchy-Jost function and classification of these transformations. Action of Darboux transformations on Grassmanians—i.e. on the space of soliton parameters—is derived and the relation of the Darboux transformations with the property of total nonnegativity of elements of corresponding Grassmanians is discussed. To the memory of our friend and colleague Peter P Kulish

  7. Nonlinear Transient Problems Using Structure Compatible Heat Transfer Code

    NASA Technical Reports Server (NTRS)

    Hou, Gene

    2000-01-01

    The report documents the recent effort to enhance a transient linear heat transfer code so as to solve nonlinear problems. The linear heat transfer code was originally developed by Dr. Kim Bey of NASA Largely and called the Structure-Compatible Heat Transfer (SCHT) code. The report includes four parts. The first part outlines the formulation of the heat transfer problem of concern. The second and the third parts give detailed procedures to construct the nonlinear finite element equations and the required Jacobian matrices for the nonlinear iterative method, Newton-Raphson method. The final part summarizes the results of the numerical experiments on the newly enhanced SCHT code.

  8. Non-fragile multivariable PID controller design via system augmentation

    NASA Astrophysics Data System (ADS)

    Liu, Jinrong; Lam, James; Shen, Mouquan; Shu, Zhan

    2017-07-01

    In this paper, the issue of designing non-fragile H∞ multivariable proportional-integral-derivative (PID) controllers with derivative filters is investigated. In order to obtain the controller gains, the original system is associated with an extended system such that the PID controller design can be formulated as a static output-feedback control problem. By taking the system augmentation approach, the conditions with slack matrices for solving the non-fragile H∞ multivariable PID controller gains are established. Based on the results, linear matrix inequality -based iterative algorithms are provided to compute the controller gains. Simulations are conducted to verify the effectiveness of the proposed approaches.

  9. From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

    DOE PAGES

    Afonine, Pavel V.; Adams, Paul D.; Urzhumtsev, Alexandre

    2018-06-08

    TLS modelling was developed by Schomaker and Trueblood to describe atomic displacement parameters through concerted (rigid-body) harmonic motions of an atomic group [Schomaker & Trueblood (1968), Acta Cryst. B 24 , 63–76]. The results of a TLS refinement are T , L and S matrices that provide individual anisotropic atomic displacement parameters (ADPs) for all atoms belonging to the group. These ADPs can be calculated analytically using a formula that relates the elements of the TLS matrices to atomic parameters. Alternatively, ADPs can be obtained numerically from the parameters of concerted atomic motions corresponding to the TLS matrices. Both proceduresmore » are expected to produce the same ADP values and therefore can be used to assess the results of TLS refinement. Here, the implementation of this approach in PHENIX is described and several illustrations, including the use of all models from the PDB that have been subjected to TLS refinement, are provided.« less

  10. Estimating and Identifying Unspecified Correlation Structure for Longitudinal Data

    PubMed Central

    Hu, Jianhua; Wang, Peng; Qu, Annie

    2014-01-01

    Identifying correlation structure is important to achieving estimation efficiency in analyzing longitudinal data, and is also crucial for drawing valid statistical inference for large size clustered data. In this paper, we propose a nonparametric method to estimate the correlation structure, which is applicable for discrete longitudinal data. We utilize eigenvector-based basis matrices to approximate the inverse of the empirical correlation matrix and determine the number of basis matrices via model selection. A penalized objective function based on the difference between the empirical and model approximation of the correlation matrices is adopted to select an informative structure for the correlation matrix. The eigenvector representation of the correlation estimation is capable of reducing the risk of model misspecification, and also provides useful information on the specific within-cluster correlation pattern of the data. We show that the proposed method possesses the oracle property and selects the true correlation structure consistently. The proposed method is illustrated through simulations and two data examples on air pollution and sonar signal studies. PMID:26361433

  11. From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

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

    Afonine, Pavel V.; Adams, Paul D.; Urzhumtsev, Alexandre

    TLS modelling was developed by Schomaker and Trueblood to describe atomic displacement parameters through concerted (rigid-body) harmonic motions of an atomic group [Schomaker & Trueblood (1968), Acta Cryst. B 24 , 63–76]. The results of a TLS refinement are T , L and S matrices that provide individual anisotropic atomic displacement parameters (ADPs) for all atoms belonging to the group. These ADPs can be calculated analytically using a formula that relates the elements of the TLS matrices to atomic parameters. Alternatively, ADPs can be obtained numerically from the parameters of concerted atomic motions corresponding to the TLS matrices. Both proceduresmore » are expected to produce the same ADP values and therefore can be used to assess the results of TLS refinement. Here, the implementation of this approach in PHENIX is described and several illustrations, including the use of all models from the PDB that have been subjected to TLS refinement, are provided.« less

  12. New distributed fusion filtering algorithm based on covariances over sensor networks with random packet dropouts

    NASA Astrophysics Data System (ADS)

    Caballero-Águila, R.; Hermoso-Carazo, A.; Linares-Pérez, J.

    2017-07-01

    This paper studies the distributed fusion estimation problem from multisensor measured outputs perturbed by correlated noises and uncertainties modelled by random parameter matrices. Each sensor transmits its outputs to a local processor over a packet-erasure channel and, consequently, random losses may occur during transmission. Different white sequences of Bernoulli variables are introduced to model the transmission losses. For the estimation, each lost output is replaced by its estimator based on the information received previously, and only the covariances of the processes involved are used, without requiring the signal evolution model. First, a recursive algorithm for the local least-squares filters is derived by using an innovation approach. Then, the cross-correlation matrices between any two local filters is obtained. Finally, the distributed fusion filter weighted by matrices is obtained from the local filters by applying the least-squares criterion. The performance of the estimators and the influence of both sensor uncertainties and transmission losses on the estimation accuracy are analysed in a numerical example.

  13. ORACLS- OPTIMAL REGULATOR ALGORITHMS FOR THE CONTROL OF LINEAR SYSTEMS (CDC VERSION)

    NASA Technical Reports Server (NTRS)

    Armstrong, E. S.

    1994-01-01

    This control theory design package, called Optimal Regulator Algorithms for the Control of Linear Systems (ORACLS), was developed to aid in the design of controllers and optimal filters for systems which can be modeled by linear, time-invariant differential and difference equations. Optimal linear quadratic regulator theory, currently referred to as the Linear-Quadratic-Gaussian (LQG) problem, has become the most widely accepted method of determining optimal control policy. Within this theory, the infinite duration time-invariant problems, which lead to constant gain feedback control laws and constant Kalman-Bucy filter gains for reconstruction of the system state, exhibit high tractability and potential ease of implementation. A variety of new and efficient methods in the field of numerical linear algebra have been combined into the ORACLS program, which provides for the solution to time-invariant continuous or discrete LQG problems. The ORACLS package is particularly attractive to the control system designer because it provides a rigorous tool for dealing with multi-input and multi-output dynamic systems in both continuous and discrete form. The ORACLS programming system is a collection of subroutines which can be used to formulate, manipulate, and solve various LQG design problems. The ORACLS program is constructed in a manner which permits the user to maintain considerable flexibility at each operational state. This flexibility is accomplished by providing primary operations, analysis of linear time-invariant systems, and control synthesis based on LQG methodology. The input-output routines handle the reading and writing of numerical matrices, printing heading information, and accumulating output information. The basic vector-matrix operations include addition, subtraction, multiplication, equation, norm construction, tracing, transposition, scaling, juxtaposition, and construction of null and identity matrices. The analysis routines provide for the following computations: the eigenvalues and eigenvectors of real matrices; the relative stability of a given matrix; matrix factorization; the solution of linear constant coefficient vector-matrix algebraic equations; the controllability properties of a linear time-invariant system; the steady-state covariance matrix of an open-loop stable system forced by white noise; and the transient response of continuous linear time-invariant systems. The control law design routines of ORACLS implement some of the more common techniques of time-invariant LQG methodology. For the finite-duration optimal linear regulator problem with noise-free measurements, continuous dynamics, and integral performance index, a routine is provided which implements the negative exponential method for finding both the transient and steady-state solutions to the matrix Riccati equation. For the discrete version of this problem, the method of backwards differencing is applied to find the solutions to the discrete Riccati equation. A routine is also included to solve the steady-state Riccati equation by the Newton algorithms described by Klein, for continuous problems, and by Hewer, for discrete problems. Another routine calculates the prefilter gain to eliminate control state cross-product terms in the quadratic performance index and the weighting matrices for the sampled data optimal linear regulator problem. For cases with measurement noise, duality theory and optimal regulator algorithms are used to calculate solutions to the continuous and discrete Kalman-Bucy filter problems. Finally, routines are included to implement the continuous and discrete forms of the explicit (model-in-the-system) and implicit (model-in-the-performance-index) model following theory. These routines generate linear control laws which cause the output of a dynamic time-invariant system to track the output of a prescribed model. In order to apply ORACLS, the user must write an executive (driver) program which inputs the problem coefficients, formulates and selects the routines to be used to solve the problem, and specifies the desired output. There are three versions of ORACLS source code available for implementation: CDC, IBM, and DEC. The CDC version has been implemented on a CDC 6000 series computer with a central memory of approximately 13K (octal) of 60 bit words. The CDC version is written in FORTRAN IV, was developed in 1978, and last updated in 1989. The IBM version has been implemented on an IBM 370 series computer with a central memory requirement of approximately 300K of 8 bit bytes. The IBM version is written in FORTRAN IV and was generated in 1981. The DEC version has been implemented on a VAX series computer operating under VMS. The VAX version is written in FORTRAN 77 and was generated in 1986.

  14. ORACLS- OPTIMAL REGULATOR ALGORITHMS FOR THE CONTROL OF LINEAR SYSTEMS (DEC VAX VERSION)

    NASA Technical Reports Server (NTRS)

    Frisch, H.

    1994-01-01

    This control theory design package, called Optimal Regulator Algorithms for the Control of Linear Systems (ORACLS), was developed to aid in the design of controllers and optimal filters for systems which can be modeled by linear, time-invariant differential and difference equations. Optimal linear quadratic regulator theory, currently referred to as the Linear-Quadratic-Gaussian (LQG) problem, has become the most widely accepted method of determining optimal control policy. Within this theory, the infinite duration time-invariant problems, which lead to constant gain feedback control laws and constant Kalman-Bucy filter gains for reconstruction of the system state, exhibit high tractability and potential ease of implementation. A variety of new and efficient methods in the field of numerical linear algebra have been combined into the ORACLS program, which provides for the solution to time-invariant continuous or discrete LQG problems. The ORACLS package is particularly attractive to the control system designer because it provides a rigorous tool for dealing with multi-input and multi-output dynamic systems in both continuous and discrete form. The ORACLS programming system is a collection of subroutines which can be used to formulate, manipulate, and solve various LQG design problems. The ORACLS program is constructed in a manner which permits the user to maintain considerable flexibility at each operational state. This flexibility is accomplished by providing primary operations, analysis of linear time-invariant systems, and control synthesis based on LQG methodology. The input-output routines handle the reading and writing of numerical matrices, printing heading information, and accumulating output information. The basic vector-matrix operations include addition, subtraction, multiplication, equation, norm construction, tracing, transposition, scaling, juxtaposition, and construction of null and identity matrices. The analysis routines provide for the following computations: the eigenvalues and eigenvectors of real matrices; the relative stability of a given matrix; matrix factorization; the solution of linear constant coefficient vector-matrix algebraic equations; the controllability properties of a linear time-invariant system; the steady-state covariance matrix of an open-loop stable system forced by white noise; and the transient response of continuous linear time-invariant systems. The control law design routines of ORACLS implement some of the more common techniques of time-invariant LQG methodology. For the finite-duration optimal linear regulator problem with noise-free measurements, continuous dynamics, and integral performance index, a routine is provided which implements the negative exponential method for finding both the transient and steady-state solutions to the matrix Riccati equation. For the discrete version of this problem, the method of backwards differencing is applied to find the solutions to the discrete Riccati equation. A routine is also included to solve the steady-state Riccati equation by the Newton algorithms described by Klein, for continuous problems, and by Hewer, for discrete problems. Another routine calculates the prefilter gain to eliminate control state cross-product terms in the quadratic performance index and the weighting matrices for the sampled data optimal linear regulator problem. For cases with measurement noise, duality theory and optimal regulator algorithms are used to calculate solutions to the continuous and discrete Kalman-Bucy filter problems. Finally, routines are included to implement the continuous and discrete forms of the explicit (model-in-the-system) and implicit (model-in-the-performance-index) model following theory. These routines generate linear control laws which cause the output of a dynamic time-invariant system to track the output of a prescribed model. In order to apply ORACLS, the user must write an executive (driver) program which inputs the problem coefficients, formulates and selects the routines to be used to solve the problem, and specifies the desired output. There are three versions of ORACLS source code available for implementation: CDC, IBM, and DEC. The CDC version has been implemented on a CDC 6000 series computer with a central memory of approximately 13K (octal) of 60 bit words. The CDC version is written in FORTRAN IV, was developed in 1978, and last updated in 1986. The IBM version has been implemented on an IBM 370 series computer with a central memory requirement of approximately 300K of 8 bit bytes. The IBM version is written in FORTRAN IV and was generated in 1981. The DEC version has been implemented on a VAX series computer operating under VMS. The VAX version is written in FORTRAN 77 and was generated in 1986.

  15. Riemannian multi-manifold modeling and clustering in brain networks

    NASA Astrophysics Data System (ADS)

    Slavakis, Konstantinos; Salsabilian, Shiva; Wack, David S.; Muldoon, Sarah F.; Baidoo-Williams, Henry E.; Vettel, Jean M.; Cieslak, Matthew; Grafton, Scott T.

    2017-08-01

    This paper introduces Riemannian multi-manifold modeling in the context of brain-network analytics: Brainnetwork time-series yield features which are modeled as points lying in or close to a union of a finite number of submanifolds within a known Riemannian manifold. Distinguishing disparate time series amounts thus to clustering multiple Riemannian submanifolds. To this end, two feature-generation schemes for brain-network time series are put forth. The first one is motivated by Granger-causality arguments and uses an auto-regressive moving average model to map low-rank linear vector subspaces, spanned by column vectors of appropriately defined observability matrices, to points into the Grassmann manifold. The second one utilizes (non-linear) dependencies among network nodes by introducing kernel-based partial correlations to generate points in the manifold of positivedefinite matrices. Based on recently developed research on clustering Riemannian submanifolds, an algorithm is provided for distinguishing time series based on their Riemannian-geometry properties. Numerical tests on time series, synthetically generated from real brain-network structural connectivity matrices, reveal that the proposed scheme outperforms classical and state-of-the-art techniques in clustering brain-network states/structures.

  16. Optimization of tenofovir release from mucoadhesive vaginal tablets by polymer combination to prevent sexual transmission of HIV.

    PubMed

    Notario-Pérez, Fernando; Cazorla-Luna, Raúl; Martín-Illana, Araceli; Ruiz-Caro, Roberto; Tamayo, Aitana; Rubio, Juan; Veiga, María-Dolores

    2018-01-01

    The use of sustained-release mucoadhesive vaginal tablets of antiretroviral drugs as microbicidal formulations can be an effective strategy for reducing the sexual transmission of HIV from men to women, which is a main problem particularly in low- and middle-income countries. Different polymers (hydroxypropylmethyl cellulose (HPMC), chitosan, guar gum and Eudragit ® RS) have proven some good features for this purpose. At this work, these polymers have been combined in pairs in different proportions to enhance the advantages offered by each one individually. The in vitro release of tenofovir from the matrices, ex vivo mucoadhesive capacity (evaluated on vaginal mucosa) and the degree of swelling in simulated vaginal fluid have been assessed. A multimodal pore size distribution is observed in porosimetry studies -carried out with swelling witnesses-, due to the contribution of polymers with different swelling behaviour to the pore formation, and it is corroborated by scanning electron microscopy. X-ray diffraction technique confirms the changes in crystallinity of the formulation after swelling. We can report that the combination of HPMC and chitosan in the same formulation may be useful for the prevention of sexual transmission of HIV, since tablets can be obtained that remain adhered to the vaginal mucosa for 96h, so the drug is released in a sustained manner for 72h. When the formulation contains more chitosan than HPMC the swelling is moderate, making it more comfortable for women to apply. Copyright © 2017. Published by Elsevier Ltd.

  17. Full wave two-dimensional modeling of scattering and inverse scattering for layered rough surfaces with buried objects

    NASA Astrophysics Data System (ADS)

    Kuo, Chih-Hao

    Efficient and accurate modeling of electromagnetic scattering from layered rough surfaces with buried objects finds applications ranging from detection of landmines to remote sensing of subsurface soil moisture. The formulation of a hybrid numerical/analytical solution to electromagnetic scattering from layered rough surfaces is first presented in this dissertation. The solution to scattering from each rough interface is sought independently based on the extended boundary condition method (EBCM), where the scattered fields of each rough interface are expressed as a summation of plane waves and then cast into reflection/transmission matrices. To account for interactions between multiple rough boundaries, the scattering matrix method (SMM) is applied to recursively cascade reflection and transmission matrices of each rough interface and obtain the composite reflection matrix from the overall scattering medium. The validation of this method against the Method of Moments (MoM) and Small Perturbation Method (SPM) is addressed and the numerical results which investigate the potential of low frequency radar systems in estimating deep soil moisture are presented. Computational efficiency of the proposed method is also discussed. In order to demonstrate the capability of this method in modeling coherent multiple scattering phenomena, the proposed method has been employed to analyze backscattering enhancement and satellite peaks due to surface plasmon waves from layered rough surfaces. Numerical results which show the appearance of enhanced backscattered peaks and satellite peaks are presented. Following the development of the EBCM/SMM technique, a technique which incorporates a buried object in layered rough surfaces by employing the T-matrix method and the cylindrical-to-spatial harmonics transformation is proposed. Validation and numerical results are provided. Finally, a multi-frequency polarimetric inversion algorithm for the retrieval of subsurface soil properties using VHF/UHF band radar measurements is devised. The top soil dielectric constant is first determined using an L-band inversion algorithm. For the retrieval of subsurface properties, a time-domain inversion technique is employed together with a parameter optimization for the pulse shape of time delay echoes from VHF/UHF band radar observations. Numerical studies to investigate the accuracy of the proposed inversion technique in presence of errors are addressed.

  18. Solvent-induced dimensional changes in EDTA-demineralized dentin matrix.

    PubMed

    Pashley, D H; Agee, K A; Nakajima, M; Tay, F R; Carvalho, R M; Terada, R S; Harmon, F J; Lee, W K; Rueggeberg, F A

    2001-08-01

    The purpose of this study was to test the null hypothesis that the re-expansion of dried matrix and the shrinkage of moist, demineralized dentin is not influenced by polar solvents. Dentin disks were prepared from midcoronal dentin of extracted human third molars. After complete demineralization in 0.5M of EDTA (pH 7), the specimens were placed in the well of a device that measures changes in matrix height in real time. Dry, collapsed matrices were created by blowing dry N(2) on the specimens until they shrank to a stable plateau. Polar solvents [water, methanol, ethanol, n-propanol, n-butanol, formamide, ethylene glycol, hydroxyethyl methacrylate (HEMA), or mixtures of water-HEMA] as model primers then were added and the degree of re-expansion measured. These same solvents also were applied to moist, expanded matrices and the solvent-induced shrinkages measured. Regression analysis was used to test the correlations between matrix height and Hansen's dispersive, polar, hydrogen bonding, and total solubility parameters (delta(d), delta(p), delta(h), delta(t)). The results indicate that water-free polar solvents of low hydrogen bonding (H-bond) ability (e.g., neat HEMA) do not re-expand dried matrices and that they shrink moist matrices. When HEMA was mixed with progressively higher water concentrations, the model water-HEMA primers expanded the dried matrix in proportion to their water concentrations and they produced less shrinkage of moist matrices. Solvents with higher H-bonding capacities (methanol, ethanol, ethylene glycol, formamide, and water) re-expanded the dried matrix in proportion to their solubility parameters for H-bonding (delta(h)). They also induced small transient shrinkages of moist matrices, which slowly re-expanded. The results require rejection of the null hypothesis. Copyright 2001 John Wiley & Sons, Inc. J Biomed Mater Res 56: 273-281, 2001

  19. Planck constant as spectral parameter in integrable systems and KZB equations

    NASA Astrophysics Data System (ADS)

    Levin, A.; Olshanetsky, M.; Zotov, A.

    2014-10-01

    We construct special rational gl N Knizhnik-Zamolodchikov-Bernard (KZB) equations with Ñ punctures by deformation of the corresponding quantum gl N rational R-matrix. They have two parameters. The limit of the first one brings the model to the ordinary rational KZ equation. Another one is τ. At the level of classical mechanics the deformation parameter τ allows to extend the previously obtained modified Gaudin models to the modified Schlesinger systems. Next, we notice that the identities underlying generic (elliptic) KZB equations follow from some additional relations for the properly normalized R-matrices. The relations are noncommutative analogues of identities for (scalar) elliptic functions. The simplest one is the unitarity condition. The quadratic (in R matrices) relations are generated by noncommutative Fay identities. In particular, one can derive the quantum Yang-Baxter equations from the Fay identities. The cubic relations provide identities for the KZB equations as well as quadratic relations for the classical r-matrices which can be treated as halves of the classical Yang-Baxter equation. At last we discuss the R-matrix valued linear problems which provide gl Ñ CM models and Painlevé equations via the above mentioned identities. The role of the spectral parameter plays the Planck constant of the quantum R-matrix. When the quantum gl N R-matrix is scalar ( N = 1) the linear problem reproduces the Krichever's ansatz for the Lax matrices with spectral parameter for the gl Ñ CM models. The linear problems for the quantum CM models generalize the KZ equations in the same way as the Lax pairs with spectral parameter generalize those without it.

  20. Development of organic non-flammable spacecraft potting, encapsulating and conformal coating compounds

    NASA Technical Reports Server (NTRS)

    Lieberman, S. L.

    1971-01-01

    The overall program objective was to develop a flexible compound which not only functioned in a manned aerospace environment as an effective electrical insulation, but whose flammability characteristics in 16.5 psia, 60% oxygen/40% nitrogen were evidenced by rapid self-extinguishment and minimal thermal (pyrolysis) degradation. The following polymeric matrices were examined in depth: fluoroelastomers, modified fluoroelastomers, silicone RTV's, and modified silicone and fluorosilicone RTV's. Almost none of these systems burned in air, but all burned in 6.2 psia oxygen. Inorganic, organic, and inorganic/organic additives were evaluated in conjunction with these polymers in order to achieve the required survival in the 16.5 psia 60/40 environment. Depending upon formulations, it was possible to achieve nonflammable products when tested in the 1/4 in. x 1/4 in. x 1 in. configuration, even up to and including 16.5 psia oxygen. However, in order to assure this level of flame resistance, it was found necessary to heavily load the matrix with the additives. This resulted in a significant reduction in mechanical properties and large increases in viscosities. Optimization of formulations to obtain a suitable balance between these properties and flammability resistance led to the final selection of Formulation 387 as the primary system.

  1. Prediction of Ras-effector interactions using position energy matrices.

    PubMed

    Kiel, Christina; Serrano, Luis

    2007-09-01

    One of the more challenging problems in biology is to determine the cellular protein interaction network. Progress has been made to predict protein-protein interactions based on structural information, assuming that structural similar proteins interact in a similar way. In a previous publication, we have determined a genome-wide Ras-effector interaction network based on homology models, with a high accuracy of predicting binding and non-binding domains. However, for a prediction on a genome-wide scale, homology modelling is a time-consuming process. Therefore, we here successfully developed a faster method using position energy matrices, where based on different Ras-effector X-ray template structures, all amino acids in the effector binding domain are sequentially mutated to all other amino acid residues and the effect on binding energy is calculated. Those pre-calculated matrices can then be used to score for binding any Ras or effector sequences. Based on position energy matrices, the sequences of putative Ras-binding domains can be scanned quickly to calculate an energy sum value. By calibrating energy sum values using quantitative experimental binding data, thresholds can be defined and thus non-binding domains can be excluded quickly. Sequences which have energy sum values above this threshold are considered to be potential binding domains, and could be further analysed using homology modelling. This prediction method could be applied to other protein families sharing conserved interaction types, in order to determine in a fast way large scale cellular protein interaction networks. Thus, it could have an important impact on future in silico structural genomics approaches, in particular with regard to increasing structural proteomics efforts, aiming to determine all possible domain folds and interaction types. All matrices are deposited in the ADAN database (http://adan-embl.ibmc.umh.es/). Supplementary data are available at Bioinformatics online.

  2. A visual detection model for DCT coefficient quantization

    NASA Technical Reports Server (NTRS)

    Ahumada, Albert J., Jr.; Watson, Andrew B.

    1994-01-01

    The discrete cosine transform (DCT) is widely used in image compression and is part of the JPEG and MPEG compression standards. The degree of compression and the amount of distortion in the decompressed image are controlled by the quantization of the transform coefficients. The standards do not specify how the DCT coefficients should be quantized. One approach is to set the quantization level for each coefficient so that the quantization error is near the threshold of visibility. Results from previous work are combined to form the current best detection model for DCT coefficient quantization noise. This model predicts sensitivity as a function of display parameters, enabling quantization matrices to be designed for display situations varying in luminance, veiling light, and spatial frequency related conditions (pixel size, viewing distance, and aspect ratio). It also allows arbitrary color space directions for the representation of color. A model-based method of optimizing the quantization matrix for an individual image was developed. The model described above provides visual thresholds for each DCT frequency. These thresholds are adjusted within each block for visual light adaptation and contrast masking. For given quantization matrix, the DCT quantization errors are scaled by the adjusted thresholds to yield perceptual errors. These errors are pooled nonlinearly over the image to yield total perceptual error. With this model one may estimate the quantization matrix for a particular image that yields minimum bit rate for a given total perceptual error, or minimum perceptual error for a given bit rate. Custom matrices for a number of images show clear improvement over image-independent matrices. Custom matrices are compatible with the JPEG standard, which requires transmission of the quantization matrix.

  3. Substituted amylose matrices for oral drug delivery

    NASA Astrophysics Data System (ADS)

    Moghadam, S. H.; Wang, H. W.; Saddar El-Leithy, E.; Chebli, C.; Cartilier, L.

    2007-03-01

    High amylose corn starch was used to obtain substituted amylose (SA) polymers by chemically modifying hydroxyl groups by an etherification process using 1,2-epoxypropanol. Tablets for drug-controlled release were prepared by direct compression and their release properties assessed by an in vitro dissolution test (USP XXIII no 2). The polymer swelling was characterized by measuring gravimetrically the water uptake ability of polymer tablets. SA hydrophilic matrix tablets present sequentially a burst effect, typical of hydrophilic matrices, and a near constant release, typical of reservoir systems. After the burst effect, surface pores disappear progressively by molecular association of amylose chains; this allows the creation of a polymer layer acting as a diffusion barrier and explains the peculiar behaviour of SA polymers. Several formulation parameters such as compression force, drug loading, tablet weight and insoluble diluent concentration were investigated. On the other hand, tablet thickness, scanning electron microscope analysis and mercury intrusion porosimetry showed that the high crushing strength values observed for SA tablets were due to an unusual melting process occurring during tabletting although the tablet external layer went only through densification, deformation and partial melting. In contrast, HPMC tablets did not show any traces of a melting process.

  4. Study of the voltammetric behaviour of the ethalfluralin and methalpropalin and its determination in environmental matrices at hanging mercury drop electrode.

    PubMed

    Thriveni, T; Kumar, J Rajesh; Lee, Jin Young; Sreedhar, N Y

    2009-04-01

    An electroanalytical method has been developed for the determination of the herbicides ethalfluralin[N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl) bezenamine] and methalpropalin [N-(2-methyl-2-propenyl)-2, 6-dinitro-N-propyl-4 (trifluoromethyl) benzenamine] by differential pulse adsorptive stripping voltammetry (DP-AdSV) on a hanging mercury drop electrode (HMDE) with universal buffer as supporting electrolyte. The optimum adsorption conditions were found to be pH 6.0, an accumulation potential of -0.6 V (HMDE vs SCE), an accumulation time of 80 s. and scan rate 45 mVs(-1). Calibration curve is linear in the range 1.30 x 10(-9) to 1.32 x 10(-5) M of ethalfluralin and 1.13 x 10(-5) to 2.0 x 10(-8) M of methalpropalin with detection limits of 1.08 x 10(-9) and 1.87 x 10(-8) M, respectively. The relative SD and correlation coefficients were found to be 1.24%, 0.998 and 1.34%, 0.995, respectively for ten replicates. The method is applied to the determination of the ethalfluralin and methalpropalin in formulations and environmental matrices.

  5. Generalized Lee-Wick formulation from higher derivative field theories

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

    Cho, Inyong; Kwon, O-Kab; Department of Physics, BK21 Physics Research Division, Institute of Basic Science, Sungkyunkwan University, Suwon 440-746

    2010-07-15

    We study a higher derivative (HD) field theory with an arbitrary order of derivative for a real scalar field. The degree of freedom for the HD field can be converted to multiple fields with canonical kinetic terms up to the overall sign. The Lagrangian describing the dynamics of the multiple fields is known as the Lee-Wick (LW) form. The first step to obtain the LW form for a given HD Lagrangian is to find an auxiliary field (AF) Lagrangian which is equivalent to the original HD Lagrangian up to the quantum level. Until now, the AF Lagrangian has been studiedmore » only for N=2 and 3 cases, where N is the number of poles of the two-point function of the HD scalar field. We construct the AF Lagrangian for arbitrary N. By the linear combinations of AF fields, we also obtain the corresponding LW form. We find the explicit mapping matrices among the HD fields, the AF fields, and the LW fields. As an exercise of our construction, we calculate the relations among parameters and mapping matrices for N=2, 3, and 4 cases.« less

  6. Melt-processed polymeric cellular dosage forms for immediate drug release.

    PubMed

    Blaesi, Aron H; Saka, Nannaji

    2015-12-28

    The present immediate-release solid dosage forms, such as the oral tablets and capsules, comprise granular matrices. While effective in releasing the drug rapidly, they are fraught with difficulties inherent in processing particulate matter. By contrast, liquid-based processes would be far more predictable; but the standard cast microstructures are unsuited for immediate-release because they resist fluid percolation and penetration. In this article, we introduce cellular dosage forms that can be readily prepared from polymeric melts by incorporating the nucleation, growth, and coalescence of microscopic gas bubbles in a molding process. We show that the cell topology and formulation of such cellular structures can be engineered to reduce the length-scale of the mass-transfer step, which determines the time of drug release, from as large as the dosage form itself to as small as the thickness of the cell wall. This allows the cellular dosage forms to achieve drug release rates over an order of magnitude faster compared with those of cast matrices, spanning the entire spectrum of immediate-release and beyond. The melt-processed polymeric cellular dosage forms enable predictive design of immediate-release solid dosage forms by tailoring microstructures, and could be manufactured efficiently in a single step.

  7. Trace Norm Regularized CANDECOMP/PARAFAC Decomposition With Missing Data.

    PubMed

    Liu, Yuanyuan; Shang, Fanhua; Jiao, Licheng; Cheng, James; Cheng, Hong

    2015-11-01

    In recent years, low-rank tensor completion (LRTC) problems have received a significant amount of attention in computer vision, data mining, and signal processing. The existing trace norm minimization algorithms for iteratively solving LRTC problems involve multiple singular value decompositions of very large matrices at each iteration. Therefore, they suffer from high computational cost. In this paper, we propose a novel trace norm regularized CANDECOMP/PARAFAC decomposition (TNCP) method for simultaneous tensor decomposition and completion. We first formulate a factor matrix rank minimization model by deducing the relation between the rank of each factor matrix and the mode- n rank of a tensor. Then, we introduce a tractable relaxation of our rank function, and then achieve a convex combination problem of much smaller-scale matrix trace norm minimization. Finally, we develop an efficient algorithm based on alternating direction method of multipliers to solve our problem. The promising experimental results on synthetic and real-world data validate the effectiveness of our TNCP method. Moreover, TNCP is significantly faster than the state-of-the-art methods and scales to larger problems.

  8. Autonomic Closure for Turbulent Flows Using Approximate Bayesian Computation

    NASA Astrophysics Data System (ADS)

    Doronina, Olga; Christopher, Jason; Hamlington, Peter; Dahm, Werner

    2017-11-01

    Autonomic closure is a new technique for achieving fully adaptive and physically accurate closure of coarse-grained turbulent flow governing equations, such as those solved in large eddy simulations (LES). Although autonomic closure has been shown in recent a priori tests to more accurately represent unclosed terms than do dynamic versions of traditional LES models, the computational cost of the approach makes it challenging to implement for simulations of practical turbulent flows at realistically high Reynolds numbers. The optimization step used in the approach introduces large matrices that must be inverted and is highly memory intensive. In order to reduce memory requirements, here we propose to use approximate Bayesian computation (ABC) in place of the optimization step, thereby yielding a computationally-efficient implementation of autonomic closure that trades memory-intensive for processor-intensive computations. The latter challenge can be overcome as co-processors such as general purpose graphical processing units become increasingly available on current generation petascale and exascale supercomputers. In this work, we outline the formulation of ABC-enabled autonomic closure and present initial results demonstrating the accuracy and computational cost of the approach.

  9. Sensor fault diagnosis of singular delayed LPV systems with inexact parameters: an uncertain system approach

    NASA Astrophysics Data System (ADS)

    Hassanabadi, Amir Hossein; Shafiee, Masoud; Puig, Vicenc

    2018-01-01

    In this paper, sensor fault diagnosis of a singular delayed linear parameter varying (LPV) system is considered. In the considered system, the model matrices are dependent on some parameters which are real-time measurable. The case of inexact parameter measurements is considered which is close to real situations. Fault diagnosis in this system is achieved via fault estimation. For this purpose, an augmented system is created by including sensor faults as additional system states. Then, an unknown input observer (UIO) is designed which estimates both the system states and the faults in the presence of measurement noise, disturbances and uncertainty induced by inexact measured parameters. Error dynamics and the original system constitute an uncertain system due to inconsistencies between real and measured values of the parameters. Then, the robust estimation of the system states and the faults are achieved with H∞ performance and formulated with a set of linear matrix inequalities (LMIs). The designed UIO is also applicable for fault diagnosis of singular delayed LPV systems with unmeasurable scheduling variables. The efficiency of the proposed approach is illustrated with an example.

  10. The Shortened Raven Standard Progressive Matrices: Item Response Theory-Based Psychometric Analyses and Normative Data

    ERIC Educational Resources Information Center

    Van der Elst, Wim; Ouwehand, Carolijn; van Rijn, Peter; Lee, Nikki; Van Boxtel, Martin; Jolles, Jelle

    2013-01-01

    The purpose of the present study was to evaluate the psychometric properties of a shortened version of the Raven Standard Progressive Matrices (SPM) under an item response theory framework (the one- and two-parameter logistic models). The shortened Raven SPM was administered to N = 453 cognitively healthy adults aged between 24 and 83 years. The…

  11. Ultra low concentration deltamethrin loaded patch development and evaluation of its repellency against dengue vector Aedes (S) albopictus

    PubMed Central

    2013-01-01

    Background Mosquito repellents and emanators confer protection against mosquito bites through spatial action of emanated vapours which are released into the adjoining environment. Synthetic insecticides released into the environment in ultra low volume vapour phase deter the mosquitoes from biting humans in a protected space. Methods Formulation patches were prepared using the solvent evaporation method over a backing membrane and using Dibutylphthalate (DBT) as a plasticizer. The effect of formulation variables on the deltamethrin release from the patch matrices were studied under accelerated conditions, whereas, HPLC was used for quantitative estimation of deltamethrin. The prepared patch formulations were subjected to physicochemical studies, such as, deltamethrin content, thickness, weight variation, percent moisture content, moisture uptake, surface area and surface pH determination. Deltamethrin-polymer interaction and compatibility was ascertained using DSC and FT-IR, while surface morphology and deltamethrin distribution in the patch were studied using SEM technique. Repellent activity of the patch formulations was evaluated against Ae. albopictus mosquitoes. Results Blends of polymeric combinations of polyvinylpyrrolidone (PVP) and ethyl-cellulose (EC) with admixture of deltamethrin provided prolonged repellent activity against Ae. albopictus mosquitoes. Physicochemical characterisation indicated the suitability of deltamethrin patch formulation with the polymeric combinations of PVP and EC. Patches were very effective against laboratory reared Ae. albopictus mosquitoes. No significant difference was observed between the performance of test patches and commercially available repellent cream Mosqshield®. Conclusion Deltamethrin loaded patches provided effective repellency against Ae. albopictus mosquitoes. The study emphasised that deltamethrin released to the environment in low concentration could be an excellent spatial repellent against hematophagous mosquitoes. PMID:24289656

  12. A two-dimensional Riemann solver with self-similar sub-structure - Alternative formulation based on least squares projection

    NASA Astrophysics Data System (ADS)

    Balsara, Dinshaw S.; Vides, Jeaniffer; Gurski, Katharine; Nkonga, Boniface; Dumbser, Michael; Garain, Sudip; Audit, Edouard

    2016-01-01

    Just as the quality of a one-dimensional approximate Riemann solver is improved by the inclusion of internal sub-structure, the quality of a multidimensional Riemann solver is also similarly improved. Such multidimensional Riemann problems arise when multiple states come together at the vertex of a mesh. The interaction of the resulting one-dimensional Riemann problems gives rise to a strongly-interacting state. We wish to endow this strongly-interacting state with physically-motivated sub-structure. The self-similar formulation of Balsara [16] proves especially useful for this purpose. While that work is based on a Galerkin projection, in this paper we present an analogous self-similar formulation that is based on a different interpretation. In the present formulation, we interpret the shock jumps at the boundary of the strongly-interacting state quite literally. The enforcement of the shock jump conditions is done with a least squares projection (Vides, Nkonga and Audit [67]). With that interpretation, we again show that the multidimensional Riemann solver can be endowed with sub-structure. However, we find that the most efficient implementation arises when we use a flux vector splitting and a least squares projection. An alternative formulation that is based on the full characteristic matrices is also presented. The multidimensional Riemann solvers that are demonstrated here use one-dimensional HLLC Riemann solvers as building blocks. Several stringent test problems drawn from hydrodynamics and MHD are presented to show that the method works. Results from structured and unstructured meshes demonstrate the versatility of our method. The reader is also invited to watch a video introduction to multidimensional Riemann solvers on http://www.nd.edu/ dbalsara/Numerical-PDE-Course.

  13. Effect of aggregation form on bioavailability of zeaxanthin in humans: a randomised cross-over study.

    PubMed

    Hempel, Judith; Fischer, Anja; Fischer, Monique; Högel, Josef; Bosy-Westphal, Anja; Carle, Reinhold; Schweiggert, Ralf M

    2017-11-01

    Carotenoid bioavailability from plant and animal food is highly variable depending on numerous factors such as the physical deposition form of carotenoids. As the carotenoid zeaxanthin is believed to play an important role in eye and brain health, we sought to compare the human bioavailability of an H-aggregated with that of a J-aggregated deposition form of zeaxanthin encapsulated into identical formulation matrices. A randomised two-way cross-over study with sixteen participants was designed to compare the post-prandial bioavailability of an H-aggregated zeaxanthin and a J-aggregated zeaxanthin dipalmitate formulation, both delivering 10 mg of free zeaxanthin. Carotenoid levels in TAG-rich lipoprotein fractions were analysed over 9·5 h after test meal consumption. Bioavailability from the J-aggregated formulation (AUC=55·9 nmol h/l) was 23 % higher than from the H-aggregated one (AUC=45·5 nmol h/l), although being only marginally significant (P=0·064). Furthermore, the same formulations were subjected to an internationally recognised in vitro digestion protocol to reveal potential strengths and weaknesses of simulated digestions. In agreement with our human study, liberation of zeaxanthin from the J-aggregated formulation into the simulated duodenal fluids was superior to that from the H-aggregated form. However, micellization rate (bioaccessibility) of the J-aggregated zeaxanthin dipalmitate was lower than that of the H-aggregated zeaxanthin, being contradictory to our in vivo results. An insufficient ester cleavage during simulated digestion was suggested to be the root cause for these observations. In brief, combining our in vitro and in vivo observations, the effect of the different aggregation forms on human bioavailability was lower than expected.

  14. Random density matrices versus random evolution of open system

    NASA Astrophysics Data System (ADS)

    Pineda, Carlos; Seligman, Thomas H.

    2015-10-01

    We present and compare two families of ensembles of random density matrices. The first, static ensemble, is obtained foliating an unbiased ensemble of density matrices. As criterion we use fixed purity as the simplest example of a useful convex function. The second, dynamic ensemble, is inspired in random matrix models for decoherence where one evolves a separable pure state with a random Hamiltonian until a given value of purity in the central system is achieved. Several families of Hamiltonians, adequate for different physical situations, are studied. We focus on a two qubit central system, and obtain exact expressions for the static case. The ensemble displays a peak around Werner-like states, modulated by nodes on the degeneracies of the density matrices. For moderate and strong interactions good agreement between the static and the dynamic ensembles is found. Even in a model where one qubit does not interact with the environment excellent agreement is found, but only if there is maximal entanglement with the interacting one. The discussion is started recalling similar considerations for scattering theory. At the end, we comment on the reach of the results for other convex functions of the density matrix, and exemplify the situation with the von Neumann entropy.

  15. VX fate on common matrices: evaporation versus degradation.

    PubMed

    Columbus, Ishay; Waysbort, Daniel; Marcovitch, Itzhak; Yehezkel, Lea; Mizrahi, Dana M

    2012-04-03

    A study of the volatilization rate of the nerve agent VX (O-ethyl S-2-(N,N-diisopropylamino)ethyl methylphosphonothiolate) from various urban matrices in a specially designed climatic chamber (model system) is described. The performance of the model system combined with the analytical procedure produced profiles of vapor concentration obtained from samples of VX dispersed as small droplets on the surfaces of the matrices. The results indicated that the bitumen-containing surfaces such as asphalt blocks and bitumen sheets conserve VX and slow-release part of it over a long period of time. No complete mass balance could be obtained for these surfaces. Influence of environmental and experimental parameters as well as the efficacy of decontamination procedure were also measured. From smooth surface tiles a fast release of VX was measured and almost a complete mass balance was obtained, which characterizes the behavior of inert surfaces. Experiments carried out on concrete blocks showed fast decay of the concentration profile along with a very poor reconstruction of the initial quantity of VX, implying that this matrix degraded VX actively due to its multiple basic catalytic sites. To complement this study, solid-state NMR measurements were compared to add data concerning agent-fate within the matrices.

  16. Hurwitz numbers and products of random matrices

    NASA Astrophysics Data System (ADS)

    Orlov, A. Yu.

    2017-09-01

    We study multimatrix models, which may be viewed as integrals of products of tau functions depending on the eigenvalues of products of random matrices. We consider tau functions of the two-component Kadomtsev-Petviashvili (KP) hierarchy (semi-infinite relativistic Toda lattice) and of the B-type KP (BKP) hierarchy introduced by Kac and van de Leur. Such integrals are sometimes tau functions themselves. We consider models that generate Hurwitz numbers HE,F, where E is the Euler characteristic of the base surface and F is the number of branch points. We show that in the case where the integrands contain the product of n > 2 matrices, the integral generates Hurwitz numbers with E ≤ 2 and F ≤ n+2. Both the numbers E and F depend both on n and on the order of the factors in the matrix product. The Euler characteristic E can be either an even or an odd number, i.e., it can match both orientable and nonorientable (Klein) base surfaces depending on the presence of the tau function of the BKP hierarchy in the integrand. We study two cases, the products of complex and the products of unitary matrices.

  17. Bi-dimensional null model analysis of presence-absence binary matrices.

    PubMed

    Strona, Giovanni; Ulrich, Werner; Gotelli, Nicholas J

    2018-01-01

    Comparing the structure of presence/absence (i.e., binary) matrices with those of randomized counterparts is a common practice in ecology. However, differences in the randomization procedures (null models) can affect the results of the comparisons, leading matrix structural patterns to appear either "random" or not. Subjectivity in the choice of one particular null model over another makes it often advisable to compare the results obtained using several different approaches. Yet, available algorithms to randomize binary matrices differ substantially in respect to the constraints they impose on the discrepancy between observed and randomized row and column marginal totals, which complicates the interpretation of contrasting patterns. This calls for new strategies both to explore intermediate scenarios of restrictiveness in-between extreme constraint assumptions, and to properly synthesize the resulting information. Here we introduce a new modeling framework based on a flexible matrix randomization algorithm (named the "Tuning Peg" algorithm) that addresses both issues. The algorithm consists of a modified swap procedure in which the discrepancy between the row and column marginal totals of the target matrix and those of its randomized counterpart can be "tuned" in a continuous way by two parameters (controlling, respectively, row and column discrepancy). We show how combining the Tuning Peg with a wise random walk procedure makes it possible to explore the complete null space embraced by existing algorithms. This exploration allows researchers to visualize matrix structural patterns in an innovative bi-dimensional landscape of significance/effect size. We demonstrate the rational and potential of our approach with a set of simulated and real matrices, showing how the simultaneous investigation of a comprehensive and continuous portion of the null space can be extremely informative, and possibly key to resolving longstanding debates in the analysis of ecological matrices. © 2017 The Authors. Ecology, published by Wiley Periodicals, Inc., on behalf of the Ecological Society of America.

  18. Use of system identification techniques for improving airframe finite element models using test data

    NASA Technical Reports Server (NTRS)

    Hanagud, Sathya V.; Zhou, Weiyu; Craig, James I.; Weston, Neil J.

    1991-01-01

    A method for using system identification techniques to improve airframe finite element models was developed and demonstrated. The method uses linear sensitivity matrices to relate changes in selected physical parameters to changes in total system matrices. The values for these physical parameters were determined using constrained optimization with singular value decomposition. The method was confirmed using both simple and complex finite element models for which pseudo-experimental data was synthesized directly from the finite element model. The method was then applied to a real airframe model which incorporated all the complexities and details of a large finite element model and for which extensive test data was available. The method was shown to work, and the differences between the identified model and the measured results were considered satisfactory.

  19. Closed-loop stability of linear quadratic optimal systems in the presence of modeling errors

    NASA Technical Reports Server (NTRS)

    Toda, M.; Patel, R.; Sridhar, B.

    1976-01-01

    The well-known stabilizing property of linear quadratic state feedback design is utilized to evaluate the robustness of a linear quadratic feedback design in the presence of modeling errors. Two general conditions are obtained for allowable modeling errors such that the resulting closed-loop system remains stable. One of these conditions is applied to obtain two more particular conditions which are readily applicable to practical situations where a designer has information on the bounds of modeling errors. Relations are established between the allowable parameter uncertainty and the weighting matrices of the quadratic performance index, thereby enabling the designer to select appropriate weighting matrices to attain a robust feedback design.

  20. Storage strategies of eddy-current FE-BI model for GPU implementation

    NASA Astrophysics Data System (ADS)

    Bardel, Charles; Lei, Naiguang; Udpa, Lalita

    2013-01-01

    In the past few years graphical processing units (GPUs) have shown tremendous improvements in computational throughput over standard CPU architecture. However, this comes at the cost of restructuring the algorithms to meet the strengths and drawbacks of this GPU architecture. A major drawback is the state of limited memory, and hence storage of FE stiffness matrices on the GPU is important. In contrast to storage on CPU the GPU storage format has significant influence on the overall performance. This paper presents an investigation of a storage strategy in the implementation of a two-dimensional finite element-boundary integral (FE-BI) model for Eddy current NDE applications, on GPU architecture. Specifically, the high dimensional matrices are manipulated by examining the matrix structure and optimally splitting into structurally independent component matrices for efficient storage and retrieval of each component. Results obtained using the proposed approach are compared to those of conventional CPU implementation for validating the method.

  1. Synergistic activity of tenofovir and nevirapine combinations released from polycaprolactone matrices for potential enhanced prevention of HIV infection through the vaginal route.

    PubMed

    Dang, Nhung T T; Sivakumaran, Haran; Harrich, David; Shaw, Paul N; Davis-Poynter, Nicholas; Coombes, Allan G A

    2014-10-01

    Polycaprolactone (PCL) matrices were simultaneously loaded with the antiviral agents, tenofovir (TFV) and nevirapine (NVP), in combination to provide synergistic activity in the prevention of HIV transmission through the vaginal route. TFV and NVP were incorporated in PCL matrices at theoretical loadings of 10%TFV-10% NVP, 5%TFV-5%NVP and 5%TFV-10%NVP, measured with respect to the PCL content of the matrices. Actual TFV loadings ranged from 2.1% to 4.2% equating to loading efficiencies of about 41-42%. The actual loadings of NVP were around half those of TFV (1.2-1.9%), resulting in loading efficiencies ranging from 17.2% to 23.5%. Approximately 80% of the initial content of TFV was released from the PCL matrices into simulated vaginal fluid (SVF) over a period of 30 days, which was almost double the cumulative release of NVP (40-45%). The release kinetics of both antivirals over 30 days were found to be described most satisfactorily by the Higuchi model. In vitro assay of release media containing combinations of TFV and NVP released from PCL matrices confirmed a potential synergistic/additive effect of the released antivirals on HIV-1 infection of HeLa cells. These findings indicate that PCL matrices loaded with combinations of TFV and NVP provide an effective strategy for the sustained vaginal delivery of antivirals with synergistic/additive activity. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors

    NASA Astrophysics Data System (ADS)

    Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

    2017-11-01

    Dyson demonstrated an equivalence between infinite-range Coulomb gas models and classical random matrix ensembles for the study of eigenvalue statistics. We introduce finite-range Coulomb gas (FRCG) models via a Brownian matrix process, and study them analytically and by Monte Carlo simulations. These models yield new universality classes, and provide a theoretical framework for the study of banded random matrices (BRMs) and quantum kicked rotors (QKRs). We demonstrate that, for a BRM of bandwidth b and a QKR of chaos parameter α , the appropriate FRCG model has the effective range d =b2/N =α2/N , for large N matrix dimensionality. As d increases, there is a transition from Poisson to classical random matrix statistics.

  3. Finite-range Coulomb gas models of banded random matrices and quantum kicked rotors.

    PubMed

    Pandey, Akhilesh; Kumar, Avanish; Puri, Sanjay

    2017-11-01

    Dyson demonstrated an equivalence between infinite-range Coulomb gas models and classical random matrix ensembles for the study of eigenvalue statistics. We introduce finite-range Coulomb gas (FRCG) models via a Brownian matrix process, and study them analytically and by Monte Carlo simulations. These models yield new universality classes, and provide a theoretical framework for the study of banded random matrices (BRMs) and quantum kicked rotors (QKRs). We demonstrate that, for a BRM of bandwidth b and a QKR of chaos parameter α, the appropriate FRCG model has the effective range d=b^{2}/N=α^{2}/N, for large N matrix dimensionality. As d increases, there is a transition from Poisson to classical random matrix statistics.

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

    Padmaja, S.; Jayakumar, S., E-mail: s_jayakumar_99@yahoo.com; Balaji, R.

    Cadmium Sulphide (CdS) nanoparticles were reinforced in Poly(ethylene Oxide) (PEO) and Poly(methyl methacrylate) (PMMA) matrices by in situ technique. The presence of CdS in PEO and PMMA matrix was confirmed using X-ray photoelectron spectroscopy (XPS). Fourier Transform Infrared spectroscopy (FTIR) analysis disclosed the co-ordination of CdS in the matrices. Thermal analysis of the nanocomposites was carried out using Differential Scanning calorimetric studies (DSC). The optical studies using UV–vis spectroscopy were carried out to find the band gap of the materials and the absorption onset. The CdS particle size in the matrices was found by Effective Mass Approximation (EMA) model usingmore » the band gap values and was confirmed by TEM studies. The surface trapped emissions of the nanocomposites were observed from the photoluminescence (PL) spectra. The distribution of CdS particles in the polymer matrices were presented by Atomic force microscopic studies (AFM).« less

  5. The origin of mass

    NASA Astrophysics Data System (ADS)

    Froggatt*, C. D.

    2003-01-01

    The quark-lepton mass problem and the ideas of mass protection are reviewed. The hierarchy problem and suggestions for its resolution, including Little Higgs models, are discussed. The Multiple Point Principle (MPP) is introduced and used within the Standard Model (SM) to predict the top quark and Higgs particle masses. Mass matrix ansätze are considered; in particular we discuss the lightest family mass generation model, in which all the quark mixing angles are successfully expressed in terms of simple expressions involving quark mass ratios. It is argued that an underlying chiral flavour symmetry is responsible for the hierarchical texture of the fermion mass matrices. The phenomenology of neutrino mass matrices is briefly discussed.

  6. Optimizing location of manufacturing industries in the context of economic globalization: A bi-level model based approach

    NASA Astrophysics Data System (ADS)

    Wu, Shanhua; Yang, Zhongzhen

    2018-07-01

    This paper aims to optimize the locations of manufacturing industries in the context of economic globalization by proposing a bi-level programming model which integrates the location optimization model with the traffic assignment model. In the model, the transport network is divided into the subnetworks of raw materials and products respectively. The upper-level model is used to determine the location of industries and the OD matrices of raw materials and products. The lower-level model is used to calculate the attributes of traffic flow under given OD matrices. To solve the model, the genetic algorithm is designed. The proposed method is tested using the Chinese steel industry as an example. The result indicates that the proposed method could help the decision-makers to implement the location decisions for the manufacturing industries effectively.

  7. Geomagnetic modeling by optimal recursive filtering

    NASA Technical Reports Server (NTRS)

    Gibbs, B. P.; Estes, R. H.

    1981-01-01

    The results of a preliminary study to determine the feasibility of using Kalman filter techniques for geomagnetic field modeling are given. Specifically, five separate field models were computed using observatory annual means, satellite, survey and airborne data for the years 1950 to 1976. Each of the individual field models used approximately five years of data. These five models were combined using a recursive information filter (a Kalman filter written in terms of information matrices rather than covariance matrices.) The resulting estimate of the geomagnetic field and its secular variation was propogated four years past the data to the time of the MAGSAT data. The accuracy with which this field model matched the MAGSAT data was evaluated by comparisons with predictions from other pre-MAGSAT field models. The field estimate obtained by recursive estimation was found to be superior to all other models.

  8. Adaptive framework to better characterize errors of apriori fluxes and observational residuals in a Bayesian setup for the urban flux inversions.

    NASA Astrophysics Data System (ADS)

    Ghosh, S.; Lopez-Coto, I.; Prasad, K.; Karion, A.; Mueller, K.; Gourdji, S.; Martin, C.; Whetstone, J. R.

    2017-12-01

    The National Institute of Standards and Technology (NIST) supports the North-East Corridor Baltimore Washington (NEC-B/W) project and Indianapolis Flux Experiment (INFLUX) aiming to quantify sources of Greenhouse Gas (GHG) emissions as well as their uncertainties. These projects employ different flux estimation methods including top-down inversion approaches. The traditional Bayesian inversion method estimates emission distributions by updating prior information using atmospheric observations of Green House Gases (GHG) coupled to an atmospheric and dispersion model. The magnitude of the update is dependent upon the observed enhancement along with the assumed errors such as those associated with prior information and the atmospheric transport and dispersion model. These errors are specified within the inversion covariance matrices. The assumed structure and magnitude of the specified errors can have large impact on the emission estimates from the inversion. The main objective of this work is to build a data-adaptive model for these covariances matrices. We construct a synthetic data experiment using a Kalman Filter inversion framework (Lopez et al., 2017) employing different configurations of transport and dispersion model and an assumed prior. Unlike previous traditional Bayesian approaches, we estimate posterior emissions using regularized sample covariance matrices associated with prior errors to investigate whether the structure of the matrices help to better recover our hypothetical true emissions. To incorporate transport model error, we use ensemble of transport models combined with space-time analytical covariance to construct a covariance that accounts for errors in space and time. A Kalman Filter is then run using these covariances along with Maximum Likelihood Estimates (MLE) of the involved parameters. Preliminary results indicate that specifying sptio-temporally varying errors in the error covariances can improve the flux estimates and uncertainties. We also demonstrate that differences between the modeled and observed meteorology can be used to predict uncertainties associated with atmospheric transport and dispersion modeling which can help improve the skill of an inversion at urban scales.

  9. Disentangling giant component and finite cluster contributions in sparse random matrix spectra.

    PubMed

    Kühn, Reimer

    2016-04-01

    We describe a method for disentangling giant component and finite cluster contributions to sparse random matrix spectra, using sparse symmetric random matrices defined on Erdős-Rényi graphs as an example and test bed. Our methods apply to sparse matrices defined in terms of arbitrary graphs in the configuration model class, as long as they have finite mean degree.

  10. Refined elasticity sampling for Monte Carlo-based identification of stabilizing network patterns.

    PubMed

    Childs, Dorothee; Grimbs, Sergio; Selbig, Joachim

    2015-06-15

    Structural kinetic modelling (SKM) is a framework to analyse whether a metabolic steady state remains stable under perturbation, without requiring detailed knowledge about individual rate equations. It provides a representation of the system's Jacobian matrix that depends solely on the network structure, steady state measurements, and the elasticities at the steady state. For a measured steady state, stability criteria can be derived by generating a large number of SKMs with randomly sampled elasticities and evaluating the resulting Jacobian matrices. The elasticity space can be analysed statistically in order to detect network positions that contribute significantly to the perturbation response. Here, we extend this approach by examining the kinetic feasibility of the elasticity combinations created during Monte Carlo sampling. Using a set of small example systems, we show that the majority of sampled SKMs would yield negative kinetic parameters if they were translated back into kinetic models. To overcome this problem, a simple criterion is formulated that mitigates such infeasible models. After evaluating the small example pathways, the methodology was used to study two steady states of the neuronal TCA cycle and the intrinsic mechanisms responsible for their stability or instability. The findings of the statistical elasticity analysis confirm that several elasticities are jointly coordinated to control stability and that the main source for potential instabilities are mutations in the enzyme alpha-ketoglutarate dehydrogenase. © The Author 2015. Published by Oxford University Press.

  11. QUADRO: A SUPERVISED DIMENSION REDUCTION METHOD VIA RAYLEIGH QUOTIENT OPTIMIZATION

    PubMed Central

    Fan, Jianqing; Ke, Zheng Tracy; Liu, Han; Xia, Lucy

    2016-01-01

    We propose a novel Rayleigh quotient based sparse quadratic dimension reduction method—named QUADRO (Quadratic Dimension Reduction via Rayleigh Optimization)—for analyzing high-dimensional data. Unlike in the linear setting where Rayleigh quotient optimization coincides with classification, these two problems are very different under nonlinear settings. In this paper, we clarify this difference and show that Rayleigh quotient optimization may be of independent scientific interests. One major challenge of Rayleigh quotient optimization is that the variance of quadratic statistics involves all fourth cross-moments of predictors, which are infeasible to compute for high-dimensional applications and may accumulate too many stochastic errors. This issue is resolved by considering a family of elliptical models. Moreover, for heavy-tail distributions, robust estimates of mean vectors and covariance matrices are employed to guarantee uniform convergence in estimating non-polynomially many parameters, even though only the fourth moments are assumed. Methodologically, QUADRO is based on elliptical models which allow us to formulate the Rayleigh quotient maximization as a convex optimization problem. Computationally, we propose an efficient linearized augmented Lagrangian method to solve the constrained optimization problem. Theoretically, we provide explicit rates of convergence in terms of Rayleigh quotient under both Gaussian and general elliptical models. Thorough numerical results on both synthetic and real datasets are also provided to back up our theoretical results. PMID:26778864

  12. A New and General Formulation of the Parametric HFGMC Micromechanical Method for Three-Dimensional Multi-Phase Composites

    NASA Technical Reports Server (NTRS)

    Haj-Ali, Rami; Aboudi, Jacob

    2012-01-01

    The recent two-dimensional (2-D) parametric formulation of the high fidelity generalized method of cells (HFGMC) reported by the authors is generalized for the micromechanical analysis of three-dimensional (3-D) multiphase composites with periodic microstructure. Arbitrary hexahedral subcell geometry is developed to discretize a triply periodic repeating unit-cell (RUC). Linear parametric-geometric mapping is employed to transform the arbitrary hexahedral subcell shapes from the physical space to an auxiliary orthogonal shape, where a complete quadratic displacement expansion is performed. Previously in the 2-D case, additional three equations are needed in the form of average moments of equilibrium as a result of the inclusion of the bilinear terms. However, the present 3-D parametric HFGMC formulation eliminates the need for such additional equations. This is achieved by expressing the coefficients of the full quadratic polynomial expansion of the subcell in terms of the side or face average-displacement vectors. The 2-D parametric and orthogonal HFGMC are special cases of the present 3-D formulation. The continuity of displacements and tractions, as well as the equilibrium equations, are imposed in the average (integral) sense as in the original HFGMC formulation. Each of the six sides (faces) of a subcell has an independent average displacement micro-variable vector which forms an energy-conjugate pair with the transformed average-traction vector. This allows generating symmetric stiffness matrices along with internal resisting vectors for the subcells which enhances the computational efficiency. The established new parametric 3-D HFGMC equations are formulated and solution implementations are addressed. Several applications for triply periodic 3-D composites are presented to demonstrate the general capability and varsity of the present parametric HFGMC method for refined micromechanical analysis by generating the spatial distributions of local stress fields. These applications include triply periodic composites with inclusions in the form of a cavity, spherical inclusion, ellipsoidal inclusion, discontinuous aligned short fiber. A 3-D repeating unit-cell for foam material composite is simulated.

  13. Deformed quantum double realization of the toric code and beyond

    NASA Astrophysics Data System (ADS)

    Padmanabhan, Pramod; Ibieta-Jimenez, Juan Pablo; Bernabe Ferreira, Miguel Jorge; Teotonio-Sobrinho, Paulo

    2016-09-01

    Quantum double models, such as the toric code, can be constructed from transfer matrices of lattice gauge theories with discrete gauge groups and parametrized by the center of the gauge group algebra and its dual. For general choices of these parameters the transfer matrix contains operators acting on links which can also be thought of as perturbations to the quantum double model driving it out of its topological phase and destroying the exact solvability of the quantum double model. We modify these transfer matrices with perturbations and extract exactly solvable models which remain in a quantum phase, thus nullifying the effect of the perturbation. The algebra of the modified vertex and plaquette operators now obey a deformed version of the quantum double algebra. The Abelian cases are shown to be in the quantum double phase whereas the non-Abelian phases are shown to be in a modified phase of the corresponding quantum double phase. These are illustrated with the groups Zn and S3. The quantum phases are determined by studying the excitations of these systems namely their fusion rules and the statistics. We then go further to construct a transfer matrix which contains the other Z2 phase namely the double semion phase. More generally for other discrete groups these transfer matrices contain the twisted quantum double models. These transfer matrices can be thought of as being obtained by introducing extra parameters into the transfer matrix of lattice gauge theories. These parameters are central elements belonging to the tensor products of the algebra and its dual and are associated to vertices and volumes of the three dimensional lattice. As in the case of the lattice gauge theories we construct the operators creating the excitations in this case and study their braiding and fusion properties.

  14. Golden rule kinetics of transfer reactions in condensed phase: The microscopic model of electron transfer reactions in disordered solid matrices

    NASA Astrophysics Data System (ADS)

    Basilevsky, M. V.; Odinokov, A. V.; Titov, S. V.; Mitina, E. A.

    2013-12-01

    The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, which describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ0 = ℏω0/kBT where ω0 is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ0 < 1 - 3) and for low (ξ0 ≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T → 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode/medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

  15. Golden rule kinetics of transfer reactions in condensed phase: the microscopic model of electron transfer reactions in disordered solid matrices.

    PubMed

    Basilevsky, M V; Odinokov, A V; Titov, S V; Mitina, E A

    2013-12-21

    The algorithm for a theoretical calculation of transfer reaction rates for light quantum particles (i.e., the electron and H-atom transfers) in non-polar solid matrices is formulated and justified. The mechanism postulated involves a local mode (an either intra- or inter-molecular one) serving as a mediator which accomplishes the energy exchange between the reacting high-frequency quantum mode and the phonon modes belonging to the environment. This approach uses as a background the Fermi golden rule beyond the usually applied spin-boson approximation. The dynamical treatment rests on the one-dimensional version of the standard quantum relaxation equation for the reduced density matrix, which describes the frequency fluctuation spectrum for the local mode under consideration. The temperature dependence of a reaction rate is controlled by the dimensionless parameter ξ0 = ℏω0/k(B)T where ω0 is the frequency of the local mode and T is the temperature. The realization of the computational scheme is different for the high/intermediate (ξ0 < 1 - 3) and for low (ξ0 ≫ 1) temperature ranges. For the first (quasi-classical) kinetic regime, the Redfield approximation to the solution of the relaxation equation proved to be sufficient and efficient in practical applications. The study of the essentially quantum-mechanical low-temperature kinetic regime in its asymptotic limit requires the implementation of the exact relaxation equation. The coherent mechanism providing a non-vanishing reaction rate has been revealed when T → 0. An accurate computational methodology for the cross-over kinetic regime needs a further elaboration. The original model of the hopping mechanism for electronic conduction in photosensitive organic materials is considered, based on the above techniques. The electron transfer (ET) in active centers of such systems proceeds via local intra- and intermolecular modes. The active modes, as a rule, operate beyond the kinetic regimes, which are usually postulated in the existing theories of the ET. Our alternative dynamic ET model for local modes immersed in the continuum harmonic medium is formulated for both classical and quantum regimes, and accounts explicitly for the mode∕medium interaction. The kinetics of the energy exchange between the local ET subsystem and the surrounding environment essentially determine the total ET rate. The efficient computer code for rate computations is elaborated on. The computations are available for a wide range of system parameters, such as the temperature, external field, local mode frequency, and characteristics of mode/medium interaction. The relation of the present approach to the Marcus ET theory and to the quantum-statistical reaction rate theory [V. G. Levich and R. R. Dogonadze, Dokl. Akad. Nauk SSSR, Ser. Fiz. Khim. 124, 213 (1959); J. Ulstrup, Charge Transfer in Condensed Media (Springer, Berlin, 1979); M. Bixon and J. Jortner, Adv. Chem. Phys. 106, 35 (1999)] underlying it is discussed and illustrated by the results of computations for practically important target systems.

  16. A linear complementarity method for the solution of vertical vehicle-track interaction

    NASA Astrophysics Data System (ADS)

    Zhang, Jian; Gao, Qiang; Wu, Feng; Zhong, Wan-Xie

    2018-02-01

    A new method is proposed for the solution of the vertical vehicle-track interaction including a separation between wheel and rail. The vehicle is modelled as a multi-body system using rigid bodies, and the track is treated as a three-layer beam model in which the rail is considered as an Euler-Bernoulli beam and both the sleepers and the ballast are represented by lumped masses. A linear complementarity formulation is directly established using a combination of the wheel-rail normal contact condition and the generalised-α method. This linear complementarity problem is solved using the Lemke algorithm, and the wheel-rail contact force can be obtained. Then the dynamic responses of the vehicle and the track are solved without iteration based on the generalised-α method. The same equations of motion for the vehicle and track are adopted at the different wheel-rail contact situations. This method can remove some restrictions, that is, time-dependent mass, damping and stiffness matrices of the coupled system, multiple equations of motion for the different contact situations and the effect of the contact stiffness. Numerical results demonstrate that the proposed method is effective for simulating the vehicle-track interaction including a separation between wheel and rail.

  17. CFD modeling and experimental verification of a single-stage coaxial Stirling-type pulse tube cryocooler without either double-inlet or multi-bypass operating at 30-35 K using mixed stainless steel mesh regenerator matrices

    NASA Astrophysics Data System (ADS)

    Dang, Haizheng; Zhao, Yibo

    2016-09-01

    This paper presents the CFD modeling and experimental verifications of a single-stage inertance tube coaxial Stirling-type pulse tube cryocooler operating at 30-35 K using mixed stainless steel mesh regenerator matrices without either double-inlet or multi-bypass. A two-dimensional axis-symmetric CFD model with the thermal non-equilibrium mode is developed to simulate the internal process, and the underlying mechanism of significantly reducing the regenerator losses with mixed matrices is discussed in detail based on the given six cases. The modeling also indicates that the combination of the given different mesh segments can be optimized to achieve the highest cooling efficiency or the largest exergy ratio, and then the verification experiments are conducted in which the satisfactory agreements between simulated and tested results are observed. The experiments achieve a no-load temperature of 27.2 K and the cooling power of 0.78 W at 35 K, or 0.29 W at 30 K, with an input electric power of 220 W and a reject temperature of 300 K.

  18. Use of system identification techniques for improving airframe finite element models using test data

    NASA Technical Reports Server (NTRS)

    Hanagud, Sathya V.; Zhou, Weiyu; Craig, James I.; Weston, Neil J.

    1993-01-01

    A method for using system identification techniques to improve airframe finite element models using test data was developed and demonstrated. The method uses linear sensitivity matrices to relate changes in selected physical parameters to changes in the total system matrices. The values for these physical parameters were determined using constrained optimization with singular value decomposition. The method was confirmed using both simple and complex finite element models for which pseudo-experimental data was synthesized directly from the finite element model. The method was then applied to a real airframe model which incorporated all of the complexities and details of a large finite element model and for which extensive test data was available. The method was shown to work, and the differences between the identified model and the measured results were considered satisfactory.

  19. Using Dynamic Multi-Task Non-Negative Matrix Factorization to Detect the Evolution of User Preferences in Collaborative Filtering

    PubMed Central

    Ju, Bin; Qian, Yuntao; Ye, Minchao; Ni, Rong; Zhu, Chenxi

    2015-01-01

    Predicting what items will be selected by a target user in the future is an important function for recommendation systems. Matrix factorization techniques have been shown to achieve good performance on temporal rating-type data, but little is known about temporal item selection data. In this paper, we developed a unified model that combines Multi-task Non-negative Matrix Factorization and Linear Dynamical Systems to capture the evolution of user preferences. Specifically, user and item features are projected into latent factor space by factoring co-occurrence matrices into a common basis item-factor matrix and multiple factor-user matrices. Moreover, we represented both within and between relationships of multiple factor-user matrices using a state transition matrix to capture the changes in user preferences over time. The experiments show that our proposed algorithm outperforms the other algorithms on two real datasets, which were extracted from Netflix movies and Last.fm music. Furthermore, our model provides a novel dynamic topic model for tracking the evolution of the behavior of a user over time. PMID:26270539

  20. Using Dynamic Multi-Task Non-Negative Matrix Factorization to Detect the Evolution of User Preferences in Collaborative Filtering.

    PubMed

    Ju, Bin; Qian, Yuntao; Ye, Minchao; Ni, Rong; Zhu, Chenxi

    2015-01-01

    Predicting what items will be selected by a target user in the future is an important function for recommendation systems. Matrix factorization techniques have been shown to achieve good performance on temporal rating-type data, but little is known about temporal item selection data. In this paper, we developed a unified model that combines Multi-task Non-negative Matrix Factorization and Linear Dynamical Systems to capture the evolution of user preferences. Specifically, user and item features are projected into latent factor space by factoring co-occurrence matrices into a common basis item-factor matrix and multiple factor-user matrices. Moreover, we represented both within and between relationships of multiple factor-user matrices using a state transition matrix to capture the changes in user preferences over time. The experiments show that our proposed algorithm outperforms the other algorithms on two real datasets, which were extracted from Netflix movies and Last.fm music. Furthermore, our model provides a novel dynamic topic model for tracking the evolution of the behavior of a user over time.

  1. Modeling of trim panels in the energy finite element analysis

    NASA Astrophysics Data System (ADS)

    Moravaeji, Seyed-Javid

    Modeling a trim panel is divided into finding the power exchange through two different paths: (i) the connection of the outer and inner panels (ii) through the layers directly. The vibrational power exchanged through the mounts is modeled as the connection of two parallel plates connected via a beam. Wave matrices representing plates and beams are derived separately; then a matrix method is proposed to solve for the wave amplitudes and hence the vibrational power exchange between the plates accordingly. A closed form formula for the case of connection of two identical plates is derived. For the power transmission loss directly through the layers, first transfer matrices representing layers made of different materials is considered. New matrices for a porous layer are derived. A method of finding the layered structure transfer matrix is proposed. It is concluded that in general a single isotropic layer cannot replace a structure accurately. Finally, on the basis of an equivalent transfer matrix, an optimization process for is proposed to replace the panel by a suitable set of layers.

  2. Tensor Dictionary Learning for Positive Definite Matrices.

    PubMed

    Sivalingam, Ravishankar; Boley, Daniel; Morellas, Vassilios; Papanikolopoulos, Nikolaos

    2015-11-01

    Sparse models have proven to be extremely successful in image processing and computer vision. However, a majority of the effort has been focused on sparse representation of vectors and low-rank models for general matrices. The success of sparse modeling, along with popularity of region covariances, has inspired the development of sparse coding approaches for these positive definite descriptors. While in earlier work, the dictionary was formed from all, or a random subset of, the training signals, it is clearly advantageous to learn a concise dictionary from the entire training set. In this paper, we propose a novel approach for dictionary learning over positive definite matrices. The dictionary is learned by alternating minimization between sparse coding and dictionary update stages, and different atom update methods are described. A discriminative version of the dictionary learning approach is also proposed, which simultaneously learns dictionaries for different classes in classification or clustering. Experimental results demonstrate the advantage of learning dictionaries from data both from reconstruction and classification viewpoints. Finally, a software library is presented comprising C++ binaries for all the positive definite sparse coding and dictionary learning approaches presented here.

  3. Progress on a generalized coordinates tensor product finite element 3DPNS algorithm for subsonic

    NASA Technical Reports Server (NTRS)

    Baker, A. J.; Orzechowski, J. A.

    1983-01-01

    A generalized coordinates form of the penalty finite element algorithm for the 3-dimensional parabolic Navier-Stokes equations for turbulent subsonic flows was derived. This algorithm formulation requires only three distinct hypermatrices and is applicable using any boundary fitted coordinate transformation procedure. The tensor matrix product approximation to the Jacobian of the Newton linear algebra matrix statement was also derived. Tne Newton algorithm was restructured to replace large sparse matrix solution procedures with grid sweeping using alpha-block tridiagonal matrices, where alpha equals the number of dependent variables. Numerical experiments were conducted and the resultant data gives guidance on potentially preferred tensor product constructions for the penalty finite element 3DPNS algorithm.

  4. Transient loads analysis for space flight applications

    NASA Technical Reports Server (NTRS)

    Thampi, S. K.; Vidyasagar, N. S.; Ganesan, N.

    1992-01-01

    A significant part of the flight readiness verification process involves transient analysis of the coupled Shuttle-payload system to determine the low frequency transient loads. This paper describes a methodology for transient loads analysis and its implementation for the Spacelab Life Sciences Mission. The analysis is carried out using two major software tools - NASTRAN and an external FORTRAN code called EZTRAN. This approach is adopted to overcome some of the limitations of NASTRAN's standard transient analysis capabilities. The method uses Data Recovery Matrices (DRM) to improve computational efficiency. The mode acceleration method is fully implemented in the DRM formulation to recover accurate displacements, stresses, and forces. The advantages of the method are demonstrated through a numerical example.

  5. Direct S -matrix calculation for diffractive structures and metasurfaces

    NASA Astrophysics Data System (ADS)

    Shcherbakov, Alexey A.; Stebunov, Yury V.; Baidin, Denis F.; Kämpfe, Thomas; Jourlin, Yves

    2018-06-01

    The paper presents a derivation of analytical components of S matrices for arbitrary planar diffractive structures and metasurfaces in the Fourier domain. The attained general formulas for S -matrix components can be applied within both formulations in the Cartesian and curvilinear metric. A numerical method based on these results can benefit from all previous improvements of the Fourier domain methods. In addition, we provide expressions for S -matrix calculation in the case of periodically corrugated layers of two-dimensional materials, which are valid for arbitrary corrugation depth-to-period ratios. As an example, the derived equations are used to simulate resonant grating excitation of graphene plasmons and the impact of a silica interlayer on corresponding reflection curves.

  6. Least-squares solution of incompressible Navier-Stokes equations with the p-version of finite elements

    NASA Technical Reports Server (NTRS)

    Jiang, Bo-Nan; Sonnad, Vijay

    1991-01-01

    A p-version of the least squares finite element method, based on the velocity-pressure-vorticity formulation, is developed for solving steady state incompressible viscous flow problems. The resulting system of symmetric and positive definite linear equations can be solved satisfactorily with the conjugate gradient method. In conjunction with the use of rapid operator application which avoids the formation of either element of global matrices, it is possible to achieve a highly compact and efficient solution scheme for the incompressible Navier-Stokes equations. Numerical results are presented for two-dimensional flow over a backward facing step. The effectiveness of simple outflow boundary conditions is also demonstrated.

  7. Quantum-inspired algorithm for estimating the permanent of positive semidefinite matrices

    NASA Astrophysics Data System (ADS)

    Chakhmakhchyan, L.; Cerf, N. J.; Garcia-Patron, R.

    2017-08-01

    We construct a quantum-inspired classical algorithm for computing the permanent of Hermitian positive semidefinite matrices by exploiting a connection between these mathematical structures and the boson sampling model. Specifically, the permanent of a Hermitian positive semidefinite matrix can be expressed in terms of the expected value of a random variable, which stands for a specific photon-counting probability when measuring a linear-optically evolved random multimode coherent state. Our algorithm then approximates the matrix permanent from the corresponding sample mean and is shown to run in polynomial time for various sets of Hermitian positive semidefinite matrices, achieving a precision that improves over known techniques. This work illustrates how quantum optics may benefit algorithm development.

  8. A generalized spatiotemporal covariance model for stationary background in analysis of MEG data.

    PubMed

    Plis, S M; Schmidt, D M; Jun, S C; Ranken, D M

    2006-01-01

    Using a noise covariance model based on a single Kronecker product of spatial and temporal covariance in the spatiotemporal analysis of MEG data was demonstrated to provide improvement in the results over that of the commonly used diagonal noise covariance model. In this paper we present a model that is a generalization of all of the above models. It describes models based on a single Kronecker product of spatial and temporal covariance as well as more complicated multi-pair models together with any intermediate form expressed as a sum of Kronecker products of spatial component matrices of reduced rank and their corresponding temporal covariance matrices. The model provides a framework for controlling the tradeoff between the described complexity of the background and computational demand for the analysis using this model. Ways to estimate the value of the parameter controlling this tradeoff are also discussed.

  9. Evaluation of polycaprolactone matrices for the intravaginal delivery of metronidazole in the treatment of bacterial vaginosis.

    PubMed

    Pathak, Meenakshi; Turner, Mark; Palmer, Cheryn; Coombes, Allan G A

    2014-09-01

    Microporous, poly (ɛ-caprolactone) (PCL) matrices loaded with the antibacterial, metronidazole were produced by rapidly cooling suspensions of drug powder in PCL solutions in acetone. Drug incorporation in the matrices increased from 2.0% to 10.6% w/w on raising the drug loading of the PCL solution from 5% to 20% w/w measured with respect to the PCL content. Drug loading efficiencies of 40-53% were obtained. Rapid 'burst release' of 35-55% of the metronidazole content was recorded over 24 h when matrices were immersed in simulated vaginal fluid (SVF), due to the presence of large amounts of drug on matrix surface as revealed by Raman microscopy. Gradual release of around 80% of the drug content occurred over the following 12 days. Metronidazole released from PCL matrices in SVF retained antimicrobial activity against Gardnerella vaginalis in vitro at levels up to 97% compared to the free drug. Basic modelling predicted that the concentrations of metronidazole released into vaginal fluid in vivo from a PCL matrix in the form of an intravaginal ring would exceed the minimum inhibitory concentration of metronidazole against G. vaginalis. These findings recommend further investigation of PCL matrices as intravaginal devices for controlled delivery of metronidazole in the treatment and prevention of bacterial vaginosis. © The Author(s) 2014 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

  10. Large Scale Many-Body Perturbation Theory calculations: methodological developments, data collections, validation

    NASA Astrophysics Data System (ADS)

    Govoni, Marco; Galli, Giulia

    Green's function based many-body perturbation theory (MBPT) methods are well established approaches to compute quasiparticle energies and electronic lifetimes. However, their application to large systems - for instance to heterogeneous systems, nanostructured, disordered, and defective materials - has been hindered by high computational costs. We will discuss recent MBPT methodological developments leading to an efficient formulation of electron-electron and electron-phonon interactions, and that can be applied to systems with thousands of electrons. Results using a formulation that does not require the explicit calculation of virtual states, nor the storage and inversion of large dielectric matrices will be presented. We will discuss data collections obtained using the WEST code, the advantages of the algorithms used in WEST over standard techniques, and the parallel performance. Work done in collaboration with I. Hamada, R. McAvoy, P. Scherpelz, and H. Zheng. This work was supported by MICCoM, as part of the Computational Materials Sciences Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division and by ANL.

  11. Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

    PubMed

    Kussmann, Jörg; Ochsenfeld, Christian

    2007-08-07

    Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.

  12. Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

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

    Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

    We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

  13. Fibrin matrices: The versatile therapeutic delivery systems.

    PubMed

    Ahmad, Ejaj; Fatima, Munazza Tamkeen; Hoque, Mehboob; Owais, Mohammad; Saleemuddin, Mohammed

    2015-11-01

    Fibrin sealants, that have been employed for over a century by surgeons to stop post surgery bleeding, are finding novel applications in the controlled delivery of antibiotics and several other therapeutics. Fibrinogen can be easily purified from blood plasma and converted by thrombolysis to fibrin that undergoes spontaneous aggregation to form insoluble clot. During the gelling, fibrin can be formulated into films, clots, threads, microbeads, nanoconstructs and nanoparticles. Whole plasma clots in the form of beads and microparticles can also be prepared by activating endogenous thrombin, for possible drug delivery. Fibrin formulations offer remarkable scope for controlling the porosity as well as in vivo degradability and hence the release of the associated therapeutics. Binding/covalent-linking of therapeutics to the fibrin matrix, crosslinking of the matrix with bifunctional reagents and coentrapment of protease inhibitors have been successful in regulating both in vitro and in vivo release of the therapeutics. The release rates can also be remarkably lowered by preentrapment of therapeutics in insoluble particles like liposomes or by anchoring them to the matrix via molecules that bind them as well as fibrin. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. A simple quantitative approach for the determination of long and medium chain lipids in bio-relevant matrices by high performance liquid chromatography with refractive index detection.

    PubMed

    Lee, Kathy Wai Yu; Porter, Christopher J H; Boyd, Ben J

    2013-09-01

    There is increasing attention in the literature towards understanding the behaviour of lipid-based drug formulations under digestion conditions using in vitro and in vivo methods. This necessitates a convenient method for quantitation of lipids and lipid digestion products. In this study, a simple and accessible method for the separation and quantitative determination of typical formulation and digested lipids using high performance liquid chromatography coupled to refractive index detection (HPLC-RI) is described. Long and medium chain lipids were separated and quantified in a biological matrix (gastrointestinal content) without derivatisation using HPLC-RI on C18 and C8 columns, respectively. The intra- and inter-assay accuracy was between 92% and 106%, and the assays were precise to within a coefficient of variation of less than 10% over the range of 0.1-2 mg/mL for both long and medium chain lipids. This method is also shown to be suitable for quantifying the lipolysis products collected from the gastrointestinal tract in the course of in vivo lipid digestion studies.

  15. Effects of storage conditions on the stability of spray dried, inhalable bacteriophage powders.

    PubMed

    Leung, Sharon S Y; Parumasivam, Thaigarajan; Gao, Fiona G; Carter, Elizabeth A; Carrigy, Nicholas B; Vehring, Reinhard; Finlay, Warren H; Morales, Sandra; Britton, Warwick J; Kutter, Elizabeth; Chan, Hak-Kim

    2017-04-15

    This study aimed to develop inhalable powders containing phages active against antibiotic-resistant Pseudomonas aeruginosa for pulmonary delivery. A Pseudomonas phage, PEV2, was spray dried into powder matrices comprising of trehalose (0-80%), mannitol (0-80%) and l-leucine (20%). The resulting powders were stored at various relative humidity (RH) conditions (0, 22 and 60% RH) at 4°C. The phage stability and in vitro aerosol performance of the phage powders were examined at the time of production and after 1, 3 and 12 months storage. After spray drying, a total of 1.3 log titer reduction in phage was observed in the formulations containing 40%, 60% and 80% trehalose, whereas 2.4 and 5.1 log reductions were noted in the formulations containing 20% and no trehalose, respectively. No further reduction in titer occurred for powders stored at 0 and 22% RH even after 12 months, except the formulation containing no trehalose. The 60% RH storage condition had a destructive effect such that no viable phages were detected after 3 and 12 months. When aerosolised, the total lung doses for formulations containing 40%, 60% and 80% trehalose were similar (in the order of 10 5 pfu). The results demonstrated that spray drying is a suitable method to produce stable phage powders for pulmonary delivery. A powder matrix containing ≥40% trehalose provided good phage preservation and aerosol performances after storage at 0 and 22% RH at 4°C for 12 months. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Inferring Causalities in Landscape Genetics: An Extension of Wright's Causal Modeling to Distance Matrices.

    PubMed

    Fourtune, Lisa; Prunier, Jérôme G; Paz-Vinas, Ivan; Loot, Géraldine; Veyssière, Charlotte; Blanchet, Simon

    2018-04-01

    Identifying landscape features that affect functional connectivity among populations is a major challenge in fundamental and applied sciences. Landscape genetics combines landscape and genetic data to address this issue, with the main objective of disentangling direct and indirect relationships among an intricate set of variables. Causal modeling has strong potential to address the complex nature of landscape genetic data sets. However, this statistical approach was not initially developed to address the pairwise distance matrices commonly used in landscape genetics. Here, we aimed to extend the applicability of two causal modeling methods-that is, maximum-likelihood path analysis and the directional separation test-by developing statistical approaches aimed at handling distance matrices and improving functional connectivity inference. Using simulations, we showed that these approaches greatly improved the robustness of the absolute (using a frequentist approach) and relative (using an information-theoretic approach) fits of the tested models. We used an empirical data set combining genetic information on a freshwater fish species (Gobio occitaniae) and detailed landscape descriptors to demonstrate the usefulness of causal modeling to identify functional connectivity in wild populations. Specifically, we demonstrated how direct and indirect relationships involving altitude, temperature, and oxygen concentration influenced within- and between-population genetic diversity of G. occitaniae.

  17. Analysis of a disk-type piezoelectric ultrasonic motor using impedance matrices.

    PubMed

    Kim, Young H; Ha, Sung K

    2003-12-01

    The dynamic behavior and the performance characteristics of the disk-type traveling wave piezoelectric ultrasonic motors (USM) are analyzed using impedance matrices. The stator is divided into three coupled subsystems: an inner metal disk, a piezoelectric annular actuator with segmented electrodes, and an outer metal disk with teeth. The effects of both shear deformation and rotary inertia are taken into account in deriving an impedance matrix for the piezoelectric actuator. The impedance matrices for each subsystem then are combined into a global impedance matrix using continuity conditions at the interfaces. A comparison is made between the impedance matrix model and the three-dimensional finite element model of the piezoelectric stator, obtaining the resonance and antiresonance frequencies and the effective electromechanical coupling factors versus circumferential mode numbers. Using the calculated resonance frequency and the vibration modes for the stator and a brush model with the Coulomb friction for the stator and rotor contact, stall torque, and no-load speed versus excitation frequencies are calculated at different preloads. Performance characteristics such as speed-torque curve and the output efficiency of the USM also are estimated using the current impedance matrix and the contact model. The present impedance model can be shown to be very effective in the design of the USM.

  18. Estimation of the Earth's gravity field by combining normal equation matrices from GRACE and SLR

    NASA Astrophysics Data System (ADS)

    Haberkorn, Christoph; Bloßfeld, Mathis; Bouman, Johannes

    2014-05-01

    Since 2002, GRACE observes the Earth's gravity field with a spatial resolution up to 150 km. The main goal of this mission is the determination of temporal variations in the Earth's gravity field to detect mass displacements. The GRACE mission consists of two identical satellites, which observe the range along the line of sight of both satellites. GRACE observations can be linked with the Earth's gravitational potential, which is expressed in terms of spherical harmonics for global solutions. However, the estimation of low degree coefficients is difficult with GRACE. In contrast to gravity field missions, which observe the gravity field with high spectral resolution, SLR data allow to estimate the lower degree coefficients. Therefore, the coefficient C20 is often replaced by a value derived from Satellite Laser Ranging (SLR). Instead of replacing C20, it can be determined consistently by a combined estimation using GRACE and SLR data. We compute monthly normal equation (NEQ) matrices for GRACE and SLR. Coefficients from monthly GRACE gravity field models of different institutions (Center for Space Research (CSR), USA, Geoforschungszentrum Potsdam (GFZ), Germany and Jet Propulsion Laboratory (JPL), USA) and coefficients from monthly gravity field models of our SLR processing are then combined using the NEQ matrices from both techniques. We will evaluate several test scenarios with gravity field models from different institutions and with different set ups for the SLR NEQ matrices. The effect of the combination on the estimated gravity field will be analysed and presented.

  19. Tabletted microspheres containing Cynara scolymus (var. Spinoso sardo) extract for the preparation of controlled release nutraceutical matrices.

    PubMed

    Gavini, E; Alamanni, M C; Cossu, M; Giunchedi, P

    2005-08-01

    Controlled release dosage forms based on tabletted microspheres containing fresh artichoke Cynara scolymus extract were performed for the oral administration of a nutritional supplement. Microspheres were prepared using a spray-drying technique; lactose or hypromellose have been chosen as excipients. Microspheres were characterized in terms of encapsulated extract content, size and morphology. Qualitative and quantitative composition of the extract before and after the spray process was determined. Compressed matrices (tablets) were prepared by direct compression of the spray-dried microspheres. In vitro release tests of microparticles and tablets prepared were carried out in both acidic and neutral media. Spray-drying is a good method to prepare microspheres containing the artichoke extract. The microspheres encapsulate an amount of extract close to the theoretical value. Particle size analyses indicate that the microparticles have dvs of approximately 6-7 microm. Electronic microscopy observations reveal that particles based on lactose have spherical shape and particles containing hypromellose are almost collapsed. The hydroalcoholic extract is stable to the microsphere production process: its polyphenolic composition (qualitative and quantitative) did not change after spraying. In vitro release studies show that microparticles characterized by a quick polyphenolic release both in acidic and neutral media due to the high water solubility of the carrier lactose. On the contrary, microspheres based hypromellose release only 20% of the loaded extract at pH 1.2 in 2 h and the total amount of polyphenols is released only after about further 6 h at pH 6.8. Matrices prepared tabletting lactose microspheres and hypromellose microparticles in the weight ratio 1:1 show a slow release rate, that lasts approximately 24 h. This one-a-day sustained release formulation containing Cynara scolymus extract could be proposed as a nutraceutical controlled release dosage form for oral administration.

  20. On the extreme value statistics of normal random matrices and 2D Coulomb gases: Universality and finite N corrections

    NASA Astrophysics Data System (ADS)

    Ebrahimi, R.; Zohren, S.

    2018-03-01

    In this paper we extend the orthogonal polynomials approach for extreme value calculations of Hermitian random matrices, developed by Nadal and Majumdar (J. Stat. Mech. P04001 arXiv:1102.0738), to normal random matrices and 2D Coulomb gases in general. Firstly, we show that this approach provides an alternative derivation of results in the literature. More precisely, we show convergence of the rescaled eigenvalue with largest modulus of a normal Gaussian ensemble to a Gumbel distribution, as well as universality for an arbitrary radially symmetric potential. Secondly, it is shown that this approach can be generalised to obtain convergence of the eigenvalue with smallest modulus and its universality for ring distributions. Most interestingly, the here presented techniques are used to compute all slowly varying finite N correction of the above distributions, which is important for practical applications, given the slow convergence. Another interesting aspect of this work is the fact that we can use standard techniques from Hermitian random matrices to obtain the extreme value statistics of non-Hermitian random matrices resembling the large N expansion used in context of the double scaling limit of Hermitian matrix models in string theory.

  1. Textures of Yukawa coupling matrices in the 2HDM type III

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

    Carcamo, A. E.; Martinez, R.; Rodriguez, J.-Alexis

    2008-07-02

    The quark mass matrices ansatze proposed by Fritzsch, Du-Xing and Fukuyama-Nishiura in the framework of the general two Higgs doublet model are studied. The corresponding Cabbibo-Kobayashi-Maskawa matrix elements are computed in all cases and compared with their experimental values. The complex phases of the anstaze are taken into account and the CP violating phase {delta} is computed. Finally some phenomenology is discussed.

  2. On boundary fusion and functional relations in the Baxterized affine Hecke algebra

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

    Babichenko, A., E-mail: babichen@weizmann.ac.il; Regelskis, V., E-mail: v.regelskis@surrey.ac.uk

    2014-04-15

    We construct boundary type operators satisfying fused reflection equation for arbitrary representations of the Baxterized affine Hecke algebra. These operators are analogues of the fused reflection matrices in solvable half-line spin chain models. We show that these operators lead to a family of commuting transfer matrices of Sklyanin type. We derive fusion type functional relations for these operators for two families of representations.

  3. Effect of water matrices on removal of veterinary pharmaceuticals by nanofiltration and reverse osmosis membranes.

    PubMed

    Dolar, Davor; Vuković, Ana; Asperger, Danijela; Kosutić, Kresimir

    2011-01-01

    This study explored the removal of five veterinary pharmaceuticals (VPs) (sulfamethoxazole (SMETOX), trimethoprim (TMP), ciprofloxacin (CIPRO), dexamethasone (DEXA) and febantel (FEBA)) from different water matrices (Milli-Q water, model water, tap water and real pharmaceutical wastewater using four types of nanofiltration (NF) membranes (NF90, NF270, NF and HL) and two reverse osmosis (RO) membranes (LFC-1 and XLE). All VPs were added to different water matrices at a concentration of 10 mg/L. Rejections of VPs and water flux were measured. The rejection increased with increase of molecular weight. The highest rejections were obtained with RO membranes (LFC-1, XLE) and tight NF (NF90) membrane. In general, the rejection of VPs was higher in model water and tap water than in Milli-Q water, but the water flux was lower. This was mainly explained by ion adsorption inside the membranes pores. Narrower pore size counteracted the effect of presence of low concentration of natural organic matter (NOM) in tap water. The NOM was assumed to enhance the adsorption of VPs onto membrane surface, increased the size exclusion and electrostatic repulsion also appeared during the transport. Investigated water matrices had influence on water flux decline due to their complexity.

  4. Part 3: Solid phase extraction of Russian VX and its chemical attribution signatures in food matrices and their detection by GC-MS and LC-MS.

    PubMed

    Williams, Audrey M; Vu, Alexander K; Mayer, Brian P; Hok, Saphon; Valdez, Carlos A; Alcaraz, Armando

    2018-08-15

    Chemical attribution signatures indicative of O-isobutyl S-(2-diethylaminoethyl) methylphosphonothioate (Russian VX) synthetic routes were investigated in spiked food samples. Attribution signatures were identified using a multifaceted approach: Russian VX was synthesized using six synthetic routes and the chemical attribution signatures identified by GC-MS and LC-MS. Three synthetic routes were then down selected and spiked into complex matrices: bottled water, baby food, milk, liquid eggs, and hot dogs. Sampling and extraction methodologies were developed for these materials and used to isolate the attribution signatures and Russian VX from each matrix. Recoveries greater than 60% were achieved for most signatures in all matrices; some signatures provided recoveries greater than 100%, indicating some degradation during sample preparation. A chemometric model was then developed and validated with the concatenated data from GC-MS and LC-MS analyses of the signatures; the classification results of the model were > 75% for all samples. This work is part three of a three-part series in this issue of the United States-Sweden collaborative efforts towards the understanding of the chemical attribution signatures of Russian VX in crude materials and in food matrices. Copyright © 2018 Elsevier B.V. All rights reserved.

  5. Design and fabrication of thin microvascularised polymer matrices inspired from secondary lamellae of fish gills

    NASA Astrophysics Data System (ADS)

    Kumar, Prasoon; Gandhi, Prasanna S.; Majumder, Mainak

    2016-04-01

    Gills are one of the most primitive gas, solute exchange organs available in fishes. They facilitate exchange of gases, solutes and ions with a surrounding water medium through their functional unit called secondary lamella. These lamellae through their extraordinary morphometric features and peculiar arrangement in gills, achieve remarkable mass transport properties. Therefore, in the current study, modeling and simulation of convection-diffusion transport through a two dimensional model of secondary lamella and theoretical analysis of morphometric features of fish gills were carried out. Such study suggested an evolutionary conservation of parametric ratios across fishes of different weights. Further, we have also fabricated a thin microvascularised PDMS matrices mimicking secondary lamella by use of micro-technologies like electrospinning. In addition, we have also demonstrated the fluid flow by capillary action through these thin microvascularised PDMS matrices. Eventually, we also illustrated the application of these thin microvascularied PDMS matrices in solute exchange process under capillary flow conditions. Thus, our study suggested that fish gills have optimized parameteric ratios, at multiple length scale, throughout an evolution to achieve an organ with enhanced mass transport capabilities. Thus, these defined parametric ratios could be exploited to design and develop efficient, scaled-up gas/solute exchange microdevices. We also proposed an inexpensive and scalable method of fabrication of thin microvascularised polymer matrices and demonstrated its solute exchange capabilities under capillary flow conditions. Thus, mimicking the microstructures of secondary lamella will enable fabrication of microvascularised thin polymer systems through micro manufacturing technologies for potential applications in filtration, self-healing/cooling materials and bioengineering.

  6. A Subspace Approach to the Structural Decomposition and Identification of Ankle Joint Dynamic Stiffness.

    PubMed

    Jalaleddini, Kian; Tehrani, Ehsan Sobhani; Kearney, Robert E

    2017-06-01

    The purpose of this paper is to present a structural decomposition subspace (SDSS) method for decomposition of the joint torque to intrinsic, reflexive, and voluntary torques and identification of joint dynamic stiffness. First, it formulates a novel state-space representation for the joint dynamic stiffness modeled by a parallel-cascade structure with a concise parameter set that provides a direct link between the state-space representation matrices and the parallel-cascade parameters. Second, it presents a subspace method for the identification of the new state-space model that involves two steps: 1) the decomposition of the intrinsic and reflex pathways and 2) the identification of an impulse response model of the intrinsic pathway and a Hammerstein model of the reflex pathway. Extensive simulation studies demonstrate that SDSS has significant performance advantages over some other methods. Thus, SDSS was more robust under high noise conditions, converging where others failed; it was more accurate, giving estimates with lower bias and random errors. The method also worked well in practice and yielded high-quality estimates of intrinsic and reflex stiffnesses when applied to experimental data at three muscle activation levels. The simulation and experimental results demonstrate that SDSS accurately decomposes the intrinsic and reflex torques and provides accurate estimates of physiologically meaningful parameters. SDSS will be a valuable tool for studying joint stiffness under functionally important conditions. It has important clinical implications for the diagnosis, assessment, objective quantification, and monitoring of neuromuscular diseases that change the muscle tone.

  7. A general algorithm using finite element method for aerodynamic configurations at low speeds

    NASA Technical Reports Server (NTRS)

    Balasubramanian, R.

    1975-01-01

    A finite element algorithm for numerical simulation of two-dimensional, incompressible, viscous flows was developed. The Navier-Stokes equations are suitably modelled to facilitate direct solution for the essential flow parameters. A leap-frog time differencing and Galerkin minimization of these model equations yields the finite element algorithm. The finite elements are triangular with bicubic shape functions approximating the solution space. The finite element matrices are unsymmetrically banded to facilitate savings in storage. An unsymmetric L-U decomposition is performed on the finite element matrices to obtain the solution for the boundary value problem.

  8. 3D Weight Matrices in Modeling Real Estate Prices

    NASA Astrophysics Data System (ADS)

    Mimis, A.

    2016-10-01

    Central role in spatial econometric models of real estate data has the definition of the weight matrix by which we capture the spatial dependence between the observations. The weight matrices presented in literature so far, treats space in a two dimensional manner leaving out the effect of the third dimension or in our case the difference in height where the property resides. To overcome this, we propose a new definition of the weight matrix including the third dimensional effect by using the Hadamard product. The results illustrated that the level effect can be absorbed into the new weight matrix.

  9. Yang-Baxter σ -models, conformal twists, and noncommutative Yang-Mills theory

    NASA Astrophysics Data System (ADS)

    Araujo, T.; Bakhmatov, I.; Colgáin, E. Ó.; Sakamoto, J.; Sheikh-Jabbari, M. M.; Yoshida, K.

    2017-05-01

    The Yang-Baxter σ -model is a systematic way to generate integrable deformations of AdS5×S5 . We recast the deformations as seen by open strings, where the metric is undeformed AdS5×S5 with constant string coupling, and all information about the deformation is encoded in the noncommutative (NC) parameter Θ . We identify the deformations of AdS5 as twists of the conformal algebra, thus explaining the noncommutativity. We show that the unimodularity condition on r -matrices for supergravity solutions translates into Θ being divergence-free. Integrability of the σ -model for unimodular r -matrices implies the existence and planar integrability of the dual NC gauge theory.

  10. System identification of analytical models of damped structures

    NASA Technical Reports Server (NTRS)

    Fuh, J.-S.; Chen, S.-Y.; Berman, A.

    1984-01-01

    A procedure is presented for identifying linear nonproportionally damped system. The system damping is assumed to be representable by a real symmetric matrix. Analytical mass, stiffness and damping matrices which constitute an approximate representation of the system are assumed to be available. Given also are an incomplete set of measured natural frequencies, damping ratios and complex mode shapes of the structure, normally obtained from test data. A method is developed to find the smallest changes in the analytical model so that the improved model can exactly predict the measured modal parameters. The present method uses the orthogonality relationship to improve mass and damping matrices and the dynamic equation to find the improved stiffness matrix.

  11. Vibrating Systems with Singular Mass-Inertia Matrices

    NASA Technical Reports Server (NTRS)

    Balakrishnan, A. V.

    1996-01-01

    Vibrating systems with singular mass-inertia matrices arise in recent continuum models of Smart Structures (beams with PZT strips) in assessing the damping attainable with rate feedback. While they do not quite yield 'distributed' controls, we show that they can provide a fixed nonzero lower bound for the damping coefficient at all mode frequencies. The mathematical machinery for modelling the motion involves the theory of Semigroups of Operators. We consider a Timoshenko model for torsion only, a 'smart string,' where the damping coefficient turns out to be a constant at all frequencies. We also observe that the damping increases initially with the feedback gain but decreases to zero eventually as the gain increases without limit.

  12. AMEM-ADL Polymer Migration Estimation Model User's Guide

    EPA Pesticide Factsheets

    The user's guide of the Arthur D. Little Polymer Migration Estimation Model (AMEM) provides the information on how the model estimates the fraction of a chemical additive that diffuses through polymeric matrices.

  13. Equivalent model construction for a non-linear dynamic system based on an element-wise stiffness evaluation procedure and reduced analysis of the equivalent system

    NASA Astrophysics Data System (ADS)

    Kim, Euiyoung; Cho, Maenghyo

    2017-11-01

    In most non-linear analyses, the construction of a system matrix uses a large amount of computation time, comparable to the computation time required by the solving process. If the process for computing non-linear internal force matrices is substituted with an effective equivalent model that enables the bypass of numerical integrations and assembly processes used in matrix construction, efficiency can be greatly enhanced. A stiffness evaluation procedure (STEP) establishes non-linear internal force models using polynomial formulations of displacements. To efficiently identify an equivalent model, the method has evolved such that it is based on a reduced-order system. The reduction process, however, makes the equivalent model difficult to parameterize, which significantly affects the efficiency of the optimization process. In this paper, therefore, a new STEP, E-STEP, is proposed. Based on the element-wise nature of the finite element model, the stiffness evaluation is carried out element-by-element in the full domain. Since the unit of computation for the stiffness evaluation is restricted by element size, and since the computation is independent, the equivalent model can be constructed efficiently in parallel, even in the full domain. Due to the element-wise nature of the construction procedure, the equivalent E-STEP model is easily characterized by design parameters. Various reduced-order modeling techniques can be applied to the equivalent system in a manner similar to how they are applied in the original system. The reduced-order model based on E-STEP is successfully demonstrated for the dynamic analyses of non-linear structural finite element systems under varying design parameters.

  14. Influence of solvent evaporation rate and formulation factors on solid dispersion physical stability.

    PubMed

    Wu, Jian X; Yang, Mingshi; Berg, Frans van den; Pajander, Jari; Rades, Thomas; Rantanen, Jukka

    2011-12-18

    New chemical entities (NCEs) often show poor water solubility necessitating solid dispersion formulation. The aim of the current study is to employ design of experiments in investigating the influence of one critical process factor (solvent evaporation rate) and two formulation factors (PVP:piroxicam ratio (PVP:PRX) and PVP molecular weight (P(MW))) on the physical stability of PRX solid dispersion prepared by the solvent evaporation method. The results showed the rank order of an increase in factors contributing to a decrease in the extent of PRX nucleation being evaporation rate>PVP:PRX>P(MW). The same rank order was found for the decrease in the extent of PRX crystal growth in PVP matrices from day 0 up to day 12. However, after 12days the rank became PVP:PRX>evaporation rate>P(MW). The effects of an increase in evaporation rate and PVP:PRX ratio in stabilizing PRX were of the same order of magnitude, while the effect from P(MW) was much smaller. The findings were confirmed by XRPD. FT-IR showed that PRX recrystallization in the PVP matrix followed Ostwald's step rule, and an increase in the three factors all led to increased hydrogen bonding interaction between PRX and PVP. The present study showed the applicability of the Quality by Design approach in solid dispersion research, and highlights the need for multifactorial analysis. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions

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

    Lu Benzhuo; Holst, Michael J.; Center for Theoretical Biological Physics, University of California San Diego, La Jolla, CA 92093

    2010-09-20

    In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for simulating electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised formore » time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.« less

  16. Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions

    PubMed Central

    Lu, Benzhuo; Holst, Michael J.; McCammon, J. Andrew; Zhou, Y. C.

    2010-01-01

    In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems. PMID:21709855

  17. Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

    PubMed

    Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

    2010-09-20

    In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.

  18. In-vitro activity of sodium-hypochlorite gel on bacteria associated with periodontitis.

    PubMed

    Jurczyk, Karolina; Nietzsche, Sandor; Ender, Claudia; Sculean, Anton; Eick, Sigrun

    2016-11-01

    The aim of the present study was to assess the antimicrobial activity of a sodium hypochlorite formulation including its components against bacteria associated with periodontal disease. Sodium hypochlorite formulation (NaOCl gel), its components sodium hypochlorite (NaOCl), and the activating vehicle were compared with 0.1 % chlorhexidine digluconate (CHX) solution. The antimicrobial activity was proven by determination of minimal inhibitory concentrations (MIC), minimal bactericidal concentrations, and killing assays. Furthermore, the influence on formation as well as on a 4-day-old 6-species biofilm was tested. Except for one strain (Parvimonas micra ATCC 33270 in case of NaOCl gel), the MICs both of the CHX solution and NaOCl gel did not exceed 10 % of the formulations' concentration. In general, MICs of the NaOCl gel were equal as of the CHX solution against Gram-negatives but higher against Gram-positive bacteria. CHX but not NaOCl gel clearly inhibited biofilm formation; however, the activity of NaOCl gel was more remarkable on a 4-day-old biofilm. NaOCl killed bacteria in the biofilm and interfered with the matrix. The NaOCl gel acts antimicrobial in particular against Gram-negative species associated with periodontitis. Moreover, its component NaOCl hypochlorite is able to alter biofilm matrices. The NaOCl gel may represent a potential alternative for adjunctive topical antimicrobial treatment in periodontitis.

  19. Twelve years of succession on sandy substrates in a post-mining landscape: a Markov chain analysis.

    PubMed

    Baasch, Annett; Tischew, Sabine; Bruelheide, Helge

    2010-06-01

    Knowledge of succession rates and pathways is crucial for devising restoration strategies for highly disturbed ecosystems such as surface-mined land. As these processes have often only been described in qualitative terms, we used Markov models to quantify transitions between successional stages. However, Markov models are often considered not attractive for some reasons, such as model assumptions (e.g., stationarity in space and time, or the high expenditure of time required to estimate successional transitions in the field). Here we present a solution for converting multivariate ecological time series into transition matrices and demonstrate the applicability of this approach for a data set that resulted from monitoring the succession of sandy dry grassland in a post-mining landscape. We analyzed five transition matrices, four one-step matrices referring to specific periods of transition (1995-1998, 1998-2001, 2001-2004, 2004-2007), and one matrix for the whole study period (stationary model, 1995-2007). Finally, the stationary model was enhanced to a partly time-variable model. Applying the stationary and the time-variable models, we started a prediction well outside our calibration period, beginning with 100% bare soil in 1974 as the known start of the succession, and generated the coverage of 12 predefined vegetation types in three-year intervals. Transitions among vegetation types changed significantly in space and over time. While the probability of colonization was almost constant over time, the replacement rate tended to increase, indicating that the speed of succession accelerated with time or fluctuations became stronger. The predictions of both models agreed surprisingly well with the vegetation data observed more than two decades later. This shows that our dry grassland succession in a post-mining landscape can be adequately described by comparably simple types of Markov models, although some model assumptions have not been fulfilled and within-plot transitions have not been observed with point exactness. The major achievement of our proposed way to convert vegetation time series into transition matrices is the estimation of probability of events--a strength not provided by other frequently used statistical methods in vegetation science.

  20. Creation of an injectable in situ gelling native extracellular matrix for nucleus pulposus tissue engineering.

    PubMed

    Wachs, Rebecca A; Hoogenboezem, Ella N; Huda, Hammad I; Xin, Shangjing; Porvasnik, Stacy L; Schmidt, Christine E

    2017-03-01

    Disc degeneration is the leading cause of low back pain and is often characterized by a loss of disc height, resulting from cleavage of chondroitin sulfate proteoglycans (CSPGs) present in the nucleus pulposus. Intact CSPGs are critical to water retention and maintenance of the nucleus osmotic pressure. Decellularization of healthy nucleus pulposus tissue has the potential to serve as an ideal matrix for tissue engineering of the disc because of the presence of native disc proteins and CSPGs. Injectable in situ gelling matrices are the most viable therapeutic option to prevent damage to the anulus fibrosus and future disc degeneration. The purpose of this research was to create a gentle decellularization method for use on healthy nucleus pulposus tissue explants and to develop an injectable formulation of this matrix to enable therapeutic use without substantial tissue disruption. Porcine nuclei pulposi were isolated, decellularized, and solubilized. Samples were assessed to determine the degree of cell removal, matrix maintenance, gelation ability, cytotoxic residuals, and native cell viability. Nuclei pulposi were decellularized using serial detergent, buffer, and enzyme treatments. Decellularized nuclei pulposi were solubilized, neutralized, and buffered. The efficacy of decellularization was assessed by quantifying DNA removal and matrix preservation. An elution study was performed to confirm removal of cytotoxic residuals. Gelation kinetics and injectability were quantified. Long-term in vitro experiments were performed with nucleus pulposus cells to ensure cell viability and native matrix production within the injectable decellularized nucleus pulposus matrices. This work resulted in the creation of a robust acellular matrix (>96% DNA removal) with highly preserved sulfated glycosaminoglycans (>47%), and collagen content and microstructure similar to native nucleus pulposus, indicating preservation of disc components. Furthermore, it was possible to create an injectable formulation that gelled in situ within 45 minutes and formed fibrillar collagen with similar diameters to native nucleus pulposus. The processing did not result in any remaining cytotoxic residuals. Solubilized decellularized nucleus pulposus samples seeded with nucleus pulposus cells maintained robust viability (>89%) up to 21 days of culture in vitro, with morphology similar to native nucleus pulposus cells, and exhibited significantly enhanced sulfated glycosaminoglycans production over 21 days. A gentle decellularization of porcine nucleus pulposus followed by solubilization enabled the creation of an injectable tissue-specific matrix that is well tolerated in vitro by nucleus pulposus cells. These matrices have the potential to be used as a minimally invasive nucleus pulposus therapeutic to restore disc height. Copyright © 2016 Elsevier Inc. All rights reserved.

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